| 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 | 38 | Very low | 36.6 | Very low | 247 Ų | 247 | 151.4 Ų | 151.4 | 100% | 1.217 | 82% | 0.817 | S | S | * | * | 0 | 128.7 | 0 | -55.3 | 173.3 | -175.3 | 0 | 0 | 106.6 | |||||
| 2 | S | 37.6 | Very low | 36.2 | Very low | 123 Ų | 123 | 149 Ų | 149 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | cis | -144.8 | 159.7 | -2.7 | -156.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | Q | 38.4 | Very low | 35.9 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | -77.3 | 156 | 167.5 | -61.3 | 174.6 | 0.5 | 0 | 0 | 110.2 | ||||
| 4 | V | 40.6 | Very low | 35.6 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -138.6 | 135.2 | 149.5 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | Q | 37.5 | Very low | 35.5 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -133.9 | 130.5 | -176.1 | 172.7 | -171 | 23.9 | 0 | 0 | 108 | ||||
| 6 | V | 39 | Very low | 35.2 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -152.7 | 121.9 | 167.1 | -171.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 7 | Q | 30.8 | Very low | 34.8 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | cis | 95.5 | 90.6 | 26.8 | -161.7 | 165.5 | 5.3 | 0 | 0 | 115.4 | ||||
| 8 | V | 32 | Very low | 34.5 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 67% | 0.673 | 80% | 0.804 | S | S | * | * | trans | 70.7 | 128.8 | 135.3 | 173.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 9 | Q | 29.7 | Very low | 34.2 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | 164.3 | 134 | 108.5 | -165.4 | 46.4 | 59.4 | 0 | 0 | 113.3 | |||||
| 10 | N | 34.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 153 | 165.1 | -80.8 | -15.6 | 0 | 0 | 0 | 111.3 | ||||
| 11 | P | 44 | Very low | 33.8 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -103.8 | 151.2 | 148.3 | 35 | -27.6 | 0 | 0 | 0 | 112.4 | ||||
| 12 | S | 32.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -135.7 | 144.5 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | A | 32.3 | Very low | 33 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -157.3 | 129.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 14 | A | 32 | Very low | 32.6 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | cis | 69.3 | 129.1 | 40.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 15 | L | 33 | Very low | 32.1 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | cis | -138.2 | 163.3 | 2.2 | -70.3 | 100.8 | 0 | 0 | 0 | 109.2 | ||||
| 16 | S | 30.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 158.2 | 155.9 | 81.1 | -174.1 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 17 | G | 28.5 | Very low | 31.4 | Very low | 57 Ų | 57 | 134.8 Ų | 134.8 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | cis | 141.9 | 126.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | S | 30.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 81.5 | 158 | 174.5 | -32.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 19 | Q | 29.3 | Very low | 31.1 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | 175.3 | 133.3 | -54.4 | -105.7 | -165.6 | 7.4 | 0 | 0 | 108.8 | |||||
| 20 | I | 31.7 | Very low | 31.1 | Very low | 136 Ų | 136 | 135 Ų | 135 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | trans | 56.5 | 120.1 | 142.8 | -50.5 | 167.8 | 0 | 0 | 0 | 120.7 | ||||
| 21 | L | 27.9 | Very low | 32 | Very low | 165 Ų | 165 | 133 Ų | 133 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -164.5 | 168.8 | 115.7 | -137.4 | 96.2 | 0 | 0 | 0 | 114 | |||||
| 22 | N | 30.7 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -136.5 | 136.8 | -166.9 | 173.8 | 21 | 0 | 0 | 0 | 111.3 | ||||
| 23 | K | 28.8 | Very low | 31.2 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 178.2 | 133.8 | 158.2 | -102.4 | 165 | -180 | -179.1 | 0 | 108.1 | ||||
| 24 | N | 28.8 | Very low | 31 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | cis | 96.7 | 143 | 26.8 | -148.7 | -9.6 | 0 | 0 | 0 | 114.1 | ||||
| 25 | Q | 30.9 | Very low | 31 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 75.4 | 130.9 | -169.2 | -62.6 | -175.5 | -17.4 | 0 | 0 | 117.1 | ||||
| 26 | S | 30.3 | Very low | 31.8 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | 102.6 | 133.7 | 15.1 | 77.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 27 | L | 30.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 173.6 | 113 | 145.3 | -90.9 | 167.7 | 0 | 0 | 0 | 107.9 | ||||
| 28 | L | 30.5 | Very low | 31.6 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | 65.5 | 142.2 | 98.2 | -66.3 | -173.1 | 0 | 0 | 0 | 115.2 | |||||
| 29 | S | 27.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -165.2 | 137 | 9 | 37.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | Q | 28.5 | Very low | 31.7 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | 58.1 | 155.4 | 84.1 | -80.2 | -148.5 | 21 | 0 | 0 | 117.4 | |||||
| 31 | P | 53 | Low | 31.6 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | cis | -148.8 | -174.9 | -28.8 | 39.1 | -18.7 | 0 | 0 | 0 | 117.5 | ||||
| 32 | L | 29.5 | Very low | 31.8 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | 90.8 | 154.4 | 138.3 | -108.2 | 150.9 | 0 | 0 | 0 | 124.4 | ||||
| 33 | M | 31.3 | Very low | 32.5 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 91.4 | 157 | 171.7 | -59.1 | -59.8 | -155.1 | 0 | 0 | 119.9 | ||||
| 34 | S | 27.3 | Very low | 32.7 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | -178.7 | 124.9 | -56.1 | -100.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 35 | I | 32.4 | Very low | 32.9 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | 66.8 | 176.2 | 152.3 | -29.5 | 161.6 | 0 | 0 | 0 | 114.6 | ||||
| 36 | P | 49.5 | Very low | 33 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | -136.5 | -173.3 | -97.1 | 46.1 | -29.2 | 0 | 0 | 0 | 118.5 | |||||
| 37 | S | 27.5 | Very low | 33 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 71.1 | 158.3 | 155.1 | -53.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 38 | T | 28.6 | Very low | 32.9 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | cis | -152.5 | 152.6 | 31.4 | 47.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 39 | T | 29.8 | Very low | 32.9 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -0.6 | 141.5 | 146.9 | 62.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 40 | S | 31.1 | Very low | 34 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | -174.7 | 167.9 | 112.7 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 41 | S | 30 | Very low | 34.1 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -156.4 | 140 | -160.9 | 55 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 42 | L | 32 | Very low | 33.1 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 176.3 | 158.8 | -61.6 | 173.4 | 0 | 0 | 0 | 116.2 | ||||
| 43 | P | 45.1 | Very low | 33.1 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -111.2 | 177.4 | -5.7 | 9.9 | 16.9 | 0 | 0 | 0 | 113 | ||||
| 44 | S | 33.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | 100.3 | 146.7 | 31.3 | -160.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 45 | E | 33.1 | Very low | 33.4 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 78.1 | 156 | 172.6 | -66 | -158.9 | 79.4 | 0 | 0 | 121.1 | ||||
| 46 | N | 32.3 | Very low | 33.7 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | cis | -168 | 157.3 | -39.3 | -158.3 | -1.4 | 0 | 0 | 0 | 110.7 | ||||
| 47 | A | 29.9 | Very low | 33.6 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | 42.8 | 135.1 | 154 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 48 | G | 28.5 | Very low | 33.7 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 166.3 | 113.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 49 | R | 31.8 | Very low | 34.1 | Very low | 245 Ų | 245 | 131.9 Ų | 131.9 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -117.1 | -167.8 | -179.9 | -81.9 | -171.4 | 176.9 | -168 | 1.6 | 110.2 | ||||
| 50 | P | 48.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | -135.5 | 168.3 | -56.8 | 38 | -22.7 | 0 | 0 | 0 | 114.4 | |||||
| 51 | I | 31.3 | Very low | 34.4 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -149.2 | 108.2 | 153.7 | -53.4 | -178.5 | 0 | 0 | 0 | 107 | ||||
| 52 | Q | 31.6 | Very low | 34.6 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 68.4 | 102.8 | 73.4 | -79.8 | -162.2 | -13.8 | 0 | 0 | 117.7 | |||||
| 53 | N | 30.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | 171.8 | 106.1 | 130 | -84.6 | -15.2 | 0 | 0 | 0 | 107.7 | |||||
| 54 | S | 32.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | 55.8 | 129.5 | 82.9 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 55 | A | 32 | Very low | 34.2 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | cis | -149.6 | 147.2 | 27.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 56 | L | 38.3 | Very low | 34.4 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -111.6 | 150.6 | 143.8 | -80 | 168.8 | 0 | 0 | 0 | 105.6 | ||||
| 57 | P | 47 | Very low | 34.6 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | -147.2 | -173.4 | 78.7 | 42.4 | -23.2 | 0 | 0 | 0 | 112.4 | |||||
| 58 | S | 29 | Very low | 35.3 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | cis | -146.7 | 162.6 | 5.3 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | A | 38.5 | Very low | 36.2 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -83 | 153.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 60 | S | 30.5 | Very low | 37.3 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -137.7 | 107 | 169.3 | -70.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 61 | I | 35.5 | Very low | 38.8 | Very low | 172 Ų | 172 | 123.7 Ų | 123.7 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | 44 | 119.3 | 154.3 | 56.3 | 172.9 | 0 | 0 | 0 | 120.9 | ||||
| 62 | T | 35.3 | Very low | 41.6 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -69 | 143.9 | 179.1 | -40.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 63 | S | 30.4 | Very low | 44.4 | Very low | 109 Ų | 109 | 112.4 Ų | 112.4 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | trans | -142.4 | 113.2 | 144.3 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 64 | T | 35.5 | Very low | 47.3 | Very low | 138 Ų | 138 | 106.6 Ų | 106.6 | 85% | 0.847 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 24.6 | 97.7 | 151.8 | 16.3 | 0 | 0 | 0 | 0 | 119.4 | ||
| 65 | S | 35.8 | Very low | 50.1 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | trans | 164.5 | 73 | 132.8 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | A67 | S65-A67 PolarHBondContact O-N 2.9Š| ||
| 66 | A | 36.1 | Very low | 53 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 93% | 0.926 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 31.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 67 | A | 38 | Very low | 55.6 | Low | 84 Ų | 84 | 96.5 Ų | 96.5 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 4.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S65 | S65-A67 PolarHBondContact O-N 2.9Š|
| 68 | A | 43.3 | Very low | 57.7 | Low | 58 Ų | 58 | 93.9 Ų | 93.9 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | trans | -90.4 | -18.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S70 I71 | A68-S70 PolarHBondContact O-N 3.37Å; A68-I71 PolarHBondContact O-N 3.38Å | ||
| 69 | E | 49 | Very low | 60.7 | Low | 196 Ų | 196 | 91.3 Ų | 91.3 | 92% | 0.916 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 8.3 | -163.4 | -59.4 | -165.3 | 148 | 0 | 0 | 116.4 | ||
| 70 | S | 54.5 | Low | 63 | Low | 110 Ų | 110 | 88.5 Ų | 88.5 | 77% | 0.769 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -1.6 | 175.7 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | A68 | A68-S70 PolarHBondContact O-N 3.37Š|
| 71 | I | 78.9 | Confident | 65.8 | Low | 95 Ų | 95 | 83.2 Ų | 83.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -97.5 | 118.8 | -178.1 | -56.1 | 178.3 | 0 | 0 | 0 | 109.9 | A68 V75 E76 | A68-I71 PolarHBondContact O-N 3.38Å; I71-V75 HydrophobicContact CG2-CB 4.05Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; I71-E76 HydrophobicContact CG2-CB 4.13Å |
| 72 | T | 89.9 | Confident | 68.3 | Low | 55 Ų | 55 | 82.7 Ų | 82.7 | 34% | 0.337 | 52% | 0.515 | S | S | . | . | trans | -67 | 143.4 | 176.5 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | T74 V75 E76 H150 | T72-T74 PolarHBondContact O-N 2.93Å; T72-T74 PolarHBondContact OG1-OG1 3.01Å; T72-V75 WeakPolarHBondContact O-CB 3.34Å; T72-V75 PolarHBondContact O-N 3.21Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.43Å; T72-E76 PolarHBondContact O-N 3.49Å; T72-H150 WeakPolarHBondContact CB-CE1 3.35Å; T72-H150 VanDerWaalsContact CG2-CE1 3.49Å; T72-H150 WeakPolarHBondContact CG2-CE1 3.17Å; T72-H150 PolarHBondContact OG1-CE1 2.9Å | ||
| 73 | P | 91.4 | Very high | 70.7 | Confident | 42 Ų | 42 | 85 Ų | 85 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55 | -29.8 | -177.5 | -29.7 | 35.8 | 0 | 0 | 0 | 114.9 | L77 A153 A154 L157 | P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 2.94Å; P73-A153 HydrophobicContact CB-CB 4.23Å; P73-A154 HydrophobicContact CB-CB 4.13Å; P73-A154 HydrophobicContact CG-CB 4.4Å; P73-L157 HydrophobicContact CB-CD1 4.16Å; P73-L157 WeakPolarHBondContact O-CD1 3.48Å |
| 74 | T | 91.5 | Very high | 73.1 | Confident | 23 Ų | 23 | 82.8 Ų | 82.8 | 14% | 0.141 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -69.2 | -29.8 | 175.8 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | T72 N78 Y90 K149 H150 A153 | T72-T74 PolarHBondContact O-N 2.93Å; T72-T74 PolarHBondContact OG1-OG1 3.01Å; T74-N78 PolarHBondContact O-N 3.49Å; T74-N78 PolarHBondContact O-ND2 3.06Å; T74-Y90 HydrophobicContact CG2-CE1 4.39Å; T74-K149 HydrophobicContact CG2-CB 4.36Å; T74-H150 WeakPolarHBondContact CG2-ND1 3.2Å; T74-H150 PolarHBondContact OG1-CE1 3.49Å; T74-H150 PolarHBondContact OG1-ND1 3.26Å; T74-H150 VanDerWaalsContact OG1-ND1 3.07Å; T74-A153 HydrophobicContact CG2-CB 3.7Å |
| 75 | V | 92.4 | Very high | 75.5 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78 | -44.4 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | I71 T72 N78 A79 | I71-V75 HydrophobicContact CG2-CB 4.05Å; I71-V75 HydrophobicContact CG2-CG1 3.96Å; T72-V75 WeakPolarHBondContact O-CB 3.34Å; T72-V75 PolarHBondContact O-N 3.21Å; T72-V75 WeakPolarHBondContact OG1-CG2 3.43Å; V75-N78 WeakPolarHBondContact O-CB 3.38Å; V75-N78 PolarHBondContact O-N 3.43Å; V75-A79 PolarHBondContact O-N 3.01Å |
| 76 | E | 92.7 | Very high | 77.9 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.5 | -172.9 | -168.8 | 167.1 | 0 | 0 | 111.2 | I71 T72 N78 A79 L80 L157 Q161 | I71-E76 HydrophobicContact CG2-CB 4.13Å; T72-E76 PolarHBondContact O-N 3.49Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.22Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.16Å; E76-A79 VanDerWaalsContact O-N 3.16Å; E76-L80 PolarHBondContact O-N 3.15Å; E76-L157 HydrophobicContact CB-CD1 3.95Å; E76-L157 HydrophobicContact CB-CD2 4.35Å; E76-L157 HydrophobicContact CG-CD1 4.03Å; E76-L157 HydrophobicContact CG-CD2 3.85Å; E76-L157 WeakPolarHBondContact OE2-CD1 3.42Å; E76-Q161 PolarHBondContact OE1-NE2 3.35Å |
| 77 | L | 92.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 174.2 | -176.1 | 76.8 | 0 | 0 | 0 | 111.7 | P73 A79 L80 C81 P88 Y90 L131 V133 A153 A156 L157 L160 | P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.4Å; P73-L77 PolarHBondContact O-N 2.94Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.07Å; L77-L80 PolarHBondContact O-N 2.83Å; L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.96Å; L77-C81 PolarHBondContact O-SG 3.36Å; L77-P88 HydrophobicContact CD2-CB 4.04Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; L77-L131 HydrophobicContact CD2-CD1 4.19Å; L77-L131 HydrophobicContact CD2-CD2 3.49Å; L77-L131 VanDerWaalsContact CD2-CD2 3.49Å; L77-L131 HydrophobicContact CD2-CG 4.43Å; L77-V133 HydrophobicContact CD2-CG2 4.39Å; L77-A153 HydrophobicContact CB-CB 4.25Å; L77-A153 HydrophobicContact CD2-CB 4.01Å; L77-A156 HydrophobicContact CD1-CB 3.6Å; L77-A156 HydrophobicContact CD2-CB 4.25Å; L77-L157 HydrophobicContact CB-CD1 4.41Å; L77-L157 HydrophobicContact CB-CD2 4.21Å; L77-L157 HydrophobicContact CB-CG 4.05Å; L77-L157 HydrophobicContact CD1-CD2 4.21Å; L77-L157 HydrophobicContact CD1-CG 4.04Å; L77-L160 HydrophobicContact CD1-CD1 3.81Å |
| 78 | N | 91.4 | Very high | 82.9 | Confident | 67 Ų | 67 | 77.7 Ų | 77.7 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 177.6 | -73.2 | -24.8 | 0 | 0 | 0 | 111.2 | T74 V75 E76 C81 M82 P88 | T74-N78 PolarHBondContact O-N 3.49Å; T74-N78 PolarHBondContact O-ND2 3.06Å; V75-N78 WeakPolarHBondContact O-CB 3.38Å; V75-N78 PolarHBondContact O-N 3.43Å; E76-N78 VanDerWaalsContact C-N 3.34Å; E76-N78 PolarHBondContact O-N 3.22Å; N78-C81 PolarHBondContact O-N 2.84Å; N78-M82 VanDerWaalsContact O-CG 3.28Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.49Å; N78-P88 WeakPolarHBondContact OD1-CG 3.31Å |
| 79 | A | 90.8 | Very high | 85.1 | Confident | 60 Ų | 60 | 80 Ų | 80 | 50% | 0.496 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | V75 E76 L77 M82 K83 | V75-A79 PolarHBondContact O-N 3.01Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.16Å; E76-A79 VanDerWaalsContact O-N 3.16Å; L77-A79 VanDerWaalsContact C-N 3.29Å; L77-A79 PolarHBondContact O-N 3.07Å; A79-M82 PolarHBondContact O-N 2.66Å; A79-K83 PolarHBondContact O-N 3.14Å |
| 80 | L | 87.6 | Confident | 87.2 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 16% | 0.162 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.3 | -166.6 | 162.2 | 0 | 0 | 0 | 110.8 | E76 L77 M82 K83 L84 L157 L160 Q161 | E76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 2.83Å; L80-M82 VanDerWaalsContact C-N 3.32Å; L80-M82 PolarHBondContact O-N 3.1Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.4Å; L80-L84 HydrophobicContact CD2-CD1 3.45Å; L80-L84 VanDerWaalsContact CD2-CD1 3.45Å; L80-L84 HydrophobicContact CD2-CG 3.94Å; L80-L84 PolarHBondContact O-N 3.28Å; L80-L157 HydrophobicContact CB-CD2 4.36Å; L80-L157 HydrophobicContact CD1-CD2 3.86Å; L80-L160 HydrophobicContact CD1-CB 4.25Å; L80-L160 HydrophobicContact CD2-CB 3.77Å; L80-L160 HydrophobicContact CD2-CD1 4.46Å; L80-Q161 HydrophobicContact CD1-CG 3.63Å |
| 81 | C | 88.5 | Confident | 89 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 175.7 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | L77 N78 K83 L84 G85 K86 P88 V133 | L77-C81 VanDerWaalsContact O-CB 3.28Å; L77-C81 WeakPolarHBondContact O-CB 3.44Å; L77-C81 PolarHBondContact O-N 2.96Å; L77-C81 PolarHBondContact O-SG 3.36Å; N78-C81 PolarHBondContact O-N 2.84Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 2.96Å; C81-L84 CarbonylContact O-C 3.59Å; C81-L84 PolarHBondContact O-N 3.14Å; C81-G85 PolarHBondContact O-N 3.41Å; C81-K86 CarbonylContact C-O 3.6Å; C81-K86 WeakPolarHBondContact CB-O 3.38Å; C81-K86 PolarHBondContact O-N 3.04Å; C81-K86 VanDerWaalsContact O-O 3.06Å; C81-P88 HydrophobicContact CB-CG 4.33Å; C81-V133 VanDerWaalsContact SG-CG1 3.53Å |
| 82 | M | 88.1 | Confident | 89.4 | Confident | 161 Ų | 161 | 72.6 Ų | 72.6 | 79% | 0.793 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | 174.6 | -72.3 | -179 | 80.8 | 0 | 0 | 112.6 | N78 A79 L80 G85 | N78-M82 VanDerWaalsContact O-CG 3.28Å; N78-M82 WeakPolarHBondContact O-CG 3.43Å; N78-M82 PolarHBondContact O-N 3.49Å; A79-M82 PolarHBondContact O-N 2.66Å; L80-M82 VanDerWaalsContact C-N 3.32Å; L80-M82 PolarHBondContact O-N 3.1Å; M82-G85 PolarHBondContact O-N 3.34Å |
| 83 | K | 86.3 | Confident | 89.2 | Confident | 191 Ų | 191 | 72.3 Ų | 72.3 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.5 | -34.8 | 174.6 | -172.7 | -179.2 | 178.1 | -172.9 | 0 | 112.5 | A79 L80 C81 | A79-K83 PolarHBondContact O-N 3.14Å; L80-K83 WeakPolarHBondContact O-CB 3.39Å; L80-K83 PolarHBondContact O-N 3.4Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 2.96Å |
| 84 | L | 81.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.9 | 177.8 | -64.4 | -175.4 | 0 | 0 | 0 | 114.5 | L80 C81 K86 | L80-L84 HydrophobicContact CD2-CD1 3.45Å; L80-L84 VanDerWaalsContact CD2-CD1 3.45Å; L80-L84 HydrophobicContact CD2-CG 3.94Å; L80-L84 PolarHBondContact O-N 3.28Å; C81-L84 CarbonylContact O-C 3.59Å; C81-L84 PolarHBondContact O-N 3.14Å; L84-K86 HydrophobicContact CB-CD 4.12Å; L84-K86 HydrophobicContact CB-CG 4.12Å; L84-K86 HydrophobicContact CD1-CD 4.2Å; L84-K86 PolarHBondContact O-N 3.36Å |
| 85 | G | 85 | Confident | 86.9 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 75% | 0.753 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 8.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C81 M82 | C81-G85 PolarHBondContact O-N 3.41Å; M82-G85 PolarHBondContact O-N 3.34Å |
| 86 | K | 86.9 | Confident | 85.1 | Confident | 51 Ų | 51 | 82 Ų | 82 | 22% | 0.222 | 43% | 0.428 | C | S | . | . | trans | -87.9 | 154.7 | 178.6 | -62.8 | 174.1 | -177.2 | -177.1 | 0 | 109.3 | C81 L84 V133 E163 | C81-K86 CarbonylContact C-O 3.6Å; C81-K86 WeakPolarHBondContact CB-O 3.38Å; C81-K86 PolarHBondContact O-N 3.04Å; C81-K86 VanDerWaalsContact O-O 3.06Å; L84-K86 HydrophobicContact CB-CD 4.12Å; L84-K86 HydrophobicContact CB-CG 4.12Å; L84-K86 HydrophobicContact CD1-CD 4.2Å; L84-K86 PolarHBondContact O-N 3.36Å; K86-V133 HydrophobicContact CB-CG1 3.98Å; K86-V133 HydrophobicContact CD-CG1 4.35Å; K86-E163 IonicContact NZ-OE1 3.9Å; K86-E163 PolarHBondContact NZ-OE1 3.39Å; K86-E163 IonicContact NZ-OE2 2.7Å; K86-E163 PolarHBondContact NZ-OE2 3.34Å | ||
| 87 | K | 87.7 | Confident | 83.3 | Confident | 173 Ų | 173 | 82.9 Ų | 82.9 | 75% | 0.752 | 44% | 0.443 | S | S | * | . | trans | -117.2 | 126.3 | 174.3 | -176.6 | -180 | 176 | -175.4 | 0 | 110.8 | ||||
| 88 | P | 90.9 | Very high | 81.2 | Confident | 20 Ų | 20 | 94.7 Ų | 94.7 | 13% | 0.13 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.2 | 176.3 | 29.3 | -29.8 | 0 | 0 | 0 | 111.4 | L77 N78 C81 Y90 L131 S132 V133 | L77-P88 HydrophobicContact CD2-CB 4.04Å; N78-P88 WeakPolarHBondContact OD1-CG 3.31Å; C81-P88 HydrophobicContact CB-CG 4.33Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; P88-L131 HydrophobicContact CB-CD1 3.76Å; P88-S132 WeakPolarHBondContact CA-O 3.39Å; P88-V133 HydrophobicContact CB-CG2 4.01Å |
| 89 | M | 90.3 | Very high | 79.2 | Confident | 107 Ų | 107 | 99 Ų | 99 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 115.7 | 179.8 | -170.6 | 71.6 | -94.9 | 0 | 0 | 110.8 | L131 S132 | M89-L131 CarbonylContact O-C 3.51Å; M89-L131 WeakPolarHBondContact O-CA 3.37Å; M89-S132 PolarHBondContact N-O 3.32Å; M89-S132 PolarHBondContact O-N 2.92Å |
| 90 | Y | 92.3 | Very high | 76.9 | Confident | 47 Ų | 47 | 104.9 Ų | 104.9 | 18% | 0.184 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.3 | 179.8 | -58.2 | -95.5 | 0 | 0 | 0 | 111.2 | T74 L77 P88 V129 E130 L131 K149 | T74-Y90 HydrophobicContact CG2-CE1 4.39Å; L77-Y90 WeakPolarHBondContact CD2-OH 3.33Å; P88-Y90 HydrophobicContact CB-CE2 4.25Å; Y90-V129 HydrophobicContact CD1-CG1 4.05Å; Y90-E130 CarbonylContact C-O 3.59Å; Y90-E130 WeakPolarHBondContact CA-O 3.2Å; Y90-L131 HydrophobicContact CD1-CB 4.1Å; Y90-L131 HydrophobicContact CD1-CD1 3.93Å; Y90-L131 HydrophobicContact CD1-CG 4.41Å; Y90-L131 HydrophobicContact CD2-CD1 4.3Å; Y90-L131 HydrophobicContact CE1-CB 4.26Å; Y90-L131 HydrophobicContact CE1-CD1 3.76Å; Y90-L131 HydrophobicContact CE1-CD2 3.96Å; Y90-L131 HydrophobicContact CE1-CG 4.2Å; Y90-L131 HydrophobicContact CE2-CD1 4.12Å; Y90-L131 HydrophobicContact CG-CD1 4.2Å; Y90-K149 HydrophobicContact CD1-CB 4.44Å; Y90-K149 HydrophobicContact CD1-CG 4.14Å; Y90-K149 HydrophobicContact CE1-CB 4.44Å |
| 91 | K | 91.9 | Very high | 74.7 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 47% | 0.474 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.8 | 170.8 | -62.2 | 175 | -173.1 | 162.3 | 0 | 109.5 | V129 E130 | K91-V129 CarbonylContact O-C 3.58Å; K91-V129 WeakPolarHBondContact O-CA 3.36Å; K91-E130 HydrophobicContact CB-CB 4.41Å; K91-E130 PolarHBondContact N-O 2.97Å; K91-E130 IonicContact NZ-OE1 3.06Å; K91-E130 PolarHBondContact NZ-OE1 2.88Å; K91-E130 PolarHBondContact O-N 3.1Å |
| 92 | P | 88 | Confident | 72.8 | Confident | 89 Ų | 89 | 113.5 Ų | 113.5 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.6 | 168.4 | 30.5 | -32.6 | 0 | 0 | 0 | 109.8 | ||
| 93 | V | 86.2 | Confident | 70.6 | Confident | 50 Ų | 50 | 114.6 Ų | 114.6 | 30% | 0.303 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 115 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | Q128 E130 | V93-Q128 HydrophobicContact CB-CB 4.13Å; V93-Q128 HydrophobicContact CB-CG 4.12Å; V93-Q128 HydrophobicContact CG2-CG 4.48Å; V93-Q128 PolarHBondContact N-O 3.22Å; V93-E130 HydrophobicContact CG2-CB 4.06Å |
| 94 | D | 74.4 | Confident | 68.7 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | trans | -76.8 | 130.3 | -178.9 | -76.4 | -40 | 0 | 0 | 0 | 111.2 | Y96 S97 R145 | D94-Y96 PolarHBondContact O-N 3.41Å; D94-S97 PolarHBondContact O-N 3.04Å; D94-R145 IonicContact OD1-NH2 3.33Å | ||
| 95 | P | 60.3 | Low | 67 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -12.1 | -172.3 | 24.3 | -33.3 | 0 | 0 | 0 | 114.6 | ||
| 96 | Y | 54.9 | Low | 65.1 | Low | 167 Ų | 167 | 122.3 Ų | 122.3 | 66% | 0.655 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -2.8 | -178.1 | -81 | -84.6 | 0 | 0 | 0 | 115.3 | D94 R98 M99 | D94-Y96 PolarHBondContact O-N 3.41Å; Y96-R98 PolarHBondContact O-N 3.3Å; Y96-M99 PolarHBondContact O-N 3.04Å |
| 97 | S | 54.5 | Low | 63 | Low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -9.4 | -174.6 | -166.5 | 0 | 0 | 0 | 0 | 115.4 | D94 | D94-S97 PolarHBondContact O-N 3.04Š|
| 98 | R | 49 | Very low | 60.9 | Low | 248 Ų | 248 | 130.9 Ų | 130.9 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 2.5 | 172.5 | -87.6 | -150.7 | -73.7 | -159.1 | -1.6 | 115.3 | Y96 | Y96-R98 PolarHBondContact O-N 3.3Š|
| 99 | M | 48.9 | Very low | 58.4 | Low | 156 Ų | 156 | 134 Ų | 134 | 77% | 0.768 | 67% | 0.669 | S | S | * | * | trans | -112.4 | 55.7 | 172.1 | -70 | -136.1 | 120.6 | 0 | 0 | 112.4 | Y96 S101 | Y96-M99 PolarHBondContact O-N 3.04Å; M99-S101 PolarHBondContact O-N 3.07Å | ||
| 100 | Q | 41.7 | Very low | 56.1 | Low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | -73.1 | 81.7 | 153.8 | -79.7 | -173.1 | -29.5 | 0 | 0 | 108.6 | ||||
| 101 | S | 41 | Very low | 53.8 | Low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | trans | -84.3 | 117.2 | 171.2 | -161.5 | 0 | 0 | 0 | 0 | 109.2 | M99 Y103 | M99-S101 PolarHBondContact O-N 3.07Å; S101-Y103 VanDerWaalsContact C-N 3.28Å; S101-Y103 PolarHBondContact O-N 3.19Å; S101-Y103 VanDerWaalsContact OG-CD2 3.23Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.43Å; S101-Y103 VanDerWaalsContact OG-CE2 3.25Å; S101-Y103 WeakPolarHBondContact OG-CE2 3.32Å | ||
| 102 | T | 49.1 | Very low | 51.4 | Low | 135 Ų | 135 | 140.1 Ų | 140.1 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | trans | -77.2 | 71.9 | -177.5 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 103 | Y | 42.2 | Very low | 49.8 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | trans | -100.1 | 99.9 | 172 | -82.7 | -76.6 | 0 | 0 | 0 | 111.7 | S101 | S101-Y103 VanDerWaalsContact C-N 3.28Å; S101-Y103 PolarHBondContact O-N 3.19Å; S101-Y103 VanDerWaalsContact OG-CD2 3.23Å; S101-Y103 WeakPolarHBondContact OG-CD2 3.43Å; S101-Y103 VanDerWaalsContact OG-CE2 3.25Å; S101-Y103 WeakPolarHBondContact OG-CE2 3.32Å | ||
| 104 | N | 45.8 | Very low | 48 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -65.9 | 130.5 | 155.5 | -91 | -72.6 | 0 | 0 | 0 | 108.7 | ||||
| 105 | Y | 45.3 | Very low | 46.7 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -123.3 | 86.8 | 168.6 | -113 | -86.7 | 0 | 0 | 0 | 110 | ||||
| 106 | N | 46.5 | Very low | 46 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -95.3 | 155 | 154.3 | -86.2 | -35.2 | 0 | 0 | 0 | 108.4 | ||||
| 107 | M | 42.5 | Very low | 45.2 | Very low | 159 Ų | 159 | 156.9 Ų | 156.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 122.8 | -172.6 | -47.2 | -54.3 | 171.9 | 0 | 0 | 113.6 | ||||
| 108 | R | 43 | Very low | 44.6 | Very low | 245 Ų | 245 | 161.2 Ų | 161.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | cis | 89.2 | 96.5 | 32.2 | -164 | -172.7 | -150.3 | -123.2 | 6 | 113.7 | ||||
| 109 | G | 37.9 | Very low | 44.7 | Very low | 84 Ų | 84 | 153.3 Ų | 153.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 105 | 144.2 | 154 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | G | 41.7 | Very low | 44.5 | Very low | 78 Ų | 78 | 155 Ų | 155 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 115.9 | 90.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 111 | A | 44.1 | Very low | 45 | Very low | 91 Ų | 91 | 151.7 Ų | 151.7 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 28.4 | 127.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 112 | Y | 43.2 | Very low | 45.9 | Very low | 223 Ų | 223 | 153.2 Ų | 153.2 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 134.2 | 160 | -75.2 | -83.1 | 0 | 0 | 0 | 120.1 | ||||
| 113 | P | 52.5 | Low | 46.4 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 135.3 | 174.7 | 34.6 | -31.7 | 0 | 0 | 0 | 111.9 | R115 | P113-R115 PolarHBondContact O-N 3.46Š|
| 114 | P | 48.8 | Very low | 47.3 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 126.4 | 164.9 | 29.9 | -31.1 | 0 | 0 | 0 | 110.1 | ||
| 115 | R | 47.9 | Very low | 48.4 | Very low | 220 Ų | 220 | 145 Ų | 145 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 155.7 | 160.5 | -86.2 | -78.1 | -175.5 | 165.4 | -0.7 | 109.1 | P113 | P113-R115 PolarHBondContact O-N 3.46Š|
| 116 | Y | 44.7 | Very low | 50.2 | Low | 209 Ų | 209 | 140.1 Ų | 140.1 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | trans | 78.9 | 113.8 | -179.8 | -57.4 | -79.5 | 0 | 0 | 0 | 113.7 | ||||
| 117 | F | 37.8 | Very low | 52.1 | Low | 173 Ų | 173 | 137.1 Ų | 137.1 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | 102.9 | 133.2 | 82.4 | -164.6 | -145 | 0 | 0 | 0 | 107.4 | |||||
| 118 | Y | 43.7 | Very low | 54.5 | Low | 191 Ų | 191 | 132.7 Ų | 132.7 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | cis | -129.7 | -170.9 | 34.5 | -126.4 | -108.7 | 0 | 0 | 0 | 110.4 | ||||
| 119 | P | 50.4 | Low | 56.9 | Low | 83 Ų | 83 | 121.1 Ų | 121.1 | 54% | 0.539 | 65% | 0.654 | S | S | . | * | trans | -117 | 163.5 | -155.1 | 40.6 | -30.2 | 0 | 0 | 0 | 115.3 | ||||
| 120 | F | 44.6 | Very low | 59.5 | Low | 190 Ų | 190 | 119.4 Ų | 119.4 | 83% | 0.833 | 62% | 0.624 | S | S | * | * | trans | -120 | 124 | 151.3 | -75.9 | -86.7 | 0 | 0 | 0 | 108.5 | V122 | F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.27Å | ||
| 121 | P | 52.3 | Low | 62 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 75% | 0.747 | 59% | 0.585 | S | S | * | * | trans | -62.1 | 104.1 | 162.5 | 26.8 | -30.5 | 0 | 0 | 0 | 106.1 | P123 | P121-P123 WeakPolarHBondContact O-CD 3.36Š| ||
| 122 | V | 59.3 | Low | 64.3 | Low | 111 Ų | 111 | 112.9 Ų | 112.9 | 67% | 0.673 | 56% | 0.56 | S | S | * | * | trans | -58.5 | 112.5 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 106.2 | F120 | F120-V122 VanDerWaalsContact C-N 3.33Å; F120-V122 PolarHBondContact O-N 3.27Å | ||
| 123 | P | 60.7 | Low | 66.5 | Low | 99 Ų | 99 | 102.3 Ų | 102.3 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | trans | -62.1 | 147.5 | -173.4 | 24.4 | -32.8 | 0 | 0 | 0 | 108.9 | P121 L125 | P121-P123 WeakPolarHBondContact O-CD 3.36Å; P123-L125 PolarHBondContact O-N 3.38Å; P123-L125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | P | 61.2 | Low | 67.9 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 73% | 0.734 | 51% | 0.51 | S | S | * | . | trans | -48.3 | 126.3 | -177.3 | -28.6 | 34.6 | 0 | 0 | 0 | 110.7 | L126 | P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.11Å | ||
| 125 | L | 69.1 | Low | 69.5 | Low | 85 Ų | 85 | 96.8 Ų | 96.8 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | trans | -69.1 | 86.7 | -169.1 | -163.3 | 117.2 | 0 | 0 | 0 | 110.7 | P123 Y127 | P123-L125 PolarHBondContact O-N 3.38Å; P123-L125 VanDerWaalsContact O-N 3.15Å; L125-Y127 HydrophobicContact CD2-CD1 4.26Å; L125-Y127 HydrophobicContact CD2-CD2 4.46Å; L125-Y127 HydrophobicContact CD2-CE1 3.63Å; L125-Y127 HydrophobicContact CD2-CE2 3.87Å; L125-Y127 VanDerWaalsContact CD2-CZ 3.41Å; L125-Y127 PolarHBondContact O-N 2.63Å | ||
| 126 | L | 81.8 | Confident | 71.4 | Confident | 97 Ų | 97 | 89.5 Ų | 89.5 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | trans | -76.6 | 108.1 | 179 | -74.4 | 169.6 | 0 | 0 | 0 | 108.9 | P124 | P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.11Å | ||
| 127 | Y | 86.9 | Confident | 73.7 | Confident | 77 Ų | 77 | 86 Ų | 86 | 30% | 0.302 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134 | 170.4 | -63.9 | -82.4 | 0 | 0 | 0 | 109.2 | L125 K141 G142 K143 T144 R145 A148 | L125-Y127 HydrophobicContact CD2-CD1 4.26Å; L125-Y127 HydrophobicContact CD2-CD2 4.46Å; L125-Y127 HydrophobicContact CD2-CE1 3.63Å; L125-Y127 HydrophobicContact CD2-CE2 3.87Å; L125-Y127 VanDerWaalsContact CD2-CZ 3.41Å; L125-Y127 PolarHBondContact O-N 2.63Å; Y127-K141 CarbonylContact O-C 3.57Å; Y127-K141 WeakPolarHBondContact O-CA 3.4Å; Y127-G142 PolarHBondContact N-O 3.35Å; Y127-G142 PolarHBondContact O-N 3.06Å; Y127-K143 WeakPolarHBondContact CE2-O 3.41Å; Y127-T144 VanDerWaalsContact CD2-C 3.45Å; Y127-T144 VanDerWaalsContact CD2-CA 3.45Å; Y127-R145 HydrophobicContact CD1-CG 3.31Å; Y127-R145 HydrophobicContact CD2-CG 4.44Å; Y127-R145 HydrophobicContact CE1-CG 3.68Å; Y127-R145 HydrophobicContact CG-CG 3.73Å; Y127-A148 VanDerWaalsContact O-CB 3.27Å; Y127-A148 WeakPolarHBondContact O-CB 3.34Å |
| 128 | Q | 92.3 | Very high | 76.3 | Confident | 65 Ų | 65 | 78.6 Ų | 78.6 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142 | 173.7 | -174.9 | 167 | -42.4 | 0 | 0 | 110.2 | V93 G140 K141 | V93-Q128 HydrophobicContact CB-CB 4.13Å; V93-Q128 HydrophobicContact CB-CG 4.12Å; V93-Q128 HydrophobicContact CG2-CG 4.48Å; V93-Q128 PolarHBondContact N-O 3.22Å; Q128-G140 CarbonylContact C-O 3.58Å; Q128-G140 WeakPolarHBondContact CA-O 3.44Å; Q128-K141 HydrophobicContact CG-CG 4.38Å; Q128-K141 VanDerWaalsContact OE1-CE 3.29Å |
| 129 | V | 93.2 | Very high | 78.8 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.018 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.7 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 108.6 | Y90 K91 N139 G140 A148 K149 | Y90-V129 HydrophobicContact CD1-CG1 4.05Å; K91-V129 CarbonylContact O-C 3.58Å; K91-V129 WeakPolarHBondContact O-CA 3.36Å; V129-N139 WeakPolarHBondContact O-CA 3.49Å; V129-G140 PolarHBondContact N-O 3.48Å; V129-G140 PolarHBondContact O-N 3.14Å; V129-A148 HydrophobicContact CB-CB 4.22Å; V129-A148 HydrophobicContact CG2-CB 3.71Å; V129-K149 HydrophobicContact CG1-CG 4.05Å; V129-K149 HydrophobicContact CG2-CG 4.09Å |
| 130 | E | 93.5 | Very high | 80.8 | Confident | 48 Ų | 48 | 70 Ų | 70 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134 | 167.9 | -175.3 | -162.4 | 124.8 | 0 | 0 | 108.5 | Y90 K91 V93 F138 | Y90-E130 CarbonylContact C-O 3.59Å; Y90-E130 WeakPolarHBondContact CA-O 3.2Å; K91-E130 HydrophobicContact CB-CB 4.41Å; K91-E130 PolarHBondContact N-O 2.97Å; K91-E130 IonicContact NZ-OE1 3.06Å; K91-E130 PolarHBondContact NZ-OE1 2.88Å; K91-E130 PolarHBondContact O-N 3.1Å; V93-E130 HydrophobicContact CG2-CB 4.06Å; E130-F138 CarbonylContact C-O 3.59Å; E130-F138 WeakPolarHBondContact CA-O 3.24Å |
| 131 | L | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | 175.7 | 163.1 | 62.3 | 0 | 0 | 0 | 108.2 | L77 P88 M89 Y90 V133 Q137 F138 A152 A153 A156 | L77-L131 HydrophobicContact CD2-CD1 4.19Å; L77-L131 HydrophobicContact CD2-CD2 3.49Å; L77-L131 VanDerWaalsContact CD2-CD2 3.49Å; L77-L131 HydrophobicContact CD2-CG 4.43Å; P88-L131 HydrophobicContact CB-CD1 3.76Å; M89-L131 CarbonylContact O-C 3.51Å; M89-L131 WeakPolarHBondContact O-CA 3.37Å; Y90-L131 HydrophobicContact CD1-CB 4.1Å; Y90-L131 HydrophobicContact CD1-CD1 3.93Å; Y90-L131 HydrophobicContact CD1-CG 4.41Å; Y90-L131 HydrophobicContact CD2-CD1 4.3Å; Y90-L131 HydrophobicContact CE1-CB 4.26Å; Y90-L131 HydrophobicContact CE1-CD1 3.76Å; Y90-L131 HydrophobicContact CE1-CD2 3.96Å; Y90-L131 HydrophobicContact CE1-CG 4.2Å; Y90-L131 HydrophobicContact CE2-CD1 4.12Å; Y90-L131 HydrophobicContact CG-CD1 4.2Å; L131-V133 HydrophobicContact CD1-CG2 3.83Å; L131-V133 HydrophobicContact CD2-CG2 4.38Å; L131-V133 HydrophobicContact CG-CG2 4Å; L131-Q137 CarbonylContact O-C 3.57Å; L131-Q137 WeakPolarHBondContact O-CA 3.29Å; L131-F138 HydrophobicContact CB-CB 4.42Å; L131-F138 HydrophobicContact CD2-CD2 4.38Å; L131-F138 HydrophobicContact CG-CD2 4.26Å; L131-F138 PolarHBondContact N-O 2.98Å; L131-F138 PolarHBondContact O-N 3.22Å; L131-A152 HydrophobicContact CB-CB 3.88Å; L131-A152 HydrophobicContact CD2-CB 4.22Å; L131-A152 WeakPolarHBondContact CD2-O 3.26Å; L131-A153 HydrophobicContact CD2-CB 4.49Å; L131-A156 HydrophobicContact CD2-CB 3.59Å |
| 132 | S | 92.4 | Very high | 84.9 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.7 | 170.8 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | P88 M89 Q136 | P88-S132 WeakPolarHBondContact CA-O 3.39Å; M89-S132 PolarHBondContact N-O 3.32Å; M89-S132 PolarHBondContact O-N 2.92Å; S132-Q136 CarbonylContact C-O 3.54Å; S132-Q136 VanDerWaalsContact CA-O 3.24Å; S132-Q136 WeakPolarHBondContact CA-O 3.45Å; S132-Q136 PolarHBondContact OG-O 3.05Å |
| 133 | V | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 113.3 | 174.9 | -170.6 | 0 | 0 | 0 | 0 | 109 | L77 C81 K86 P88 L131 G135 Q136 F138 L160 | L77-V133 HydrophobicContact CD2-CG2 4.39Å; C81-V133 VanDerWaalsContact SG-CG1 3.53Å; K86-V133 HydrophobicContact CB-CG1 3.98Å; K86-V133 HydrophobicContact CD-CG1 4.35Å; P88-V133 HydrophobicContact CB-CG2 4.01Å; L131-V133 HydrophobicContact CD1-CG2 3.83Å; L131-V133 HydrophobicContact CD2-CG2 4.38Å; L131-V133 HydrophobicContact CG-CG2 4Å; V133-G135 VanDerWaalsContact C-N 3.27Å; V133-G135 PolarHBondContact O-N 3.08Å; V133-G135 VanDerWaalsContact O-N 3.16Å; V133-Q136 PolarHBondContact N-O 3.26Å; V133-Q136 PolarHBondContact O-N 3.48Å; V133-F138 HydrophobicContact CB-CE2 4.29Å; V133-F138 HydrophobicContact CG2-CE2 4.24Å; V133-L160 HydrophobicContact CB-CD1 4.1Å; V133-L160 HydrophobicContact CG1-CD1 3.79Å; V133-L160 HydrophobicContact CG2-CD1 4.31Å |
| 134 | G | 80.6 | Confident | 87.7 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 135 | G | 82.8 | Confident | 89 | Confident | 69 Ų | 69 | 65 Ų | 65 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -22.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | V133 | V133-G135 VanDerWaalsContact C-N 3.27Å; V133-G135 PolarHBondContact O-N 3.08Å; V133-G135 VanDerWaalsContact O-N 3.16Å |
| 136 | Q | 88 | Confident | 90 | Very high | 67 Ų | 67 | 66.8 Ų | 66.8 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 149.2 | 173.6 | -59.7 | -177.5 | 12.6 | 0 | 0 | 110.7 | S132 V133 F138 | S132-Q136 CarbonylContact C-O 3.54Å; S132-Q136 VanDerWaalsContact CA-O 3.24Å; S132-Q136 WeakPolarHBondContact CA-O 3.45Å; S132-Q136 PolarHBondContact OG-O 3.05Å; V133-Q136 PolarHBondContact N-O 3.26Å; V133-Q136 PolarHBondContact O-N 3.48Å; Q136-F138 HydrophobicContact CB-CE2 3.81Å; Q136-F138 HydrophobicContact CB-CZ 3.68Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.3Å |
| 137 | Q | 92.9 | Very high | 90.5 | Very high | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 134 | 179.5 | -64.8 | 179.3 | 19.8 | 0 | 0 | 110.6 | L131 | L131-Q137 CarbonylContact O-C 3.57Å; L131-Q137 WeakPolarHBondContact O-CA 3.29Å |
| 138 | F | 93.4 | Very high | 90.8 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132 | -176.7 | -50.3 | -82.4 | 0 | 0 | 0 | 109.8 | E130 L131 V133 Q136 A156 I159 | E130-F138 CarbonylContact C-O 3.59Å; E130-F138 WeakPolarHBondContact CA-O 3.24Å; L131-F138 HydrophobicContact CB-CB 4.42Å; L131-F138 HydrophobicContact CD2-CD2 4.38Å; L131-F138 HydrophobicContact CG-CD2 4.26Å; L131-F138 PolarHBondContact N-O 2.98Å; L131-F138 PolarHBondContact O-N 3.22Å; V133-F138 HydrophobicContact CB-CE2 4.29Å; V133-F138 HydrophobicContact CG2-CE2 4.24Å; Q136-F138 HydrophobicContact CB-CE2 3.81Å; Q136-F138 HydrophobicContact CB-CZ 3.68Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.3Å; F138-A156 HydrophobicContact CB-CB 4.45Å; F138-A156 HydrophobicContact CD1-CB 4.22Å; F138-A156 HydrophobicContact CD2-CB 3.44Å; F138-A156 VanDerWaalsContact CD2-CB 3.44Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CE2-CB 3.55Å; F138-A156 HydrophobicContact CG-CB 3.77Å; F138-A156 HydrophobicContact CZ-CB 3.98Å; F138-I159 HydrophobicContact CD1-CD1 4.12Å; F138-I159 HydrophobicContact CE1-CB 3.95Å; F138-I159 HydrophobicContact CE1-CD1 3.65Å; F138-I159 HydrophobicContact CE1-CG1 4.35Å; F138-I159 HydrophobicContact CE1-CG2 4.08Å; F138-I159 HydrophobicContact CZ-CB 4.4Å; F138-I159 HydrophobicContact CZ-CG2 4.32Å |
| 139 | N | 94.7 | Very high | 90.8 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.5 | 175.6 | 57.3 | 56.9 | 0 | 0 | 0 | 111.3 | V129 K155 | V129-N139 WeakPolarHBondContact O-CA 3.49Å; N139-K155 WeakPolarHBondContact O-CD 3.34Å; N139-K155 PolarHBondContact O-NZ 2.69Å |
| 140 | G | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q128 V129 A148 D151 | Q128-G140 CarbonylContact C-O 3.58Å; Q128-G140 WeakPolarHBondContact CA-O 3.44Å; V129-G140 PolarHBondContact N-O 3.48Å; V129-G140 PolarHBondContact O-N 3.14Å; G140-A148 WeakPolarHBondContact CA-O 3.41Å; G140-D151 WeakPolarHBondContact CA-OD2 3.49Å |
| 141 | K | 93.4 | Very high | 91 | Very high | 112 Ų | 112 | 64.5 Ų | 64.5 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.3 | 176.9 | -64.8 | -176.9 | -178.9 | 179.8 | 0 | 109.9 | Y127 Q128 D151 | Y127-K141 CarbonylContact O-C 3.57Å; Y127-K141 WeakPolarHBondContact O-CA 3.4Å; Q128-K141 HydrophobicContact CG-CG 4.38Å; Q128-K141 VanDerWaalsContact OE1-CE 3.29Å; K141-D151 PolarHBondContact N-OD2 3.36Å |
| 142 | G | 90.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 162.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y127 T144 | Y127-G142 PolarHBondContact N-O 3.35Å; Y127-G142 PolarHBondContact O-N 3.06Å; G142-T144 PolarHBondContact O-N 2.87Å |
| 143 | K | 88.3 | Confident | 91.2 | Very high | 186 Ų | 186 | 63 Ų | 63 | 81% | 0.809 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -64.4 | -16.8 | 176 | -60.9 | -178.5 | -178.8 | 179.9 | 0 | 113.2 | Y127 | Y127-K143 WeakPolarHBondContact CE2-O 3.41Š|
| 144 | T | 90.1 | Very high | 91.4 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -134.6 | 156.9 | 173.3 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | Y127 G142 Q146 A147 A148 | Y127-T144 VanDerWaalsContact CD2-C 3.45Å; Y127-T144 VanDerWaalsContact CD2-CA 3.45Å; G142-T144 PolarHBondContact O-N 2.87Å; T144-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact O-N 3.15Å; T144-A147 PolarHBondContact O-N 2.91Å; T144-A147 VanDerWaalsContact O-N 3.15Å; T144-A147 WeakPolarHBondContact OG1-CB 3.18Å; T144-A147 PolarHBondContact OG1-N 2.89Å; T144-A148 PolarHBondContact O-N 2.87Å |
| 145 | R | 87.6 | Confident | 92 | Very high | 144 Ų | 144 | 65 Ų | 65 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55 | -30.3 | 173.2 | -70.7 | -177.4 | 166 | -178.1 | -7.4 | 112.9 | D94 Y127 K149 | D94-R145 IonicContact OD1-NH2 3.33Å; Y127-R145 HydrophobicContact CD1-CG 3.31Å; Y127-R145 HydrophobicContact CD2-CG 4.44Å; Y127-R145 HydrophobicContact CE1-CG 3.68Å; Y127-R145 HydrophobicContact CG-CG 3.73Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.47Å |
| 146 | Q | 90.5 | Very high | 92.5 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -78.3 | -42.5 | 177.6 | -173.8 | 173.5 | -0.1 | 0 | 0 | 112 | T144 A148 K149 H150 | T144-Q146 PolarHBondContact O-N 3.01Å; T144-Q146 VanDerWaalsContact O-N 3.15Å; Q146-A148 VanDerWaalsContact C-N 3.3Å; Q146-A148 PolarHBondContact O-N 3.37Å; Q146-K149 WeakPolarHBondContact O-CB 3.48Å; Q146-K149 PolarHBondContact O-N 3.46Å; Q146-K149 VanDerWaalsContact O-N 3.15Å; Q146-H150 WeakPolarHBondContact CG-NE2 3.46Å; Q146-H150 PolarHBondContact NE2-NE2 3.4Å; Q146-H150 PolarHBondContact O-CD2 2.95Å; Q146-H150 VanDerWaalsContact O-CD2 3.25Å; Q146-H150 PolarHBondContact O-N 2.71Å |
| 147 | A | 91.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T144 K149 H150 D151 | T144-A147 PolarHBondContact O-N 2.91Å; T144-A147 VanDerWaalsContact O-N 3.15Å; T144-A147 WeakPolarHBondContact OG1-CB 3.18Å; T144-A147 PolarHBondContact OG1-N 2.89Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.5Å; A147-H150 PolarHBondContact O-N 2.97Å; A147-D151 PolarHBondContact O-N 2.52Å |
| 148 | A | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -36.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y127 V129 G140 T144 Q146 A152 | Y127-A148 VanDerWaalsContact O-CB 3.27Å; Y127-A148 WeakPolarHBondContact O-CB 3.34Å; V129-A148 HydrophobicContact CB-CB 4.22Å; V129-A148 HydrophobicContact CG2-CB 3.71Å; G140-A148 WeakPolarHBondContact CA-O 3.41Å; T144-A148 PolarHBondContact O-N 2.87Å; Q146-A148 VanDerWaalsContact C-N 3.3Å; Q146-A148 PolarHBondContact O-N 3.37Å; A148-A152 WeakPolarHBondContact O-CB 3.3Å; A148-A152 PolarHBondContact O-N 2.97Å |
| 149 | K | 93.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 172.4 | -76.6 | 177.8 | 179.6 | -175.3 | 0 | 112.5 | T74 Y90 V129 R145 Q146 A147 A152 A153 | T74-K149 HydrophobicContact CG2-CB 4.36Å; Y90-K149 HydrophobicContact CD1-CB 4.44Å; Y90-K149 HydrophobicContact CD1-CG 4.14Å; Y90-K149 HydrophobicContact CE1-CB 4.44Å; V129-K149 HydrophobicContact CG1-CG 4.05Å; V129-K149 HydrophobicContact CG2-CG 4.09Å; R145-K149 WeakPolarHBondContact O-CG 3.47Å; R145-K149 PolarHBondContact O-N 3.47Å; Q146-K149 WeakPolarHBondContact O-CB 3.48Å; Q146-K149 PolarHBondContact O-N 3.46Å; Q146-K149 VanDerWaalsContact O-N 3.15Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.5Å; K149-A152 PolarHBondContact O-N 3.45Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 3.27Å |
| 150 | H | 95.1 | Very high | 91.5 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 26% | 0.255 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 178.6 | -66.8 | -55.3 | 0 | 0 | 0 | 112.2 | T72 T74 Q146 A147 A153 A154 | T72-H150 WeakPolarHBondContact CB-CE1 3.35Å; T72-H150 VanDerWaalsContact CG2-CE1 3.49Å; T72-H150 WeakPolarHBondContact CG2-CE1 3.17Å; T72-H150 PolarHBondContact OG1-CE1 2.9Å; T74-H150 WeakPolarHBondContact CG2-ND1 3.2Å; T74-H150 PolarHBondContact OG1-CE1 3.49Å; T74-H150 PolarHBondContact OG1-ND1 3.26Å; T74-H150 VanDerWaalsContact OG1-ND1 3.07Å; Q146-H150 WeakPolarHBondContact CG-NE2 3.46Å; Q146-H150 PolarHBondContact NE2-NE2 3.4Å; Q146-H150 PolarHBondContact O-CD2 2.95Å; Q146-H150 VanDerWaalsContact O-CD2 3.25Å; Q146-H150 PolarHBondContact O-N 2.71Å; A147-H150 PolarHBondContact O-N 2.97Å; H150-A153 PolarHBondContact O-N 3.17Å; H150-A154 WeakPolarHBondContact O-CB 3.45Å; H150-A154 PolarHBondContact O-N 2.67Å |
| 151 | D | 94.9 | Very high | 91 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 173 | 178 | 49 | 0 | 0 | 0 | 111.8 | G140 K141 A147 A153 A154 K155 | G140-D151 WeakPolarHBondContact CA-OD2 3.49Å; K141-D151 PolarHBondContact N-OD2 3.36Å; A147-D151 PolarHBondContact O-N 2.52Å; D151-A153 VanDerWaalsContact C-N 3.34Å; D151-A153 PolarHBondContact O-N 3.42Å; D151-A154 PolarHBondContact O-N 3.37Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 WeakPolarHBondContact O-CG 3.3Å; D151-K155 PolarHBondContact O-N 3.07Å; D151-K155 VanDerWaalsContact O-N 3.08Å; D151-K155 VanDerWaalsContact OD1-CE 3.28Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.68Å; D151-K155 PolarHBondContact OD1-NZ 3.44Å; D151-K155 IonicContact OD2-NZ 3.39Å; D151-K155 PolarHBondContact OD2-NZ 3.07Å |
| 152 | A | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 A148 K149 K155 A156 | L131-A152 HydrophobicContact CB-CB 3.88Å; L131-A152 HydrophobicContact CD2-CB 4.22Å; L131-A152 WeakPolarHBondContact CD2-O 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.3Å; A148-A152 PolarHBondContact O-N 2.97Å; K149-A152 PolarHBondContact O-N 3.45Å; A152-K155 PolarHBondContact O-N 3.2Å; A152-A156 PolarHBondContact O-N 2.95Å |
| 153 | A | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P73 T74 L77 L131 K149 H150 D151 K155 A156 L157 | P73-A153 HydrophobicContact CB-CB 4.23Å; T74-A153 HydrophobicContact CG2-CB 3.7Å; L77-A153 HydrophobicContact CB-CB 4.25Å; L77-A153 HydrophobicContact CD2-CB 4.01Å; L131-A153 HydrophobicContact CD2-CB 4.49Å; K149-A153 WeakPolarHBondContact O-CB 3.39Å; K149-A153 PolarHBondContact O-N 3.27Å; H150-A153 PolarHBondContact O-N 3.17Å; D151-A153 VanDerWaalsContact C-N 3.34Å; D151-A153 PolarHBondContact O-N 3.42Å; A153-K155 PolarHBondContact O-N 3.28Å; A153-A156 PolarHBondContact O-N 2.67Å; A153-L157 WeakPolarHBondContact O-CG 3.36Å; A153-L157 PolarHBondContact O-N 3.18Å |
| 154 | A | 94.3 | Very high | 86.9 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P73 H150 D151 L157 R158 | P73-A154 HydrophobicContact CB-CB 4.13Å; P73-A154 HydrophobicContact CG-CB 4.4Å; H150-A154 WeakPolarHBondContact O-CB 3.45Å; H150-A154 PolarHBondContact O-N 2.67Å; D151-A154 PolarHBondContact O-N 3.37Å; A154-L157 PolarHBondContact O-N 2.96Å; A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.09Å |
| 155 | K | 93.5 | Very high | 85.1 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 172.7 | -73.5 | 163.3 | 175.9 | 165.8 | 0 | 112.1 | N139 D151 A152 A153 I159 | N139-K155 WeakPolarHBondContact O-CD 3.34Å; N139-K155 PolarHBondContact O-NZ 2.69Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 WeakPolarHBondContact O-CG 3.3Å; D151-K155 PolarHBondContact O-N 3.07Å; D151-K155 VanDerWaalsContact O-N 3.08Å; D151-K155 VanDerWaalsContact OD1-CE 3.28Å; D151-K155 WeakPolarHBondContact OD1-CE 3.36Å; D151-K155 IonicContact OD1-NZ 2.68Å; D151-K155 PolarHBondContact OD1-NZ 3.44Å; D151-K155 IonicContact OD2-NZ 3.39Å; D151-K155 PolarHBondContact OD2-NZ 3.07Å; A152-K155 PolarHBondContact O-N 3.2Å; A153-K155 PolarHBondContact O-N 3.28Å; K155-I159 PolarHBondContact O-N 3.28Å |
| 156 | A | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L77 L131 F138 A152 A153 I159 L160 | L77-A156 HydrophobicContact CD1-CB 3.6Å; L77-A156 HydrophobicContact CD2-CB 4.25Å; L131-A156 HydrophobicContact CD2-CB 3.59Å; F138-A156 HydrophobicContact CB-CB 4.45Å; F138-A156 HydrophobicContact CD1-CB 4.22Å; F138-A156 HydrophobicContact CD2-CB 3.44Å; F138-A156 VanDerWaalsContact CD2-CB 3.44Å; F138-A156 HydrophobicContact CE1-CB 4.32Å; F138-A156 HydrophobicContact CE2-CB 3.55Å; F138-A156 HydrophobicContact CG-CB 3.77Å; F138-A156 HydrophobicContact CZ-CB 3.98Å; A152-A156 PolarHBondContact O-N 2.95Å; A153-A156 PolarHBondContact O-N 2.67Å; A156-I159 PolarHBondContact O-N 3.42Å; A156-L160 HydrophobicContact CB-CD1 4.34Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.18Å |
| 157 | L | 91.7 | Very high | 80.9 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.1 | -50.7 | 176.3 | -81.6 | 167.3 | 0 | 0 | 0 | 112.6 | P73 E76 L77 L80 A153 A154 I159 L160 Q161 | P73-L157 HydrophobicContact CB-CD1 4.16Å; P73-L157 WeakPolarHBondContact O-CD1 3.48Å; E76-L157 HydrophobicContact CB-CD1 3.95Å; E76-L157 HydrophobicContact CB-CD2 4.35Å; E76-L157 HydrophobicContact CG-CD1 4.03Å; E76-L157 HydrophobicContact CG-CD2 3.85Å; E76-L157 WeakPolarHBondContact OE2-CD1 3.42Å; L77-L157 HydrophobicContact CB-CD1 4.41Å; L77-L157 HydrophobicContact CB-CD2 4.21Å; L77-L157 HydrophobicContact CB-CG 4.05Å; L77-L157 HydrophobicContact CD1-CD2 4.21Å; L77-L157 HydrophobicContact CD1-CG 4.04Å; L80-L157 HydrophobicContact CB-CD2 4.36Å; L80-L157 HydrophobicContact CD1-CD2 3.86Å; A153-L157 WeakPolarHBondContact O-CG 3.36Å; A153-L157 PolarHBondContact O-N 3.18Å; A154-L157 PolarHBondContact O-N 2.96Å; L157-I159 PolarHBondContact O-N 3.09Å; L157-I159 VanDerWaalsContact O-N 3.1Å; L157-L160 PolarHBondContact O-N 3.4Å; L157-Q161 VanDerWaalsContact O-CB 3.27Å; L157-Q161 WeakPolarHBondContact O-CB 3.36Å; L157-Q161 VanDerWaalsContact O-CG 3.22Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.07Å |
| 158 | R | 88.6 | Confident | 78.3 | Confident | 183 Ų | 183 | 77.7 Ų | 77.7 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.2 | -28.4 | -179.8 | -72.2 | 176.3 | -179.1 | 175.7 | 0.5 | 113.8 | A154 N162 | A154-R158 WeakPolarHBondContact O-CG 3.5Å; A154-R158 PolarHBondContact O-N 3.09Å; R158-N162 PolarHBondContact O-ND2 2.89Å |
| 159 | I | 86.4 | Confident | 75.8 | Confident | 90 Ų | 90 | 85 Ų | 85 | 46% | 0.462 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -91.6 | -41.3 | -178.6 | -69.2 | 167.8 | 0 | 0 | 0 | 110.6 | F138 K155 A156 L157 N162 E163 | F138-I159 HydrophobicContact CD1-CD1 4.12Å; F138-I159 HydrophobicContact CE1-CB 3.95Å; F138-I159 HydrophobicContact CE1-CD1 3.65Å; F138-I159 HydrophobicContact CE1-CG1 4.35Å; F138-I159 HydrophobicContact CE1-CG2 4.08Å; F138-I159 HydrophobicContact CZ-CB 4.4Å; F138-I159 HydrophobicContact CZ-CG2 4.32Å; K155-I159 PolarHBondContact O-N 3.28Å; A156-I159 PolarHBondContact O-N 3.42Å; L157-I159 PolarHBondContact O-N 3.09Å; L157-I159 VanDerWaalsContact O-N 3.1Å; I159-N162 PolarHBondContact O-N 2.86Å; I159-E163 PolarHBondContact O-N 2.97Å |
| 160 | L | 82.5 | Confident | 73.3 | Confident | 7 Ų | 7 | 89.5 Ų | 89.5 | 4% | 0.037 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -76.7 | -21 | 179.6 | -64.5 | 168.5 | 0 | 0 | 0 | 114 | L77 L80 V133 A156 L157 N162 E163 | L77-L160 HydrophobicContact CD1-CD1 3.81Å; L80-L160 HydrophobicContact CD1-CB 4.25Å; L80-L160 HydrophobicContact CD2-CB 3.77Å; L80-L160 HydrophobicContact CD2-CD1 4.46Å; V133-L160 HydrophobicContact CB-CD1 4.1Å; V133-L160 HydrophobicContact CG1-CD1 3.79Å; V133-L160 HydrophobicContact CG2-CD1 4.31Å; A156-L160 HydrophobicContact CB-CD1 4.34Å; A156-L160 WeakPolarHBondContact O-CB 3.37Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.18Å; L157-L160 PolarHBondContact O-N 3.4Å; L160-N162 VanDerWaalsContact C-N 3.27Å; L160-E163 WeakPolarHBondContact CD2-OE2 3.28Å |
| 161 | Q | 80.9 | Confident | 70.6 | Confident | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -23.6 | 170.5 | -75.7 | 171.9 | -11.6 | 0 | 0 | 112.4 | E76 L80 L157 | E76-Q161 PolarHBondContact OE1-NE2 3.35Å; L80-Q161 HydrophobicContact CD1-CG 3.63Å; L157-Q161 VanDerWaalsContact O-CB 3.27Å; L157-Q161 WeakPolarHBondContact O-CB 3.36Å; L157-Q161 VanDerWaalsContact O-CG 3.22Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.07Å |
| 162 | N | 71.4 | Confident | 67.8 | Low | 135 Ų | 135 | 97.1 Ų | 97.1 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -99.7 | 2.2 | 179.7 | -64.6 | -14 | 0 | 0 | 0 | 113 | R158 I159 L160 P164 | R158-N162 PolarHBondContact O-ND2 2.89Å; I159-N162 PolarHBondContact O-N 2.86Å; L160-N162 VanDerWaalsContact C-N 3.27Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å |
| 163 | E | 62.5 | Low | 65.3 | Low | 71 Ų | 71 | 100.8 Ų | 100.8 | 33% | 0.332 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -72.8 | 118.2 | 174 | -169.5 | 179.3 | -178.6 | 0 | 0 | 108.5 | K86 I159 L160 | K86-E163 IonicContact NZ-OE1 3.9Å; K86-E163 PolarHBondContact NZ-OE1 3.39Å; K86-E163 IonicContact NZ-OE2 2.7Å; K86-E163 PolarHBondContact NZ-OE2 3.34Å; I159-E163 PolarHBondContact O-N 2.97Å; L160-E163 WeakPolarHBondContact CD2-OE2 3.28Å |
| 164 | P | 53.3 | Low | 62.9 | Low | 107 Ų | 107 | 109.3 Ų | 109.3 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.7 | 178 | 25.3 | -33.3 | 0 | 0 | 0 | 109.6 | N162 | N162-P164 WeakPolarHBondContact O-CD 3.44Š|
| 165 | P | 51.8 | Low | 60.1 | Low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.1 | -177.5 | 26.2 | -34 | 0 | 0 | 0 | 110 | E167 | P165-E167 PolarHBondContact O-N 3.02Š|
| 166 | P | 47.4 | Very low | 57.9 | Low | 101 Ų | 101 | 118 Ų | 118 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131.2 | 172.4 | 26 | -33.4 | 0 | 0 | 0 | 109 | R168 | P166-R168 PolarHBondContact O-N 3.47Š|
| 167 | E | 42.1 | Very low | 55.9 | Low | 187 Ų | 187 | 123.3 Ų | 123.3 | 87% | 0.874 | 63% | 0.632 | S | S | * | * | trans | -55.5 | 101 | -176.2 | -169.9 | 170.7 | -175.2 | 0 | 0 | 110.7 | P165 | P165-E167 PolarHBondContact O-N 3.02Š| ||
| 168 | R | 37.6 | Very low | 53.8 | Low | 226 Ų | 226 | 130.9 Ų | 130.9 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -88.9 | 107.9 | 172.7 | -89.8 | -175.9 | 166 | 171.9 | -4.8 | 108.2 | P166 E170 | P166-R168 PolarHBondContact O-N 3.47Å; R168-E170 PolarHBondContact O-N 2.85Å | ||
| 169 | L | 41.3 | Very low | 52.2 | Low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | trans | -50 | 126 | 163.4 | -65.1 | 172.9 | 0 | 0 | 0 | 109.4 | V171 | L169-V171 PolarHBondContact O-N 3.38Š| ||
| 170 | E | 41.7 | Very low | 50.6 | Low | 190 Ų | 190 | 127.6 Ų | 127.6 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -68.5 | 114.9 | -178.8 | -61.3 | -172 | 146.7 | 0 | 0 | 110.4 | R168 | R168-E170 PolarHBondContact O-N 2.85Š| ||
| 171 | V | 37.8 | Very low | 49.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | trans | -128.3 | 110.4 | 166.7 | 178.6 | 0 | 0 | 0 | 0 | 108.8 | L169 | L169-V171 PolarHBondContact O-N 3.38Š| ||
| 172 | N | 36 | Very low | 48.5 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 136 | 179.2 | -72.5 | -46.6 | 0 | 0 | 0 | 112.9 | ||
| 173 | G | 42.6 | Very low | 48.8 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.6 | 17 | 144.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 174 | R | 44.5 | Very low | 50.1 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 68% | 0.679 | 70% | 0.697 | S | S | * | * | trans | -106.6 | 45.2 | -179 | -67.4 | -166.1 | -173.9 | 156.9 | 2.4 | 116.9 | S176 E177 | R174-S176 VanDerWaalsContact C-N 3.33Å; R174-E177 IonicContact NE-OE2 3.4Å | ||
| 175 | E | 36.7 | Very low | 51.8 | Low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -82.7 | -7.6 | 166.4 | -70.8 | -162.3 | 148.3 | 0 | 0 | 113.8 | ||
| 176 | S | 47.2 | Very low | 53.8 | Low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -91.7 | -11.3 | -170.5 | -66.8 | 0 | 0 | 0 | 0 | 115.8 | R174 N180 | R174-S176 VanDerWaalsContact C-N 3.33Å; S176-N180 PolarHBondContact O-ND2 3.03Å |
| 177 | E | 49 | Very low | 55.9 | Low | 112 Ų | 112 | 125.6 Ų | 125.6 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -95.3 | -35.2 | -166.8 | -57.7 | -165.1 | 128.2 | 0 | 0 | 113.4 | R174 N180 | R174-E177 IonicContact NE-OE2 3.4Å; E177-N180 PolarHBondContact O-N 2.83Å |
| 178 | E | 48.1 | Very low | 58.2 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -74.3 | -35.5 | -172 | -60.7 | -171.1 | 171.9 | 0 | 0 | 114.3 | N180 | E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.04Å |
| 179 | E | 54.3 | Low | 60.8 | Low | 164 Ų | 164 | 108 Ų | 108 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -69.9 | -21.8 | 177.1 | -71.1 | -160.5 | 155.1 | 0 | 0 | 113.1 | ||
| 180 | N | 54.4 | Low | 63.2 | Low | 40 Ų | 40 | 104.9 Ų | 104.9 | 21% | 0.214 | 55% | 0.546 | C | S | . | . | G | 310 helix | trans | -85.3 | -17.9 | -169.9 | -80.5 | -65.1 | 0 | 0 | 0 | 114.7 | S176 E177 E178 N182 K183 | S176-N180 PolarHBondContact O-ND2 3.03Å; E177-N180 PolarHBondContact O-N 2.83Å; E178-N180 VanDerWaalsContact C-N 3.26Å; E178-N180 PolarHBondContact O-N 3.04Å; N180-N182 PolarHBondContact O-N 3.44Å; N180-N182 VanDerWaalsContact O-N 3.13Å; N180-K183 PolarHBondContact O-N 3.42Å; N180-K183 VanDerWaalsContact O-N 3.11Å |
| 181 | L | 57.5 | Low | 65.5 | Low | 152 Ų | 152 | 99.1 Ų | 99.1 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -64.2 | -16.9 | 177.7 | -62.8 | 175.6 | 0 | 0 | 0 | 113.9 | ||
| 182 | N | 62.1 | Low | 67.9 | Low | 153 Ų | 153 | 95.8 Ų | 95.8 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -86.7 | -8.4 | 177.3 | -72.6 | -69.2 | 0 | 0 | 0 | 114 | N180 | N180-N182 PolarHBondContact O-N 3.44Å; N180-N182 VanDerWaalsContact O-N 3.13Å |
| 183 | K | 76.3 | Confident | 70.4 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 40% | 0.4 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -97.5 | 150.3 | 174.8 | -66.2 | 176.7 | -178 | 170.7 | 0 | 109.5 | N180 E191 | N180-K183 PolarHBondContact O-N 3.42Å; N180-K183 VanDerWaalsContact O-N 3.11Å; K183-E191 IonicContact NZ-OE1 3.35Å; K183-E191 IonicContact NZ-OE2 3.11Å; K183-E191 PolarHBondContact NZ-OE2 3.08Å |
| 184 | S | 89.5 | Confident | 72.7 | Confident | 50 Ų | 50 | 90.6 Ų | 90.6 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | trans | -69.6 | 142.4 | 170.6 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | I186 S187 Q188 | S184-I186 PolarHBondContact O-N 3.01Å; S184-S187 WeakPolarHBondContact O-CA 3.22Å; S184-S187 VanDerWaalsContact O-CB 3.28Å; S184-S187 WeakPolarHBondContact O-CB 3.28Å; S184-S187 PolarHBondContact O-N 3.4Å; S184-Q188 PolarHBondContact O-N 3.39Å | ||
| 185 | E | 90.8 | Very high | 74.6 | Confident | 44 Ų | 44 | 88.3 Ų | 88.3 | 21% | 0.206 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55.2 | -37.9 | 178 | -57.5 | 80.8 | 178.3 | 0 | 0 | 111.1 | S187 Q188 V189 K239 I243 L246 | E185-S187 VanDerWaalsContact C-N 3.34Å; E185-S187 PolarHBondContact O-N 3.01Å; E185-Q188 WeakPolarHBondContact O-CB 3.33Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-Q188 VanDerWaalsContact O-N 3.12Å; E185-V189 PolarHBondContact O-N 3.25Å; E185-K239 VanDerWaalsContact CD-CE 3.41Å; E185-K239 VanDerWaalsContact OE1-CE 3.25Å; E185-K239 WeakPolarHBondContact OE1-CE 3.38Å; E185-K239 IonicContact OE1-NZ 2.74Å; E185-K239 PolarHBondContact OE1-NZ 3.11Å; E185-K239 VanDerWaalsContact OE2-CD 3.27Å; E185-K239 WeakPolarHBondContact OE2-CD 3.33Å; E185-K239 VanDerWaalsContact OE2-CE 3.3Å; E185-K239 WeakPolarHBondContact OE2-CE 3.37Å; E185-K239 IonicContact OE2-NZ 2.76Å; E185-K239 PolarHBondContact OE2-NZ 3.24Å; E185-K239 VanDerWaalsContact OE2-NZ 3.11Å; E185-I243 HydrophobicContact CB-CG1 4Å; E185-I243 HydrophobicContact CG-CD1 4.2Å; E185-I243 HydrophobicContact CG-CG1 3.81Å; E185-L246 HydrophobicContact CB-CD1 3.9Å |
| 186 | I | 92.1 | Very high | 76.8 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.205 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 172.6 | -56.5 | 171.2 | 0 | 0 | 0 | 110.6 | S184 Q188 V189 F190 F202 K238 K239 A242 | S184-I186 PolarHBondContact O-N 3.01Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.26Å; I186-V189 PolarHBondContact O-N 3.24Å; I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 HydrophobicContact CG2-CE2 3.87Å; I186-F190 VanDerWaalsContact O-CD2 3.23Å; I186-F190 WeakPolarHBondContact O-CD2 3.37Å; I186-F190 PolarHBondContact O-N 2.86Å; I186-F202 HydrophobicContact CG2-CE2 4.27Å; I186-F202 HydrophobicContact CG2-CZ 3.95Å; I186-K238 HydrophobicContact CD1-CB 4.05Å; I186-K239 HydrophobicContact CD1-CB 4.42Å; I186-A242 HydrophobicContact CB-CB 4.49Å; I186-A242 HydrophobicContact CG1-CB 3.98Å |
| 187 | S | 91.9 | Very high | 78.7 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 46% | 0.462 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.9 | -32.1 | 177.5 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | S184 E185 F190 E191 | S184-S187 WeakPolarHBondContact O-CA 3.22Å; S184-S187 VanDerWaalsContact O-CB 3.28Å; S184-S187 WeakPolarHBondContact O-CB 3.28Å; S184-S187 PolarHBondContact O-N 3.4Å; E185-S187 VanDerWaalsContact C-N 3.34Å; E185-S187 PolarHBondContact O-N 3.01Å; S187-F190 PolarHBondContact O-N 3.07Å; S187-E191 WeakPolarHBondContact O-CB 3.41Å; S187-E191 PolarHBondContact O-N 3.09Å |
| 188 | Q | 91.3 | Very high | 80.6 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 175.8 | -165.9 | 176.4 | 26.6 | 0 | 0 | 111.7 | S184 E185 I186 E191 I192 L246 | S184-Q188 PolarHBondContact O-N 3.39Å; E185-Q188 WeakPolarHBondContact O-CB 3.33Å; E185-Q188 PolarHBondContact O-N 2.92Å; E185-Q188 VanDerWaalsContact O-N 3.12Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 3.26Å; Q188-E191 PolarHBondContact O-N 2.94Å; Q188-I192 HydrophobicContact CG-CD1 4.09Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 3.4Å; Q188-L246 HydrophobicContact CB-CD1 4.27Å; Q188-L246 HydrophobicContact CB-CD2 4.13Å; Q188-L246 HydrophobicContact CG-CD2 3.9Å |
| 189 | V | 91.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.7 | -51.6 | 171.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | E185 I186 E191 I192 A193 V200 V222 A242 L246 | E185-V189 PolarHBondContact O-N 3.25Å; I186-V189 PolarHBondContact O-N 3.24Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 3.47Å; V189-I192 PolarHBondContact O-N 3.37Å; V189-A193 VanDerWaalsContact O-CB 3.25Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.08Å; V189-V200 HydrophobicContact CG1-CG1 4.27Å; V189-V200 HydrophobicContact CG1-CG2 4.44Å; V189-V222 HydrophobicContact CG1-CG2 3.59Å; V189-A242 HydrophobicContact CG2-CB 3.8Å; V189-A242 WeakPolarHBondContact CG2-O 3.48Å; V189-L246 HydrophobicContact CG2-CD1 4.22Å; V189-L246 HydrophobicContact CG2-CD2 3.75Å; V189-L246 HydrophobicContact CG2-CG 3.57Å |
| 190 | F | 91.5 | Very high | 84.5 | Confident | 88 Ų | 88 | 71 Ų | 71 | 39% | 0.386 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 177.7 | -78.8 | -71.5 | 0 | 0 | 0 | 112.6 | I186 S187 L194 V200 F202 | I186-F190 HydrophobicContact CG2-CD2 4.08Å; I186-F190 HydrophobicContact CG2-CE2 3.87Å; I186-F190 VanDerWaalsContact O-CD2 3.23Å; I186-F190 WeakPolarHBondContact O-CD2 3.37Å; I186-F190 PolarHBondContact O-N 2.86Å; S187-F190 PolarHBondContact O-N 3.07Å; F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.16Å; F190-L194 WeakPolarHBondContact O-CD1 3.49Å; F190-L194 VanDerWaalsContact O-CG 3.22Å; F190-L194 WeakPolarHBondContact O-CG 3.49Å; F190-L194 PolarHBondContact O-N 3.1Å; F190-V200 HydrophobicContact CD1-CB 3.98Å; F190-V200 HydrophobicContact CD1-CG1 4.15Å; F190-V200 HydrophobicContact CD1-CG2 4.05Å; F190-V200 HydrophobicContact CE1-CB 3.63Å; F190-V200 HydrophobicContact CE1-CG1 3.67Å; F190-V200 HydrophobicContact CE1-CG2 4.23Å; F190-V200 HydrophobicContact CZ-CB 4.33Å; F190-V200 HydrophobicContact CZ-CG1 3.88Å; F190-F202 HydrophobicContact CD2-CE2 4.46Å; F190-F202 HydrophobicContact CE2-CD2 4.22Å; F190-F202 AromaticContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CZ 4.46Å; F190-F202 AromaticContact CZ-CD2 3.97Å; F190-F202 HydrophobicContact CZ-CD2 3.97Å; F190-F202 AromaticContact CZ-CE2 3.67Å; F190-F202 HydrophobicContact CZ-CE2 3.67Å |
| 191 | E | 90.8 | Very high | 86.4 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 178.1 | -161.4 | -169.9 | 122.1 | 0 | 0 | 112.3 | K183 S187 Q188 V189 K195 | K183-E191 IonicContact NZ-OE1 3.35Å; K183-E191 IonicContact NZ-OE2 3.11Å; K183-E191 PolarHBondContact NZ-OE2 3.08Å; S187-E191 WeakPolarHBondContact O-CB 3.41Å; S187-E191 PolarHBondContact O-N 3.09Å; Q188-E191 PolarHBondContact O-N 2.94Å; V189-E191 VanDerWaalsContact C-N 3.33Å; V189-E191 PolarHBondContact O-N 3.47Å; E191-K195 WeakPolarHBondContact O-CD 3.49Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 WeakPolarHBondContact OE1-CE 3.36Å; E191-K195 IonicContact OE1-NZ 3.63Å; E191-K195 PolarHBondContact OE1-NZ 3.07Å |
| 192 | I | 88 | Confident | 88.2 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.195 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.8 | -43.5 | 177.4 | -66.4 | 167.5 | 0 | 0 | 0 | 110.9 | Q188 V189 L194 K195 R196 L246 L249 | Q188-I192 HydrophobicContact CG-CD1 4.09Å; Q188-I192 WeakPolarHBondContact O-CG1 3.42Å; Q188-I192 PolarHBondContact O-N 3.4Å; V189-I192 PolarHBondContact O-N 3.37Å; I192-L194 PolarHBondContact O-N 2.86Å; I192-K195 WeakPolarHBondContact O-CB 3.39Å; I192-K195 PolarHBondContact O-N 3.36Å; I192-K195 VanDerWaalsContact O-N 3.12Å; I192-R196 PolarHBondContact O-N 2.8Å; I192-L246 HydrophobicContact CD1-CD2 3.75Å; I192-L249 HydrophobicContact CB-CD1 4.46Å; I192-L249 HydrophobicContact CG2-CB 4.33Å; I192-L249 HydrophobicContact CG2-CD1 4.08Å; I192-L249 HydrophobicContact CG2-CD2 4.41Å |
| 193 | A | 88.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V189 K195 R196 N197 L198 V200 V222 | V189-A193 VanDerWaalsContact O-CB 3.25Å; V189-A193 WeakPolarHBondContact O-CB 3.33Å; V189-A193 PolarHBondContact O-N 3.08Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.39Å; A193-R196 CarbonylContact O-C 3.55Å; A193-R196 PolarHBondContact O-N 2.98Å; A193-N197 CarbonylContact O-C 3.52Å; A193-N197 WeakPolarHBondContact O-CA 3.38Å; A193-N197 PolarHBondContact O-N 3.26Å; A193-L198 HydrophobicContact CB-CB 4.41Å; A193-L198 PolarHBondContact O-N 3.45Å; A193-V200 HydrophobicContact CB-CG2 3.22Å; A193-V222 HydrophobicContact CB-CG1 3.82Å |
| 194 | L | 89.4 | Confident | 90.6 | Very high | 125 Ų | 125 | 62.3 Ų | 62.3 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -31.9 | 173.4 | -74.6 | 168.6 | 0 | 0 | 0 | 113.3 | F190 I192 | F190-L194 VanDerWaalsContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CB 3.16Å; F190-L194 WeakPolarHBondContact O-CD1 3.49Å; F190-L194 VanDerWaalsContact O-CG 3.22Å; F190-L194 WeakPolarHBondContact O-CG 3.49Å; F190-L194 PolarHBondContact O-N 3.1Å; I192-L194 PolarHBondContact O-N 2.86Å |
| 195 | K | 85.6 | Confident | 90.8 | Very high | 132 Ų | 132 | 62.3 Ų | 62.3 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.4 | -34.9 | 173.8 | -73 | 168 | -169.8 | 165.8 | 0 | 112.6 | E191 I192 A193 | E191-K195 WeakPolarHBondContact O-CD 3.49Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 2.77Å; E191-K195 WeakPolarHBondContact OE1-CE 3.36Å; E191-K195 IonicContact OE1-NZ 3.63Å; E191-K195 PolarHBondContact OE1-NZ 3.07Å; I192-K195 WeakPolarHBondContact O-CB 3.39Å; I192-K195 PolarHBondContact O-N 3.36Å; I192-K195 VanDerWaalsContact O-N 3.12Å; A193-K195 VanDerWaalsContact C-N 3.3Å; A193-K195 PolarHBondContact O-N 3.39Å |
| 196 | R | 83.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 67.8 Ų | 67.8 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -88.6 | -0.2 | 176.6 | -65.5 | -167.4 | 165 | 142.8 | -4.1 | 113.6 | I192 A193 L198 L249 L252 P253 L255 | I192-R196 PolarHBondContact O-N 2.8Å; A193-R196 CarbonylContact O-C 3.55Å; A193-R196 PolarHBondContact O-N 2.98Å; R196-L198 HydrophobicContact CB-CD1 4.06Å; R196-L198 HydrophobicContact CB-CG 3.89Å; R196-L198 PolarHBondContact O-N 2.59Å; R196-L249 PolarHBondContact NH1-O 2.95Å; R196-L249 PolarHBondContact NH2-O 2.81Å; R196-L252 PolarHBondContact NH2-O 2.82Å; R196-P253 PolarHBondContact NH2-O 2.85Å; R196-L255 HydrophobicContact CB-CD1 4.3Å; R196-L255 HydrophobicContact CG-CD1 3.83Å |
| 197 | N | 85.6 | Confident | 90.9 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.1 | -171.4 | -51.9 | -64.6 | 0 | 0 | 0 | 114.3 | A193 | A193-N197 CarbonylContact O-C 3.52Å; A193-N197 WeakPolarHBondContact O-CA 3.38Å; A193-N197 PolarHBondContact O-N 3.26Å |
| 198 | L | 88.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | trans | -90.2 | 137.3 | 177.2 | -60.8 | 178.6 | 0 | 0 | 0 | 110.9 | A193 R196 V222 L249 | A193-L198 HydrophobicContact CB-CB 4.41Å; A193-L198 PolarHBondContact O-N 3.45Å; R196-L198 HydrophobicContact CB-CD1 4.06Å; R196-L198 HydrophobicContact CB-CG 3.89Å; R196-L198 PolarHBondContact O-N 2.59Å; L198-V222 HydrophobicContact CB-CG1 4.11Å; L198-V222 HydrophobicContact CD1-CG1 4.2Å; L198-L249 HydrophobicContact CD1-CD2 4.47Å | ||
| 199 | P | 91.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 70.4 Ų | 70.4 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | trans | -71.1 | 146.1 | 172.2 | 30.7 | -34.3 | 0 | 0 | 0 | 110.6 | V222 G223 | P199-V222 CarbonylContact O-C 3.45Å; P199-V222 WeakPolarHBondContact O-CA 3.48Å; P199-G223 PolarHBondContact O-N 3.12Å | ||
| 200 | V | 94.1 | Very high | 90.6 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 21% | 0.212 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.3 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | V189 F190 A193 F202 V220 S221 V222 | V189-V200 HydrophobicContact CG1-CG1 4.27Å; V189-V200 HydrophobicContact CG1-CG2 4.44Å; F190-V200 HydrophobicContact CD1-CB 3.98Å; F190-V200 HydrophobicContact CD1-CG1 4.15Å; F190-V200 HydrophobicContact CD1-CG2 4.05Å; F190-V200 HydrophobicContact CE1-CB 3.63Å; F190-V200 HydrophobicContact CE1-CG1 3.67Å; F190-V200 HydrophobicContact CE1-CG2 4.23Å; F190-V200 HydrophobicContact CZ-CB 4.33Å; F190-V200 HydrophobicContact CZ-CG1 3.88Å; A193-V200 HydrophobicContact CB-CG2 3.22Å; V200-F202 HydrophobicContact CG1-CD2 3.88Å; V200-F202 HydrophobicContact CG1-CE2 3.49Å; V200-F202 VanDerWaalsContact CG1-CE2 3.49Å; V200-F202 HydrophobicContact CG1-CZ 4.41Å; V200-V220 HydrophobicContact CG1-CG2 4.24Å; V200-S221 WeakPolarHBondContact CA-O 3.4Å; V200-V222 HydrophobicContact CG1-CG2 4.13Å; V200-V222 HydrophobicContact CG2-CG1 4.15Å; V200-V222 HydrophobicContact CG2-CG2 4.14Å |
| 201 | N | 94.3 | Very high | 90.4 | Very high | 90 Ų | 90 | 74.9 Ų | 74.9 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.2 | 173.3 | -174.8 | 24.3 | 0 | 0 | 0 | 110.9 | V220 S221 | N201-V220 VanDerWaalsContact O-CA 3.27Å; N201-V220 WeakPolarHBondContact O-CA 3.41Å; N201-V220 WeakPolarHBondContact O-CG2 3.48Å; N201-S221 PolarHBondContact N-O 3.4Å; N201-S221 PolarHBondContact O-N 3.23Å |
| 202 | F | 94.4 | Very high | 90 | Very high | 34 Ų | 34 | 78.9 Ų | 78.9 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 103.4 | 178.7 | -79.9 | -90.4 | 0 | 0 | 0 | 110.3 | I186 F190 V200 T218 V220 K238 A242 | I186-F202 HydrophobicContact CG2-CE2 4.27Å; I186-F202 HydrophobicContact CG2-CZ 3.95Å; F190-F202 HydrophobicContact CD2-CE2 4.46Å; F190-F202 HydrophobicContact CE2-CD2 4.22Å; F190-F202 AromaticContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CE2 3.56Å; F190-F202 HydrophobicContact CE2-CZ 4.46Å; F190-F202 AromaticContact CZ-CD2 3.97Å; F190-F202 HydrophobicContact CZ-CD2 3.97Å; F190-F202 AromaticContact CZ-CE2 3.67Å; F190-F202 HydrophobicContact CZ-CE2 3.67Å; V200-F202 HydrophobicContact CG1-CD2 3.88Å; V200-F202 HydrophobicContact CG1-CE2 3.49Å; V200-F202 VanDerWaalsContact CG1-CE2 3.49Å; V200-F202 HydrophobicContact CG1-CZ 4.41Å; F202-T218 HydrophobicContact CD1-CG2 4.18Å; F202-V220 HydrophobicContact CD1-CB 3.68Å; F202-V220 HydrophobicContact CD1-CG2 3.77Å; F202-V220 HydrophobicContact CD2-CG2 4.1Å; F202-V220 HydrophobicContact CE1-CB 3.66Å; F202-V220 HydrophobicContact CE1-CG1 4.31Å; F202-V220 HydrophobicContact CE1-CG2 3.52Å; F202-V220 HydrophobicContact CE2-CG2 3.86Å; F202-V220 HydrophobicContact CG-CB 4.29Å; F202-V220 HydrophobicContact CG-CG2 4.05Å; F202-V220 HydrophobicContact CZ-CB 4.24Å; F202-V220 HydrophobicContact CZ-CG2 3.56Å; F202-K238 HydrophobicContact CD1-CG 4.21Å; F202-A242 HydrophobicContact CE1-CB 4.29Å; F202-A242 HydrophobicContact CZ-CB 4.28Å |
| 203 | E | 95.1 | Very high | 89.9 | Confident | 77 Ų | 77 | 83.9 Ų | 83.9 | 36% | 0.36 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.9 | 177.6 | 66.5 | -172.3 | 173.3 | 0 | 0 | 111.4 | A205 T218 K219 | E203-A205 PolarHBondContact O-N 3.22Å; E203-T218 CarbonylContact O-C 3.58Å; E203-T218 VanDerWaalsContact O-CA 3.31Å; E203-T218 WeakPolarHBondContact O-CA 3.22Å; E203-T218 WeakPolarHBondContact O-CG2 3.48Å; E203-K219 HydrophobicContact CG-CB 3.79Å; E203-K219 HydrophobicContact CG-CG 4.28Å; E203-K219 PolarHBondContact N-O 2.85Å; E203-K219 PolarHBondContact O-N 3.29Å; E203-K219 VanDerWaalsContact O-O 3.09Å; E203-K219 WeakPolarHBondContact OE1-CD 3.46Å; E203-K219 WeakPolarHBondContact OE1-CE 3.4Å; E203-K219 WeakPolarHBondContact OE1-CG 3.27Å; E203-K219 IonicContact OE1-NZ 3.98Å; E203-K219 PolarHBondContact OE1-NZ 3.09Å |
| 204 | V | 94.7 | Very high | 90 | Very high | 53 Ų | 53 | 88 Ų | 88 | 32% | 0.321 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 99 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | E207 V217 | V204-E207 HydrophobicContact CG1-CG 3.85Å; V204-V217 CarbonylContact C-O 3.49Å |
| 205 | A | 92.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 84.1 Ų | 84.1 | 41% | 0.405 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -38 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E203 V217 K219 | E203-A205 PolarHBondContact O-N 3.22Å; A205-V217 PolarHBondContact N-O 3.05Å; A205-K219 HydrophobicContact CB-CB 4.33Å |
| 206 | R | 91.1 | Very high | 90.6 | Very high | 160 Ų | 160 | 78.8 Ų | 78.8 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146 | 140.8 | -179.4 | -52.4 | -179.9 | -167.9 | 150.9 | 10 | 111.5 | V217 | R206-V217 HydrophobicContact CB-CB 4.06Å; R206-V217 HydrophobicContact CB-CG2 4.09Å; R206-V217 PolarHBondContact N-O 3.1Å; R206-V217 PolarHBondContact O-N 2.82Å |
| 207 | E | 94.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 76.9 Ų | 76.9 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.2 | 164.1 | -48.9 | -163.2 | 174.7 | 0 | 0 | 107.7 | V204 F216 K234 | V204-E207 HydrophobicContact CG1-CG 3.85Å; E207-F216 HydrophobicContact CB-CD1 4.18Å; E207-F216 HydrophobicContact CB-CE1 4.27Å; E207-F216 HydrophobicContact CG-CD1 3.74Å; E207-F216 HydrophobicContact CG-CE1 3.97Å; E207-F216 WeakPolarHBondContact OE2-CE1 3.43Å; E207-K234 WeakPolarHBondContact OE1-CE 3.49Å; E207-K234 IonicContact OE1-NZ 2.58Å; E207-K234 PolarHBondContact OE1-NZ 2.94Å; E207-K234 IonicContact OE2-NZ 3.97Å |
| 208 | S | 90.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163.2 | -175.3 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | K214 N215 | S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CA 3.3Å; S208-K214 WeakPolarHBondContact O-CA 3.24Å; S208-N215 PolarHBondContact N-O 2.92Å; S208-N215 PolarHBondContact O-N 3.14Å |
| 209 | G | 89.2 | Confident | 92 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 54% | 0.536 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 88.7 | 167.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 210 | P | 88.8 | Confident | 92.3 | Very high | 63 Ų | 63 | 66.7 Ų | 66.7 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | trans | -61.7 | 157.6 | -176.3 | -23.8 | 35.2 | 0 | 0 | 0 | 113.2 | H212 M213 K214 | P210-H212 WeakPolarHBondContact CB-CE1 3.46Å; P210-H212 PolarHBondContact O-N 3.12Å; P210-M213 CarbonylContact O-C 3.58Å; P210-M213 VanDerWaalsContact O-C 3.25Å; P210-M213 PolarHBondContact O-N 2.73Å; P210-K214 WeakPolarHBondContact O-CG 3.45Å; P210-K214 PolarHBondContact O-N 3.29Å | ||
| 211 | P | 86.3 | Confident | 92.2 | Very high | 119 Ų | 119 | 66.8 Ų | 66.8 | 77% | 0.773 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28.1 | -179.8 | -28.9 | 36.1 | 0 | 0 | 0 | 115.6 | ||
| 212 | H | 83.3 | Confident | 92.1 | Very high | 154 Ų | 154 | 62.5 Ų | 62.5 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.8 | 178 | 58.5 | -92.9 | 0 | 0 | 0 | 114.3 | P210 | P210-H212 WeakPolarHBondContact CB-CE1 3.46Å; P210-H212 PolarHBondContact O-N 3.12Å |
| 213 | M | 86 | Confident | 91.8 | Very high | 142 Ų | 142 | 62.5 Ų | 62.5 | 70% | 0.7 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -144.4 | 55 | -175.9 | -82.2 | 177.2 | 63.1 | 0 | 0 | 111.4 | P210 | P210-M213 CarbonylContact O-C 3.58Å; P210-M213 VanDerWaalsContact O-C 3.25Å; P210-M213 PolarHBondContact O-N 2.73Å |
| 214 | K | 90.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 67.4 Ų | 67.4 | 39% | 0.387 | 37% | 0.37 | S | S | . | . | trans | -72.6 | 128.7 | 178.6 | -64 | -168.4 | 175.7 | -162.8 | 0 | 112.1 | S208 P210 F216 K232 | S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CA 3.3Å; S208-K214 WeakPolarHBondContact O-CA 3.24Å; P210-K214 WeakPolarHBondContact O-CG 3.45Å; P210-K214 PolarHBondContact O-N 3.29Å; K214-F216 HydrophobicContact CB-CD2 4.37Å; K214-F216 HydrophobicContact CB-CE2 3.54Å; K214-F216 HydrophobicContact CB-CZ 3.64Å; K214-F216 HydrophobicContact CD-CE1 4.5Å; K214-F216 HydrophobicContact CD-CZ 3.9Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; K214-K232 CarbonylContact O-C 3.6Å; K214-K232 WeakPolarHBondContact O-CA 3.34Å | ||
| 215 | N | 93.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 66.9 Ų | 66.9 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.1 | 162.3 | -165.8 | 21.1 | 0 | 0 | 0 | 109.3 | S208 E230 G231 | S208-N215 PolarHBondContact N-O 2.92Å; S208-N215 PolarHBondContact O-N 3.14Å; N215-E230 PolarHBondContact ND2-OE2 2.9Å; N215-G231 VanDerWaalsContact OD1-C 3.29Å; N215-G231 PolarHBondContact OD1-N 3.32Å; N215-G231 PolarHBondContact OD1-O 3.39Å |
| 216 | F | 95 | Very high | 91.2 | Very high | 20 Ų | 20 | 68 Ų | 68 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.2 | 177.4 | -59.4 | -92.7 | 0 | 0 | 0 | 108.1 | E207 K214 E230 G231 S233 K234 S237 | E207-F216 HydrophobicContact CB-CD1 4.18Å; E207-F216 HydrophobicContact CB-CE1 4.27Å; E207-F216 HydrophobicContact CG-CD1 3.74Å; E207-F216 HydrophobicContact CG-CE1 3.97Å; E207-F216 WeakPolarHBondContact OE2-CE1 3.43Å; K214-F216 HydrophobicContact CB-CD2 4.37Å; K214-F216 HydrophobicContact CB-CE2 3.54Å; K214-F216 HydrophobicContact CB-CZ 3.64Å; K214-F216 HydrophobicContact CD-CE1 4.5Å; K214-F216 HydrophobicContact CD-CZ 3.9Å; K214-F216 HydrophobicContact CG-CZ 4.42Å; F216-E230 CarbonylContact O-C 3.5Å; F216-E230 VanDerWaalsContact O-CA 3.3Å; F216-E230 WeakPolarHBondContact O-CA 3.25Å; F216-G231 PolarHBondContact N-O 2.66Å; F216-G231 PolarHBondContact O-N 2.85Å; F216-S233 VanDerWaalsContact CD2-C 3.48Å; F216-S233 VanDerWaalsContact CD2-CA 3.41Å; F216-K234 HydrophobicContact CD1-CD 4.24Å; F216-K234 HydrophobicContact CD1-CG 3.42Å; F216-K234 VanDerWaalsContact CD1-CG 3.42Å; F216-K234 HydrophobicContact CD2-CG 4.42Å; F216-K234 HydrophobicContact CE1-CD 4.1Å; F216-K234 HydrophobicContact CE1-CG 3.56Å; F216-K234 HydrophobicContact CG-CG 3.88Å; F216-K234 HydrophobicContact CZ-CG 4.12Å; F216-S237 WeakPolarHBondContact O-CB 3.28Å; F216-S237 PolarHBondContact O-OG 2.74Å |
| 217 | V | 96.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117 | 170 | -170.4 | 0 | 0 | 0 | 0 | 106.9 | V204 A205 R206 E230 | V204-V217 CarbonylContact C-O 3.49Å; A205-V217 PolarHBondContact N-O 3.05Å; R206-V217 HydrophobicContact CB-CB 4.06Å; R206-V217 HydrophobicContact CB-CG2 4.09Å; R206-V217 PolarHBondContact N-O 3.1Å; R206-V217 PolarHBondContact O-N 2.82Å; V217-E230 HydrophobicContact CG1-CG 4.46Å; V217-E230 HydrophobicContact CG2-CG 4.04Å |
| 218 | T | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.8 | 176 | -58.8 | 0 | 0 | 0 | 0 | 107.4 | F202 E203 E228 G229 S237 K238 A241 | F202-T218 HydrophobicContact CD1-CG2 4.18Å; E203-T218 CarbonylContact O-C 3.58Å; E203-T218 VanDerWaalsContact O-CA 3.31Å; E203-T218 WeakPolarHBondContact O-CA 3.22Å; E203-T218 WeakPolarHBondContact O-CG2 3.48Å; T218-E228 CarbonylContact O-C 3.43Å; T218-E228 WeakPolarHBondContact O-CA 3.22Å; T218-G229 PolarHBondContact N-O 3.07Å; T218-G229 PolarHBondContact O-N 3.15Å; T218-S237 WeakPolarHBondContact CB-OG 3.49Å; T218-S237 PolarHBondContact N-OG 3.44Å; T218-S237 PolarHBondContact OG1-OG 3.06Å; T218-K238 HydrophobicContact CG2-CB 4.48Å; T218-K238 HydrophobicContact CG2-CG 3.57Å; T218-A241 HydrophobicContact CG2-CB 4.32Å; T218-A241 VanDerWaalsContact O-CB 3.3Å; T218-A241 WeakPolarHBondContact O-CB 3.41Å |
| 219 | K | 95.8 | Very high | 91.6 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138 | 168.6 | 174.7 | 160.1 | 154.9 | -104.1 | 0 | 108.9 | E203 A205 V226 G227 E228 | E203-K219 HydrophobicContact CG-CB 3.79Å; E203-K219 HydrophobicContact CG-CG 4.28Å; E203-K219 PolarHBondContact N-O 2.85Å; E203-K219 PolarHBondContact O-N 3.29Å; E203-K219 VanDerWaalsContact O-O 3.09Å; E203-K219 WeakPolarHBondContact OE1-CD 3.46Å; E203-K219 WeakPolarHBondContact OE1-CE 3.4Å; E203-K219 WeakPolarHBondContact OE1-CG 3.27Å; E203-K219 IonicContact OE1-NZ 3.98Å; E203-K219 PolarHBondContact OE1-NZ 3.09Å; A205-K219 HydrophobicContact CB-CB 4.33Å; K219-V226 HydrophobicContact CD-CG1 3.88Å; K219-V226 HydrophobicContact CG-CG1 3.98Å; K219-G227 WeakPolarHBondContact CA-O 3.34Å; K219-E228 HydrophobicContact CB-CG 4.04Å; K219-E228 HydrophobicContact CD-CG 4.05Å; K219-E228 WeakPolarHBondContact CD-OE1 3.42Å; K219-E228 HydrophobicContact CG-CG 4.13Å |
| 220 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.4 | 175.1 | 56.7 | 0 | 0 | 0 | 0 | 108.5 | V200 N201 F202 V222 V226 G227 A241 V245 | V200-V220 HydrophobicContact CG1-CG2 4.24Å; N201-V220 VanDerWaalsContact O-CA 3.27Å; N201-V220 WeakPolarHBondContact O-CA 3.41Å; N201-V220 WeakPolarHBondContact O-CG2 3.48Å; F202-V220 HydrophobicContact CD1-CB 3.68Å; F202-V220 HydrophobicContact CD1-CG2 3.77Å; F202-V220 HydrophobicContact CD2-CG2 4.1Å; F202-V220 HydrophobicContact CE1-CB 3.66Å; F202-V220 HydrophobicContact CE1-CG1 4.31Å; F202-V220 HydrophobicContact CE1-CG2 3.52Å; F202-V220 HydrophobicContact CE2-CG2 3.86Å; F202-V220 HydrophobicContact CG-CB 4.29Å; F202-V220 HydrophobicContact CG-CG2 4.05Å; F202-V220 HydrophobicContact CZ-CB 4.24Å; F202-V220 HydrophobicContact CZ-CG2 3.56Å; V220-V222 HydrophobicContact CG2-CG2 4.06Å; V220-V226 WeakPolarHBondContact O-CA 3.26Å; V220-G227 WeakPolarHBondContact CG1-O 3.47Å; V220-G227 PolarHBondContact N-O 3.15Å; V220-G227 PolarHBondContact O-N 2.81Å; V220-A241 HydrophobicContact CB-CB 4.43Å; V220-A241 VanDerWaalsContact CG1-C 3.49Å; V220-A241 HydrophobicContact CG1-CB 3.8Å; V220-A241 WeakPolarHBondContact CG1-O 3.23Å; V220-V245 HydrophobicContact CG1-CB 4.34Å; V220-V245 HydrophobicContact CG1-CG2 3.6Å |
| 221 | S | 93.3 | Very high | 92.1 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.4 | 171.4 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | V200 N201 F225 | V200-S221 WeakPolarHBondContact CA-O 3.4Å; N201-S221 PolarHBondContact N-O 3.4Å; N201-S221 PolarHBondContact O-N 3.23Å; S221-F225 CarbonylContact C-O 3.59Å; S221-F225 VanDerWaalsContact CA-O 3.27Å; S221-F225 WeakPolarHBondContact CA-O 3.41Å |
| 222 | V | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 90.1 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | V189 A193 L198 P199 V200 V220 E224 F225 V245 L249 | V189-V222 HydrophobicContact CG1-CG2 3.59Å; A193-V222 HydrophobicContact CB-CG1 3.82Å; L198-V222 HydrophobicContact CB-CG1 4.11Å; L198-V222 HydrophobicContact CD1-CG1 4.2Å; P199-V222 CarbonylContact O-C 3.45Å; P199-V222 WeakPolarHBondContact O-CA 3.48Å; V200-V222 HydrophobicContact CG1-CG2 4.13Å; V200-V222 HydrophobicContact CG2-CG1 4.15Å; V200-V222 HydrophobicContact CG2-CG2 4.14Å; V220-V222 HydrophobicContact CG2-CG2 4.06Å; V222-E224 PolarHBondContact O-N 3.15Å; V222-E224 VanDerWaalsContact O-N 3.11Å; V222-F225 PolarHBondContact N-O 3.37Å; V222-F225 WeakPolarHBondContact O-CD2 3.42Å; V222-F225 PolarHBondContact O-N 2.84Å; V222-F225 VanDerWaalsContact O-N 3.1Å; V222-V245 HydrophobicContact CB-CG1 3.89Å; V222-V245 HydrophobicContact CG2-CG1 3.63Å; V222-L249 HydrophobicContact CG1-CD1 4.28Å; V222-L249 HydrophobicContact CG1-CD2 4.2Å |
| 223 | G | 87.5 | Confident | 92.8 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | -112.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P199 | P199-G223 PolarHBondContact O-N 3.12Š|
| 224 | E | 86.3 | Confident | 93.1 | Very high | 180 Ų | 180 | 54.3 Ų | 54.3 | 84% | 0.841 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -17.6 | 179.2 | -63.4 | 174 | 172 | 0 | 0 | 113.6 | V222 | V222-E224 PolarHBondContact O-N 3.15Å; V222-E224 VanDerWaalsContact O-N 3.11Å |
| 225 | F | 90.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 58 Ų | 58 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 137 | -177.7 | -61.7 | -75.6 | 0 | 0 | 0 | 111.3 | S221 V222 V245 E248 L249 L252 | S221-F225 CarbonylContact C-O 3.59Å; S221-F225 VanDerWaalsContact CA-O 3.27Å; S221-F225 WeakPolarHBondContact CA-O 3.41Å; V222-F225 PolarHBondContact N-O 3.37Å; V222-F225 WeakPolarHBondContact O-CD2 3.42Å; V222-F225 PolarHBondContact O-N 2.84Å; V222-F225 VanDerWaalsContact O-N 3.1Å; F225-V245 HydrophobicContact CB-CG1 3.91Å; F225-E248 HydrophobicContact CD1-CB 3.54Å; F225-E248 HydrophobicContact CD1-CG 4.42Å; F225-E248 WeakPolarHBondContact CD1-OE2 3.27Å; F225-E248 HydrophobicContact CE1-CB 4.11Å; F225-E248 HydrophobicContact CG-CB 4.27Å; F225-L249 HydrophobicContact CD2-CD2 3.99Å; F225-L249 HydrophobicContact CE2-CD2 4.45Å; F225-L252 HydrophobicContact CD2-CD1 4.48Å; F225-L252 HydrophobicContact CE1-CG 4.41Å; F225-L252 HydrophobicContact CE2-CD1 3.36Å; F225-L252 HydrophobicContact CE2-CG 4.07Å; F225-L252 HydrophobicContact CZ-CD1 3.4Å; F225-L252 HydrophobicContact CZ-CD2 3.89Å; F225-L252 HydrophobicContact CZ-CG 3.56Å |
| 226 | V | 93.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 60 Ų | 60 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 116.7 | -177.2 | 179.1 | 0 | 0 | 0 | 0 | 109 | K219 V220 | K219-V226 HydrophobicContact CD-CG1 3.88Å; K219-V226 HydrophobicContact CG-CG1 3.98Å; V220-V226 WeakPolarHBondContact O-CA 3.26Å |
| 227 | G | 93.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K219 V220 V245 | K219-G227 WeakPolarHBondContact CA-O 3.34Å; V220-G227 WeakPolarHBondContact CG1-O 3.47Å; V220-G227 PolarHBondContact N-O 3.15Å; V220-G227 PolarHBondContact O-N 2.81Å; G227-V245 VanDerWaalsContact N-CG2 3.29Å |
| 228 | E | 95.7 | Very high | 93.1 | Very high | 101 Ų | 101 | 62.1 Ų | 62.1 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 148.4 | 173 | -59.3 | -162.8 | 156.8 | 0 | 0 | 110.5 | T218 K219 | T218-E228 CarbonylContact O-C 3.43Å; T218-E228 WeakPolarHBondContact O-CA 3.22Å; K219-E228 HydrophobicContact CB-CG 4.04Å; K219-E228 HydrophobicContact CD-CG 4.05Å; K219-E228 WeakPolarHBondContact CD-OE1 3.42Å; K219-E228 HydrophobicContact CG-CG 4.13Å |
| 229 | G | 95.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 124.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T218 S237 | T218-G229 PolarHBondContact N-O 3.07Å; T218-G229 PolarHBondContact O-N 3.15Å; G229-S237 PolarHBondContact O-OG 2.8Å |
| 230 | E | 94.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 65.8 Ų | 65.8 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 158.4 | 176.2 | -55.9 | -147.5 | 161.6 | 0 | 0 | 112.5 | N215 F216 V217 N240 | N215-E230 PolarHBondContact ND2-OE2 2.9Å; F216-E230 CarbonylContact O-C 3.5Å; F216-E230 VanDerWaalsContact O-CA 3.3Å; F216-E230 WeakPolarHBondContact O-CA 3.25Å; V217-E230 HydrophobicContact CG1-CG 4.46Å; V217-E230 HydrophobicContact CG2-CG 4.04Å; E230-N240 PolarHBondContact O-ND2 3.08Å |
| 231 | G | 93.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | 151.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N215 F216 S233 | N215-G231 VanDerWaalsContact OD1-C 3.29Å; N215-G231 PolarHBondContact OD1-N 3.32Å; N215-G231 PolarHBondContact OD1-O 3.39Å; F216-G231 PolarHBondContact N-O 2.66Å; F216-G231 PolarHBondContact O-N 2.85Å; G231-S233 PolarHBondContact O-N 3.35Å |
| 232 | K | 91.9 | Very high | 93.2 | Very high | 187 Ų | 187 | 64 Ų | 64 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -60.7 | -0.6 | -179.8 | -55 | -178 | -178.7 | -177.6 | 0 | 115.5 | K214 | K214-K232 CarbonylContact O-C 3.6Å; K214-K232 WeakPolarHBondContact O-CA 3.34Å |
| 233 | S | 92.3 | Very high | 93.2 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -154 | 152.6 | 171.9 | 69.2 | 0 | 0 | 0 | 0 | 110.4 | F216 G231 K235 I236 S237 | F216-S233 VanDerWaalsContact CD2-C 3.48Å; F216-S233 VanDerWaalsContact CD2-CA 3.41Å; G231-S233 PolarHBondContact O-N 3.35Å; S233-K235 PolarHBondContact O-N 3.06Å; S233-I236 PolarHBondContact O-N 3.37Å; S233-I236 WeakPolarHBondContact OG-CG1 3.25Å; S233-I236 PolarHBondContact OG-N 3.39Å; S233-S237 WeakPolarHBondContact O-CB 3.32Å; S233-S237 PolarHBondContact O-N 3.29Å |
| 234 | K | 91 | Very high | 93.5 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -50.4 | -30.9 | 174.5 | -60.4 | -172.3 | -178.9 | -159.7 | 0 | 113.5 | E207 F216 K238 | E207-K234 WeakPolarHBondContact OE1-CE 3.49Å; E207-K234 IonicContact OE1-NZ 2.58Å; E207-K234 PolarHBondContact OE1-NZ 2.94Å; E207-K234 IonicContact OE2-NZ 3.97Å; F216-K234 HydrophobicContact CD1-CD 4.24Å; F216-K234 HydrophobicContact CD1-CG 3.42Å; F216-K234 VanDerWaalsContact CD1-CG 3.42Å; F216-K234 HydrophobicContact CD2-CG 4.42Å; F216-K234 HydrophobicContact CE1-CD 4.1Å; F216-K234 HydrophobicContact CE1-CG 3.56Å; F216-K234 HydrophobicContact CG-CG 3.88Å; F216-K234 HydrophobicContact CZ-CG 4.12Å; K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.08Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.96Å; K234-K238 VanDerWaalsContact O-N 3.1Å |
| 235 | K | 93.1 | Very high | 93.8 | Very high | 168 Ų | 168 | 58.1 Ų | 58.1 | 73% | 0.73 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -75.5 | -43.1 | 178.3 | -173.6 | 179 | 178.6 | -176.9 | 0 | 112.7 | S233 K239 | S233-K235 PolarHBondContact O-N 3.06Å; K235-K239 WeakPolarHBondContact O-CB 3.3Å; K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.1Å |
| 236 | I | 93.3 | Very high | 93.9 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -45.1 | 178.2 | -65.3 | 168.4 | 0 | 0 | 0 | 109.6 | S233 K238 K239 N240 | S233-I236 PolarHBondContact O-N 3.37Å; S233-I236 WeakPolarHBondContact OG-CG1 3.25Å; S233-I236 PolarHBondContact OG-N 3.39Å; I236-K238 PolarHBondContact O-N 2.55Å; I236-K239 WeakPolarHBondContact O-CB 3.31Å; I236-K239 PolarHBondContact O-N 2.97Å; I236-K239 VanDerWaalsContact O-N 3.14Å; I236-N240 PolarHBondContact O-N 2.88Å |
| 237 | S | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | F216 T218 G229 S233 K239 N240 A241 | F216-S237 WeakPolarHBondContact O-CB 3.28Å; F216-S237 PolarHBondContact O-OG 2.74Å; T218-S237 WeakPolarHBondContact CB-OG 3.49Å; T218-S237 PolarHBondContact N-OG 3.44Å; T218-S237 PolarHBondContact OG1-OG 3.06Å; G229-S237 PolarHBondContact O-OG 2.8Å; S233-S237 WeakPolarHBondContact O-CB 3.32Å; S233-S237 PolarHBondContact O-N 3.29Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 3.04Å; S237-N240 PolarHBondContact O-N 2.94Å; S237-A241 WeakPolarHBondContact O-CB 3.47Å; S237-A241 PolarHBondContact O-N 3.35Å |
| 238 | K | 94.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 172.7 | -81.1 | 177.8 | 178 | -153 | 0 | 114 | I186 F202 T218 K234 I236 A242 | I186-K238 HydrophobicContact CD1-CB 4.05Å; F202-K238 HydrophobicContact CD1-CG 4.21Å; T218-K238 HydrophobicContact CG2-CB 4.48Å; T218-K238 HydrophobicContact CG2-CG 3.57Å; K234-K238 VanDerWaalsContact O-CB 3.28Å; K234-K238 WeakPolarHBondContact O-CB 3.08Å; K234-K238 VanDerWaalsContact O-CG 3.25Å; K234-K238 WeakPolarHBondContact O-CG 3.42Å; K234-K238 PolarHBondContact O-N 2.96Å; K234-K238 VanDerWaalsContact O-N 3.1Å; I236-K238 PolarHBondContact O-N 2.55Å; K238-A242 WeakPolarHBondContact O-CB 3.27Å; K238-A242 PolarHBondContact O-N 3.07Å; K238-A242 VanDerWaalsContact O-N 3.09Å |
| 239 | K | 95.3 | Very high | 92.8 | Very high | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.335 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 175.4 | 165.6 | 172.4 | 166.5 | 142.3 | 0 | 111.2 | E185 I186 K235 I236 S237 A242 I243 | E185-K239 VanDerWaalsContact CD-CE 3.41Å; E185-K239 VanDerWaalsContact OE1-CE 3.25Å; E185-K239 WeakPolarHBondContact OE1-CE 3.38Å; E185-K239 IonicContact OE1-NZ 2.74Å; E185-K239 PolarHBondContact OE1-NZ 3.11Å; E185-K239 VanDerWaalsContact OE2-CD 3.27Å; E185-K239 WeakPolarHBondContact OE2-CD 3.33Å; E185-K239 VanDerWaalsContact OE2-CE 3.3Å; E185-K239 WeakPolarHBondContact OE2-CE 3.37Å; E185-K239 IonicContact OE2-NZ 2.76Å; E185-K239 PolarHBondContact OE2-NZ 3.24Å; E185-K239 VanDerWaalsContact OE2-NZ 3.11Å; I186-K239 HydrophobicContact CD1-CB 4.42Å; K235-K239 WeakPolarHBondContact O-CB 3.3Å; K235-K239 PolarHBondContact O-N 3.28Å; K235-K239 VanDerWaalsContact O-N 3.1Å; I236-K239 WeakPolarHBondContact O-CB 3.31Å; I236-K239 PolarHBondContact O-N 2.97Å; I236-K239 VanDerWaalsContact O-N 3.14Å; S237-K239 VanDerWaalsContact C-N 3.33Å; S237-K239 PolarHBondContact O-N 3.04Å; K239-A242 WeakPolarHBondContact O-CB 3.38Å; K239-A242 PolarHBondContact O-N 2.88Å; K239-I243 HydrophobicContact CG-CD1 4.06Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.95Å |
| 240 | N | 95.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | -179.2 | -68.2 | -5.5 | 0 | 0 | 0 | 111.5 | E230 I236 S237 A242 I243 A244 | E230-N240 PolarHBondContact O-ND2 3.08Å; I236-N240 PolarHBondContact O-N 2.88Å; S237-N240 PolarHBondContact O-N 2.94Å; N240-A242 VanDerWaalsContact C-N 3.33Å; N240-A242 PolarHBondContact O-N 3.3Å; N240-I243 WeakPolarHBondContact O-CB 3.48Å; N240-I243 PolarHBondContact O-N 3.1Å; N240-I243 VanDerWaalsContact O-N 3.15Å; N240-A244 PolarHBondContact O-N 2.75Å; N240-A244 VanDerWaalsContact O-N 3.13Å |
| 241 | A | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T218 V220 S237 I243 A244 V245 | T218-A241 HydrophobicContact CG2-CB 4.32Å; T218-A241 VanDerWaalsContact O-CB 3.3Å; T218-A241 WeakPolarHBondContact O-CB 3.41Å; V220-A241 HydrophobicContact CB-CB 4.43Å; V220-A241 VanDerWaalsContact CG1-C 3.49Å; V220-A241 HydrophobicContact CG1-CB 3.8Å; V220-A241 WeakPolarHBondContact CG1-O 3.23Å; S237-A241 WeakPolarHBondContact O-CB 3.47Å; S237-A241 PolarHBondContact O-N 3.35Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.23Å; A241-A244 PolarHBondContact O-N 3.17Å; A241-V245 PolarHBondContact O-N 2.83Å |
| 242 | A | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I186 V189 F202 K238 K239 N240 L246 | I186-A242 HydrophobicContact CB-CB 4.49Å; I186-A242 HydrophobicContact CG1-CB 3.98Å; V189-A242 HydrophobicContact CG2-CB 3.8Å; V189-A242 WeakPolarHBondContact CG2-O 3.48Å; F202-A242 HydrophobicContact CE1-CB 4.29Å; F202-A242 HydrophobicContact CZ-CB 4.28Å; K238-A242 WeakPolarHBondContact O-CB 3.27Å; K238-A242 PolarHBondContact O-N 3.07Å; K238-A242 VanDerWaalsContact O-N 3.09Å; K239-A242 WeakPolarHBondContact O-CB 3.38Å; K239-A242 PolarHBondContact O-N 2.88Å; N240-A242 VanDerWaalsContact C-N 3.33Å; N240-A242 PolarHBondContact O-N 3.3Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.15Å |
| 243 | I | 93.9 | Very high | 89.8 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.2 | -70.4 | 164.3 | 0 | 0 | 0 | 110.8 | E185 K239 N240 A241 V245 L246 E247 | E185-I243 HydrophobicContact CB-CG1 4Å; E185-I243 HydrophobicContact CG-CD1 4.2Å; E185-I243 HydrophobicContact CG-CG1 3.81Å; K239-I243 HydrophobicContact CG-CD1 4.06Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.95Å; N240-I243 WeakPolarHBondContact O-CB 3.48Å; N240-I243 PolarHBondContact O-N 3.1Å; N240-I243 VanDerWaalsContact O-N 3.15Å; A241-I243 VanDerWaalsContact C-N 3.34Å; A241-I243 PolarHBondContact O-N 3.23Å; I243-V245 VanDerWaalsContact C-N 3.34Å; I243-V245 PolarHBondContact O-N 3.22Å; I243-L246 WeakPolarHBondContact O-CB 3.48Å; I243-L246 PolarHBondContact O-N 3.48Å; I243-L246 VanDerWaalsContact O-N 3.11Å; I243-E247 PolarHBondContact O-N 2.84Å |
| 244 | A | 93.8 | Very high | 88.4 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55 | -48.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N240 A241 L246 E247 | N240-A244 PolarHBondContact O-N 2.75Å; N240-A244 VanDerWaalsContact O-N 3.13Å; A241-A244 PolarHBondContact O-N 3.17Å; A244-L246 PolarHBondContact O-N 2.86Å; A244-E247 PolarHBondContact O-N 2.93Å |
| 245 | V | 92.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.3 | -27.4 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 113.3 | V220 V222 F225 G227 A241 I243 E247 E248 L249 | V220-V245 HydrophobicContact CG1-CB 4.34Å; V220-V245 HydrophobicContact CG1-CG2 3.6Å; V222-V245 HydrophobicContact CB-CG1 3.89Å; V222-V245 HydrophobicContact CG2-CG1 3.63Å; F225-V245 HydrophobicContact CB-CG1 3.91Å; G227-V245 VanDerWaalsContact N-CG2 3.29Å; A241-V245 PolarHBondContact O-N 2.83Å; I243-V245 VanDerWaalsContact C-N 3.34Å; I243-V245 PolarHBondContact O-N 3.22Å; V245-E247 PolarHBondContact O-N 3.12Å; V245-E248 PolarHBondContact O-N 3.19Å; V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; V245-L249 WeakPolarHBondContact O-CB 3.42Å; V245-L249 VanDerWaalsContact O-CG 3.28Å; V245-L249 WeakPolarHBondContact O-CG 3.28Å; V245-L249 PolarHBondContact O-N 3.36Å |
| 246 | L | 91.3 | Very high | 84.8 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -33.7 | 172.9 | -78.5 | 170.8 | 0 | 0 | 0 | 112.4 | E185 Q188 V189 I192 A242 I243 A244 K250 | E185-L246 HydrophobicContact CB-CD1 3.9Å; Q188-L246 HydrophobicContact CB-CD1 4.27Å; Q188-L246 HydrophobicContact CB-CD2 4.13Å; Q188-L246 HydrophobicContact CG-CD2 3.9Å; V189-L246 HydrophobicContact CG2-CD1 4.22Å; V189-L246 HydrophobicContact CG2-CD2 3.75Å; V189-L246 HydrophobicContact CG2-CG 3.57Å; I192-L246 HydrophobicContact CD1-CD2 3.75Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.36Å; A242-L246 PolarHBondContact O-N 3.15Å; I243-L246 WeakPolarHBondContact O-CB 3.48Å; I243-L246 PolarHBondContact O-N 3.48Å; I243-L246 VanDerWaalsContact O-N 3.11Å; A244-L246 PolarHBondContact O-N 2.86Å; L246-K250 WeakPolarHBondContact O-CB 3.46Å; L246-K250 VanDerWaalsContact O-CG 3.23Å; L246-K250 WeakPolarHBondContact O-CG 3.42Å; L246-K250 PolarHBondContact O-N 3.39Å; L246-K250 VanDerWaalsContact O-N 3.1Å |
| 247 | E | 88.8 | Confident | 82.9 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 176 | -66.1 | -177.9 | -172.7 | 0 | 0 | 111.9 | I243 A244 V245 K250 K251 | I243-E247 PolarHBondContact O-N 2.84Å; A244-E247 PolarHBondContact O-N 2.93Å; V245-E247 PolarHBondContact O-N 3.12Å; E247-K250 PolarHBondContact O-N 3.03Å; E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.08Å |
| 248 | E | 87.6 | Confident | 81 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -43.7 | 175.6 | -56.1 | -173.3 | 144.5 | 0 | 0 | 111.9 | F225 V245 K250 K251 L252 | F225-E248 HydrophobicContact CD1-CB 3.54Å; F225-E248 HydrophobicContact CD1-CG 4.42Å; F225-E248 WeakPolarHBondContact CD1-OE2 3.27Å; F225-E248 HydrophobicContact CE1-CB 4.11Å; F225-E248 HydrophobicContact CG-CB 4.27Å; V245-E248 PolarHBondContact O-N 3.19Å; E248-K250 PolarHBondContact O-N 3.42Å; E248-K251 WeakPolarHBondContact O-CB 3.4Å; E248-K251 PolarHBondContact O-N 3.34Å; E248-L252 PolarHBondContact O-N 2.97Å |
| 249 | L | 84.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 77.2 Ų | 77.2 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -27.3 | 175.6 | -70.6 | 171.7 | 0 | 0 | 0 | 112.6 | I192 R196 L198 V222 F225 V245 | I192-L249 HydrophobicContact CB-CD1 4.46Å; I192-L249 HydrophobicContact CG2-CB 4.33Å; I192-L249 HydrophobicContact CG2-CD1 4.08Å; I192-L249 HydrophobicContact CG2-CD2 4.41Å; R196-L249 PolarHBondContact NH1-O 2.95Å; R196-L249 PolarHBondContact NH2-O 2.81Å; L198-L249 HydrophobicContact CD1-CD2 4.47Å; V222-L249 HydrophobicContact CG1-CD1 4.28Å; V222-L249 HydrophobicContact CG1-CD2 4.2Å; F225-L249 HydrophobicContact CD2-CD2 3.99Å; F225-L249 HydrophobicContact CE2-CD2 4.45Å; V245-L249 HydrophobicContact CG1-CD1 3.85Å; V245-L249 HydrophobicContact CG1-CG 3.94Å; V245-L249 WeakPolarHBondContact O-CB 3.42Å; V245-L249 VanDerWaalsContact O-CG 3.28Å; V245-L249 WeakPolarHBondContact O-CG 3.28Å; V245-L249 PolarHBondContact O-N 3.36Å |
| 250 | K | 83.4 | Confident | 77.4 | Confident | 144 Ų | 144 | 82.3 Ų | 82.3 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -75.8 | -26 | 173 | -76.9 | 172.2 | -178.6 | -173.5 | 0 | 113.9 | L246 E247 E248 | L246-K250 WeakPolarHBondContact O-CB 3.46Å; L246-K250 VanDerWaalsContact O-CG 3.23Å; L246-K250 WeakPolarHBondContact O-CG 3.42Å; L246-K250 PolarHBondContact O-N 3.39Å; L246-K250 VanDerWaalsContact O-N 3.1Å; E247-K250 PolarHBondContact O-N 3.03Å; E248-K250 PolarHBondContact O-N 3.42Å |
| 251 | K | 83.3 | Confident | 75.3 | Confident | 163 Ų | 163 | 85.6 Ų | 85.6 | 71% | 0.709 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -76 | -28.6 | 178.7 | -68.6 | 167.2 | -169.2 | 169.9 | 0 | 112.6 | E247 E248 | E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.08Å; E248-K251 WeakPolarHBondContact O-CB 3.4Å; E248-K251 PolarHBondContact O-N 3.34Å |
| 252 | L | 73 | Confident | 73.3 | Confident | 64 Ų | 64 | 94.5 Ų | 94.5 | 34% | 0.335 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -62.6 | 141.7 | 175.1 | -84.6 | -176.8 | 0 | 0 | 0 | 111.9 | R196 F225 E248 | R196-L252 PolarHBondContact NH2-O 2.82Å; F225-L252 HydrophobicContact CD2-CD1 4.48Å; F225-L252 HydrophobicContact CE1-CG 4.41Å; F225-L252 HydrophobicContact CE2-CD1 3.36Å; F225-L252 HydrophobicContact CE2-CG 4.07Å; F225-L252 HydrophobicContact CZ-CD1 3.4Å; F225-L252 HydrophobicContact CZ-CD2 3.89Å; F225-L252 HydrophobicContact CZ-CG 3.56Å; E248-L252 PolarHBondContact O-N 2.97Å |
| 253 | P | 72.3 | Confident | 70.9 | Confident | 90 Ų | 90 | 100 Ų | 100 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 148 | 176 | 23.7 | -33.9 | 0 | 0 | 0 | 111.6 | R196 L255 | R196-P253 PolarHBondContact NH2-O 2.85Å; P253-L255 PolarHBondContact O-N 3Å; P253-L255 VanDerWaalsContact O-N 3.12Å |
| 254 | P | 62.7 | Low | 68.7 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 81% | 0.805 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.4 | 172 | 27.1 | -32.4 | 0 | 0 | 0 | 108.3 | ||
| 255 | L | 58.2 | Low | 67.1 | Low | 104 Ų | 104 | 114.4 Ų | 114.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 146.9 | 171.7 | -64.8 | -176.5 | 0 | 0 | 0 | 109.1 | R196 P253 A257 | R196-L255 HydrophobicContact CB-CD1 4.3Å; R196-L255 HydrophobicContact CG-CD1 3.83Å; P253-L255 PolarHBondContact O-N 3Å; P253-L255 VanDerWaalsContact O-N 3.12Å; L255-A257 PolarHBondContact O-N 3.33Å |
| 256 | P | 50 | Low | 65 | Low | 113 Ų | 113 | 124.5 Ų | 124.5 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.2 | 173.7 | 23.5 | -33.9 | 0 | 0 | 0 | 108.9 | V258 | P256-V258 PolarHBondContact O-N 2.9Š|
| 257 | A | 54.4 | Low | 63.4 | Low | 98 Ų | 98 | 132.6 Ų | 132.6 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | trans | -66.1 | 97.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L255 E259 | L255-A257 PolarHBondContact O-N 3.33Å; A257-E259 PolarHBondContact O-N 3.17Å | ||
| 258 | V | 55.6 | Low | 61.7 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -60.3 | 107.6 | 168.9 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | P256 R260 | P256-V258 PolarHBondContact O-N 2.9Å; V258-R260 PolarHBondContact O-N 3.37Å | ||
| 259 | E | 54.6 | Low | 60.3 | Low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -70.6 | 77.9 | -170.3 | -168.2 | 178.7 | -168.6 | 0 | 0 | 110.7 | A257 V261 | A257-E259 PolarHBondContact O-N 3.17Å; E259-V261 PolarHBondContact O-N 3.3Å; E259-V261 VanDerWaalsContact O-N 3.1Å | ||
| 260 | R | 59.4 | Low | 59.3 | Low | 184 Ų | 184 | 147.8 Ų | 147.8 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -71.3 | 107.6 | 167.2 | -66.1 | -154.4 | -170.6 | -167.5 | 8 | 108 | V258 K262 | V258-R260 PolarHBondContact O-N 3.37Å; R260-K262 PolarHBondContact O-N 3.12Å | ||
| 261 | V | 51.9 | Low | 57.5 | Low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | -48.6 | 101.2 | 171.8 | -176 | 0 | 0 | 0 | 0 | 109.1 | E259 P263 | E259-V261 PolarHBondContact O-N 3.3Å; E259-V261 VanDerWaalsContact O-N 3.1Å; V261-P263 WeakPolarHBondContact O-CD 3.49Å | ||
| 262 | K | 52.5 | Low | 56.1 | Low | 187 Ų | 187 | 146.6 Ų | 146.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -68.7 | 120 | 171.9 | -76.4 | 175.9 | 179.2 | 169.2 | 0 | 107 | R260 R264 | R260-K262 PolarHBondContact O-N 3.12Å; K262-R264 PolarHBondContact O-N 3.48Å | ||
| 263 | P | 45 | Very low | 54.8 | Low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -58.5 | 113.2 | 172.9 | 22.6 | -31.6 | 0 | 0 | 0 | 108.7 | V261 I265 | V261-P263 WeakPolarHBondContact O-CD 3.49Å; P263-I265 PolarHBondContact O-N 2.95Å | ||
| 264 | R | 48.8 | Very low | 53.7 | Low | 244 Ų | 244 | 154 Ų | 154 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -77.9 | 50.4 | -168.9 | -168 | -177.9 | 165.1 | 141.6 | -5.6 | 112.1 | K262 | K262-R264 PolarHBondContact O-N 3.48Š|
| 265 | I | 58.5 | Low | 52.9 | Low | 150 Ų | 150 | 153.6 Ų | 153.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 88.5 | 171.3 | -53.1 | -179.6 | 0 | 0 | 0 | 107.3 | P263 K267 | P263-I265 PolarHBondContact O-N 2.95Å; I265-K267 PolarHBondContact O-N 3.1Å | ||
| 266 | K | 50.3 | Low | 52 | Low | 212 Ų | 212 | 157.6 Ų | 157.6 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | trans | -69.2 | 70.5 | 173.3 | -70.8 | -172.1 | 178 | -175.1 | 0 | 110.2 | K268 | K266-K268 PolarHBondContact O-N 3.11Š| ||
| 267 | K | 57.9 | Low | 51.8 | Low | 179 Ų | 179 | 158.7 Ų | 158.7 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 100.9 | 166.7 | -172.6 | 172.9 | -174.9 | 173.8 | 0 | 107.3 | I265 T269 | I265-K267 PolarHBondContact O-N 3.1Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 2.97Å | ||
| 268 | K | 52.8 | Low | 51.1 | Low | 188 Ų | 188 | 157.4 Ų | 157.4 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -66.8 | 84.8 | -177.3 | -169.4 | 169.5 | -174.2 | 169.4 | 0 | 110.2 | K266 K270 | K266-K268 PolarHBondContact O-N 3.11Å; K268-K270 PolarHBondContact O-N 3.35Å | ||
| 269 | T | 56.9 | Low | 50.8 | Low | 126 Ų | 126 | 157.1 Ų | 157.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -61.5 | 97.6 | 167 | 28.7 | 0 | 0 | 0 | 0 | 108.2 | K267 | K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 2.97Å | ||
| 270 | K | 63.8 | Low | 50.4 | Low | 183 Ų | 183 | 154.8 Ų | 154.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 129.1 | 169.9 | -62.5 | -178.5 | -178 | 179.4 | 0 | 107.3 | K268 I272 | K268-K270 PolarHBondContact O-N 3.35Å; K270-I272 PolarHBondContact O-N 3.12Å |
| 271 | P | 46.2 | Very low | 50 | Low | 118 Ų | 118 | 154.3 Ų | 154.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 138 | 170.5 | 26 | -33.2 | 0 | 0 | 0 | 108.4 | V273 | P271-V273 PolarHBondContact O-N 3.23Š|
| 272 | I | 54.4 | Low | 50.2 | Low | 164 Ų | 164 | 149 Ų | 149 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.1 | 177.1 | -170.8 | 165.2 | 0 | 0 | 0 | 108.7 | K270 K274 | K270-I272 PolarHBondContact O-N 3.12Å; I272-K274 PolarHBondContact O-N 2.91Å |
| 273 | V | 45.2 | Very low | 50.4 | Low | 129 Ų | 129 | 146.6 Ų | 146.6 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.9 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | P271 | P271-V273 PolarHBondContact O-N 3.23Š|
| 274 | K | 48 | Very low | 51.3 | Low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.9 | 176.2 | -67.2 | 174.3 | -179.8 | 172.5 | 0 | 108.1 | I272 Q276 | I272-K274 PolarHBondContact O-N 2.91Å; K274-Q276 PolarHBondContact O-N 2.7Å |
| 275 | P | 45.8 | Very low | 52.7 | Low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 133.9 | 169.8 | 25.7 | -32.7 | 0 | 0 | 0 | 108.1 | T277 | P275-T277 PolarHBondContact O-N 2.63Å; P275-T277 VanDerWaalsContact O-N 3.07Å |
| 276 | Q | 40.7 | Very low | 54.3 | Low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | -65.3 | 113 | -176.9 | -68.1 | -168.7 | -7.7 | 0 | 0 | 109.6 | K274 S278 | K274-Q276 PolarHBondContact O-N 2.7Å; Q276-S278 PolarHBondContact O-N 3.11Å; Q276-S278 VanDerWaalsContact O-N 3.1Å | ||
| 277 | T | 44.3 | Very low | 56.2 | Low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | trans | -82.2 | 74.8 | 167.1 | 54 | 0 | 0 | 0 | 0 | 108.4 | P275 | P275-T277 PolarHBondContact O-N 2.63Å; P275-T277 VanDerWaalsContact O-N 3.07Å | ||
| 278 | S | 40.2 | Very low | 57.9 | Low | 71 Ų | 71 | 116.5 Ų | 116.5 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | trans | -65 | 148.4 | 159.4 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | Q276 E280 | Q276-S278 PolarHBondContact O-N 3.11Å; Q276-S278 VanDerWaalsContact O-N 3.1Å; S278-E280 PolarHBondContact O-N 2.82Å | ||
| 279 | P | 50 | Low | 59.8 | Low | 121 Ų | 121 | 110.5 Ų | 110.5 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -75 | 19.4 | 174.7 | 32.7 | -35.7 | 0 | 0 | 0 | 112.7 | Y281 | P279-Y281 WeakPolarHBondContact O-CD2 3.43Å; P279-Y281 PolarHBondContact O-N 2.95Å; P279-Y281 VanDerWaalsContact O-N 3.08Å |
| 280 | E | 45.8 | Very low | 61.4 | Low | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | trans | -82.7 | 90.5 | 179.1 | -165.6 | 155.6 | -171.6 | 0 | 0 | 109.6 | S278 G282 | S278-E280 PolarHBondContact O-N 2.82Å; E280-G282 PolarHBondContact O-N 2.9Å | ||
| 281 | Y | 51.3 | Low | 62.8 | Low | 174 Ų | 174 | 98.7 Ų | 98.7 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 85 | -170.8 | -95.8 | -100.9 | 0 | 0 | 0 | 114.3 | P279 R290 | P279-Y281 WeakPolarHBondContact O-CD2 3.43Å; P279-Y281 PolarHBondContact O-N 2.95Å; P279-Y281 VanDerWaalsContact O-N 3.08Å; Y281-R290 VanDerWaalsContact O-CZ 3.29Å; Y281-R290 PolarHBondContact O-NH1 2.66Å; Y281-R290 PolarHBondContact O-NH2 2.99Å |
| 282 | G | 56.6 | Low | 64.9 | Low | 18 Ų | 18 | 95.1 Ų | 95.1 | 19% | 0.186 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 151.8 | -29.4 | 160 | 0 | 0 | 0 | 0 | 0 | 116.7 | E280 G284 | E280-G282 PolarHBondContact O-N 2.9Å; G282-G284 PolarHBondContact O-N 2.97Å |
| 283 | Q | 56.4 | Low | 66.7 | Low | 138 Ų | 138 | 90.8 Ų | 90.8 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17.5 | -163.3 | -59.4 | -173.3 | 18.8 | 0 | 0 | 115.2 | P357 | Q283-P357 HydrophobicContact CG-CG 4.41Š|
| 284 | G | 62.9 | Low | 68.7 | Low | 81 Ų | 81 | 85.4 Ų | 85.4 | 84% | 0.835 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 6.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G282 | G282-G284 PolarHBondContact O-N 2.97Š|
| 285 | I | 79.7 | Confident | 70.8 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -99.4 | 135.3 | -171 | -58.4 | 174.9 | 0 | 0 | 0 | 110.1 | R290 | I285-R290 HydrophobicContact CG2-CB 4.34Š|
| 286 | N | 90.3 | Very high | 72.9 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 31% | 0.305 | 44% | 0.435 | S | S | . | . | trans | -52.6 | 129 | 174.6 | 178 | 49.6 | 0 | 0 | 0 | 110.8 | I288 S289 R290 R342 | N286-I288 PolarHBondContact O-N 2.85Å; N286-I288 VanDerWaalsContact O-N 3.1Å; N286-S289 WeakPolarHBondContact O-CA 3.48Å; N286-S289 WeakPolarHBondContact O-CB 3.13Å; N286-S289 PolarHBondContact O-N 3.39Å; N286-R290 PolarHBondContact O-N 2.93Å; N286-R342 PolarHBondContact OD1-NE 3.1Å | ||
| 287 | P | 91.8 | Very high | 75.1 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 12% | 0.123 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.4 | -30.3 | -169.8 | 20.8 | -33.2 | 0 | 0 | 0 | 113.4 | S289 R290 L291 R342 E346 L349 | P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 PolarHBondContact O-N 2.99Å; P287-R290 PolarHBondContact O-N 3.19Å; P287-L291 WeakPolarHBondContact O-CB 3.38Å; P287-L291 PolarHBondContact O-N 2.83Å; P287-R342 HydrophobicContact CG-CG 3.5Å; P287-E346 HydrophobicContact CB-CB 4.25Å; P287-E346 HydrophobicContact CG-CB 4.26Å; P287-L349 HydrophobicContact CB-CD1 3.66Å |
| 288 | I | 93.1 | Very high | 77.1 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 19% | 0.185 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.9 | -47.9 | 170.7 | -52.4 | 174.2 | 0 | 0 | 0 | 111.3 | N286 A292 Y305 K341 R342 A345 | N286-I288 PolarHBondContact O-N 2.85Å; N286-I288 VanDerWaalsContact O-N 3.1Å; I288-A292 PolarHBondContact O-N 3.27Å; I288-A292 VanDerWaalsContact O-N 3.12Å; I288-Y305 HydrophobicContact CG2-CE2 4.47Å; I288-K341 HydrophobicContact CD1-CB 4.41Å; I288-K341 HydrophobicContact CD1-CD 4.34Å; I288-K341 HydrophobicContact CD1-CG 3.94Å; I288-K341 HydrophobicContact CG1-CG 4.47Å; I288-R342 HydrophobicContact CD1-CB 4.17Å; I288-R342 HydrophobicContact CG1-CB 4.36Å; I288-A345 HydrophobicContact CB-CB 4.35Å; I288-A345 HydrophobicContact CG1-CB 3.94Å |
| 289 | S | 92.6 | Very high | 79.3 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 43% | 0.434 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73 | -34.8 | -179.3 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | N286 P287 Q293 | N286-S289 WeakPolarHBondContact O-CA 3.48Å; N286-S289 WeakPolarHBondContact O-CB 3.13Å; N286-S289 PolarHBondContact O-N 3.39Å; P287-S289 VanDerWaalsContact C-N 3.33Å; P287-S289 PolarHBondContact O-N 2.99Å; S289-Q293 WeakPolarHBondContact O-CB 3.4Å; S289-Q293 PolarHBondContact O-N 3.25Å |
| 290 | R | 91.2 | Very high | 81.1 | Confident | 61 Ų | 61 | 76.1 Ų | 76.1 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.3 | -177.1 | 53.2 | 170.9 | -162.4 | -8.7 | 111.8 | Y281 I285 N286 P287 Q293 I294 L349 | Y281-R290 VanDerWaalsContact O-CZ 3.29Å; Y281-R290 PolarHBondContact O-NH1 2.66Å; Y281-R290 PolarHBondContact O-NH2 2.99Å; I285-R290 HydrophobicContact CG2-CB 4.34Å; N286-R290 PolarHBondContact O-N 2.93Å; P287-R290 PolarHBondContact O-N 3.19Å; R290-Q293 PolarHBondContact O-N 3.3Å; R290-I294 HydrophobicContact CG-CD1 4Å; R290-I294 WeakPolarHBondContact O-CD1 3.19Å; R290-I294 WeakPolarHBondContact O-CG1 3.38Å; R290-I294 PolarHBondContact O-N 2.66Å; R290-L349 HydrophobicContact CB-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD2 4.38Å |
| 291 | L | 91.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 175.4 | -177.5 | 63.4 | 0 | 0 | 0 | 111.5 | P287 Q293 I294 Q295 P303 V323 V325 A345 M348 L349 L352 | P287-L291 WeakPolarHBondContact O-CB 3.38Å; P287-L291 PolarHBondContact O-N 2.83Å; L291-Q293 PolarHBondContact O-N 2.89Å; L291-I294 PolarHBondContact O-N 3.21Å; L291-Q295 WeakPolarHBondContact O-CG 3.16Å; L291-Q295 PolarHBondContact O-N 2.99Å; L291-P303 HydrophobicContact CD2-CB 4.09Å; L291-P303 HydrophobicContact CG-CB 4.36Å; L291-P303 HydrophobicContact CG-CG 4.45Å; L291-V323 HydrophobicContact CD2-CG2 4.23Å; L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 HydrophobicContact CD2-CG2 4.26Å; L291-A345 HydrophobicContact CD2-CB 4Å; L291-M348 HydrophobicContact CD1-CB 4.48Å; L291-M348 HydrophobicContact CD1-CG 3.81Å; L291-M348 HydrophobicContact CD2-CB 3.93Å; L291-M348 HydrophobicContact CD2-CG 3.73Å; L291-M348 HydrophobicContact CG-CG 4.44Å; L291-L349 HydrophobicContact CB-CD2 4.01Å; L291-L349 HydrophobicContact CB-CG 4.13Å; L291-L349 HydrophobicContact CD1-CD2 3.86Å; L291-L349 HydrophobicContact CD1-CG 4.2Å; L291-L352 HydrophobicContact CD1-CD1 3.61Å |
| 292 | A | 91.6 | Very high | 84.9 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I288 I294 Q295 Q296 | I288-A292 PolarHBondContact O-N 3.27Å; I288-A292 VanDerWaalsContact O-N 3.12Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 2.76Å; A292-Q295 PolarHBondContact O-N 2.74Å; A292-Q296 WeakPolarHBondContact O-CB 3.45Å; A292-Q296 PolarHBondContact O-N 3.41Å |
| 293 | Q | 90.9 | Very high | 86.7 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.5 | -172.7 | 179.9 | 40.7 | 0 | 0 | 112.4 | S289 R290 L291 Q296 A297 | S289-Q293 WeakPolarHBondContact O-CB 3.4Å; S289-Q293 PolarHBondContact O-N 3.25Å; R290-Q293 PolarHBondContact O-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.89Å; Q293-Q296 PolarHBondContact O-N 3.43Å; Q293-A297 WeakPolarHBondContact O-CB 3.28Å; Q293-A297 PolarHBondContact O-N 2.87Å |
| 294 | I | 88.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 74.4 Ų | 74.4 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 176.1 | -74.3 | 162.5 | 0 | 0 | 0 | 110.9 | R290 L291 A292 Q296 A297 K298 L349 F354 | R290-I294 HydrophobicContact CG-CD1 4Å; R290-I294 WeakPolarHBondContact O-CD1 3.19Å; R290-I294 WeakPolarHBondContact O-CG1 3.38Å; R290-I294 PolarHBondContact O-N 2.66Å; L291-I294 PolarHBondContact O-N 3.21Å; A292-I294 VanDerWaalsContact C-N 3.35Å; A292-I294 PolarHBondContact O-N 2.76Å; I294-Q296 PolarHBondContact O-N 3.44Å; I294-A297 PolarHBondContact O-N 2.8Å; I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 WeakPolarHBondContact O-CG 3.31Å; I294-K298 PolarHBondContact O-N 2.95Å; I294-L349 HydrophobicContact CD1-CD2 3.55Å; I294-F354 HydrophobicContact CD1-CB 4.22Å; I294-F354 HydrophobicContact CD1-CD1 3.88Å; I294-F354 HydrophobicContact CD1-CD2 3.95Å; I294-F354 HydrophobicContact CD1-CE1 4.23Å; I294-F354 HydrophobicContact CD1-CE2 4.31Å; I294-F354 HydrophobicContact CD1-CG 3.74Å; I294-F354 HydrophobicContact CD1-CZ 4.43Å; I294-F354 HydrophobicContact CG2-CD2 4.15Å; I294-F354 HydrophobicContact CG2-CE1 4.34Å; I294-F354 HydrophobicContact CG2-CE2 3.5Å; I294-F354 HydrophobicContact CG2-CZ 3.61Å |
| 295 | Q | 90.4 | Very high | 90 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.8 | -69.3 | -52.1 | 106.6 | 0 | 0 | 112.4 | L291 A292 A297 K298 K299 E300 V325 | L291-Q295 WeakPolarHBondContact O-CG 3.16Å; L291-Q295 PolarHBondContact O-N 2.99Å; A292-Q295 PolarHBondContact O-N 2.74Å; Q295-A297 PolarHBondContact O-N 2.8Å; Q295-K298 CarbonylContact O-C 3.57Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q295-K299 PolarHBondContact O-N 2.78Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; Q295-E300 VanDerWaalsContact NE2-CB 3.29Å; Q295-E300 PolarHBondContact NE2-OE2 2.86Å; Q295-E300 PolarHBondContact O-N 2.94Å; Q295-E300 VanDerWaalsContact O-N 3.1Å; Q295-V325 HydrophobicContact CG-CG1 3.94Å |
| 296 | Q | 90.4 | Very high | 90.8 | Very high | 157 Ų | 157 | 73.1 Ų | 73.1 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 174.6 | -168.1 | 179 | 20.6 | 0 | 0 | 111.9 | A292 Q293 I294 K298 K299 | A292-Q296 WeakPolarHBondContact O-CB 3.45Å; A292-Q296 PolarHBondContact O-N 3.41Å; Q293-Q296 PolarHBondContact O-N 3.43Å; I294-Q296 PolarHBondContact O-N 3.44Å; Q296-K298 VanDerWaalsContact C-N 3.34Å; Q296-K298 PolarHBondContact O-N 2.94Å; Q296-K299 PolarHBondContact O-N 3.48Å; Q296-K299 VanDerWaalsContact O-N 3.13Å |
| 297 | A | 88.2 | Confident | 91 | Very high | 84 Ų | 84 | 73.8 Ų | 73.8 | 69% | 0.694 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.8 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q293 I294 Q295 K299 | Q293-A297 WeakPolarHBondContact O-CB 3.28Å; Q293-A297 PolarHBondContact O-N 2.87Å; I294-A297 PolarHBondContact O-N 2.8Å; Q295-A297 PolarHBondContact O-N 2.8Å; A297-K299 VanDerWaalsContact C-N 3.27Å; A297-K299 PolarHBondContact O-N 2.71Å |
| 298 | K | 86.4 | Confident | 91.1 | Very high | 90 Ų | 90 | 76.6 Ų | 76.6 | 39% | 0.391 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.6 | -9.3 | 172.7 | -71.2 | -176.7 | 173.2 | -169.8 | 0 | 114.2 | I294 Q295 Q296 E300 | I294-K298 HydrophobicContact CG2-CD 4.38Å; I294-K298 WeakPolarHBondContact O-CG 3.31Å; I294-K298 PolarHBondContact O-N 2.95Å; Q295-K298 CarbonylContact O-C 3.57Å; Q295-K298 PolarHBondContact O-N 2.96Å; Q296-K298 VanDerWaalsContact C-N 3.34Å; Q296-K298 PolarHBondContact O-N 2.94Å; K298-E300 HydrophobicContact CB-CB 4.41Å; K298-E300 HydrophobicContact CB-CG 4.01Å; K298-E300 PolarHBondContact O-N 3.44Å |
| 299 | K | 85.9 | Confident | 90.9 | Very high | 195 Ų | 195 | 76.7 Ų | 76.7 | 85% | 0.848 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 30.7 | -171.8 | -54 | -178.3 | -179.5 | 179.5 | 0 | 113.7 | Q295 Q296 A297 | Q295-K299 PolarHBondContact O-N 2.78Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 3.48Å; Q296-K299 VanDerWaalsContact O-N 3.13Å; A297-K299 VanDerWaalsContact C-N 3.27Å; A297-K299 PolarHBondContact O-N 2.71Å |
| 300 | E | 86.3 | Confident | 90.8 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -93 | 168.6 | 178.1 | -75.6 | 177.8 | -157.8 | 0 | 0 | 112 | Q295 K298 | Q295-E300 VanDerWaalsContact NE2-CB 3.29Å; Q295-E300 PolarHBondContact NE2-OE2 2.86Å; Q295-E300 PolarHBondContact O-N 2.94Å; Q295-E300 VanDerWaalsContact O-N 3.1Å; K298-E300 HydrophobicContact CB-CB 4.41Å; K298-E300 HydrophobicContact CB-CG 4.01Å; K298-E300 PolarHBondContact O-N 3.44Å |
| 301 | K | 88.6 | Confident | 90.4 | Very high | 155 Ų | 155 | 83.2 Ų | 83.2 | 67% | 0.674 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 141.3 | 172.1 | -169.4 | -170.5 | 177.7 | -164.4 | 0 | 110.2 | E304 | K301-E304 IonicContact NZ-OE2 2.71Å; K301-E304 PolarHBondContact NZ-OE2 2.97Å |
| 302 | E | 89.4 | Confident | 89.8 | Confident | 163 Ų | 163 | 86 Ų | 86 | 76% | 0.762 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 148.1 | 175.9 | -67.3 | -165.8 | 160 | 0 | 0 | 112.8 | E304 | E302-E304 PolarHBondContact O-N 2.86Š|
| 303 | P | 93.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 90.2 Ų | 90.2 | 11% | 0.11 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 119.7 | 179.7 | 25.8 | -34.5 | 0 | 0 | 0 | 111.7 | L291 Y305 V323 V325 | L291-P303 HydrophobicContact CD2-CB 4.09Å; L291-P303 HydrophobicContact CG-CB 4.36Å; L291-P303 HydrophobicContact CG-CG 4.45Å; P303-Y305 HydrophobicContact CB-CE2 3.98Å; P303-Y305 HydrophobicContact CG-CE2 3.98Å; P303-Y305 VanDerWaalsContact O-CD2 3.26Å; P303-Y305 WeakPolarHBondContact O-CD2 3.4Å; P303-Y305 WeakPolarHBondContact O-CE2 3.46Å; P303-V323 HydrophobicContact CB-CG2 3.85Å; P303-V325 HydrophobicContact CB-CG2 3.76Å |
| 304 | E | 94.4 | Very high | 88.6 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.3 | -176.6 | -171.6 | 169.2 | 164.7 | 0 | 0 | 110.3 | K301 E302 V323 K324 | K301-E304 IonicContact NZ-OE2 2.71Å; K301-E304 PolarHBondContact NZ-OE2 2.97Å; E302-E304 PolarHBondContact O-N 2.86Å; E304-V323 CarbonylContact O-C 3.38Å; E304-V323 VanDerWaalsContact O-CA 3.28Å; E304-V323 WeakPolarHBondContact O-CA 3.11Å; E304-K324 HydrophobicContact CB-CB 4.48Å; E304-K324 PolarHBondContact N-O 3.36Å; E304-K324 PolarHBondContact O-N 3.36Å |
| 305 | Y | 95.1 | Very high | 88.1 | Confident | 49 Ų | 49 | 102.6 Ų | 102.6 | 19% | 0.192 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | -174.3 | -68.7 | -87 | 0 | 0 | 0 | 112.1 | I288 P303 Q322 V323 K341 A345 | I288-Y305 HydrophobicContact CG2-CE2 4.47Å; P303-Y305 HydrophobicContact CB-CE2 3.98Å; P303-Y305 HydrophobicContact CG-CE2 3.98Å; P303-Y305 VanDerWaalsContact O-CD2 3.26Å; P303-Y305 WeakPolarHBondContact O-CD2 3.4Å; P303-Y305 WeakPolarHBondContact O-CE2 3.46Å; Y305-Q322 CarbonylContact C-O 3.54Å; Y305-Q322 WeakPolarHBondContact CA-O 3.33Å; Y305-V323 HydrophobicContact CD1-CB 3.6Å; Y305-V323 HydrophobicContact CD1-CG2 3.63Å; Y305-V323 HydrophobicContact CD2-CG2 4.38Å; Y305-V323 HydrophobicContact CE1-CB 3.61Å; Y305-V323 HydrophobicContact CE1-CG1 4.41Å; Y305-V323 HydrophobicContact CE1-CG2 3.41Å; Y305-V323 VanDerWaalsContact CE1-CG2 3.41Å; Y305-V323 HydrophobicContact CE2-CG2 4.18Å; Y305-V323 HydrophobicContact CG-CB 4.41Å; Y305-V323 HydrophobicContact CG-CG2 4.13Å; Y305-K341 HydrophobicContact CD1-CD 4.04Å; Y305-K341 HydrophobicContact CD1-CG 3.57Å; Y305-K341 HydrophobicContact CD2-CD 4.39Å; Y305-K341 HydrophobicContact CE1-CD 4.3Å; Y305-K341 HydrophobicContact CE1-CG 3.63Å; Y305-K341 HydrophobicContact CG-CD 4.08Å; Y305-K341 HydrophobicContact CG-CG 4.12Å; Y305-A345 HydrophobicContact CE1-CB 4.25Å; Y305-A345 WeakPolarHBondContact OH-CB 3.46Å |
| 306 | M | 95.7 | Very high | 87.7 | Confident | 79 Ų | 79 | 112.6 Ų | 112.6 | 39% | 0.389 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 142.8 | 180 | -59.9 | -172.4 | -65.1 | 0 | 0 | 111.3 | M321 Q322 | M306-M321 CarbonylContact O-C 3.52Å; M306-M321 WeakPolarHBondContact O-CA 3.43Å; M306-M321 VanDerWaalsContact O-CE 3.28Å; M306-M321 WeakPolarHBondContact O-CE 3.42Å; M306-Q322 PolarHBondContact N-O 3.24Å; M306-Q322 PolarHBondContact O-N 3.45Å |
| 307 | L | 96.1 | Very high | 87.6 | Confident | 72 Ų | 72 | 110.7 Ų | 110.7 | 38% | 0.377 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 108.5 | 171.6 | 178.1 | 67.9 | 0 | 0 | 0 | 108.4 | F319 M321 K337 | L307-F319 HydrophobicContact CD1-CB 4.28Å; L307-F319 HydrophobicContact CD1-CD1 4.33Å; L307-M321 HydrophobicContact CB-SD 3.87Å; L307-M321 HydrophobicContact CD1-SD 3.75Å; L307-M321 HydrophobicContact CG-SD 4.43Å; L307-K337 HydrophobicContact CD2-CD 4.08Å; L307-K337 VanDerWaalsContact CD2-NZ 3.33Å |
| 308 | L | 93.3 | Very high | 87.8 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -41.6 | 179 | -75 | 175 | 0 | 0 | 0 | 112.2 | V320 Q322 E331 | L308-V320 HydrophobicContact CD1-CG1 4.4Å; L308-V320 PolarHBondContact N-O 3.11Å; L308-Q322 HydrophobicContact CD1-CB 3.71Å; L308-Q322 HydrophobicContact CD1-CG 4.27Å; L308-Q322 HydrophobicContact CD2-CB 4.5Å; L308-Q322 HydrophobicContact CG-CB 3.83Å; L308-E331 HydrophobicContact CD1-CG 3.85Å; L308-E331 VanDerWaalsContact CD1-OE1 3.28Å; L308-E331 WeakPolarHBondContact CD1-OE1 3.48Å |
| 309 | T | 89.6 | Confident | 88.2 | Confident | 39 Ų | 39 | 108.1 Ų | 108.1 | 24% | 0.239 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 130.4 | -167 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | R311 F319 V320 | T309-R311 HydrophobicContact CG2-CB 3.93Å; T309-R311 HydrophobicContact CG2-CG 3.43Å; T309-R311 VanDerWaalsContact CG2-CG 3.43Å; T309-F319 WeakPolarHBondContact O-CA 3.37Å; T309-V320 HydrophobicContact CG2-CG2 4.48Å; T309-V320 PolarHBondContact N-O 3.12Å; T309-V320 PolarHBondContact O-N 3.02Å |
| 310 | E | 90.7 | Very high | 88.7 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 38% | 0.379 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 104.5 | 165.7 | 177.6 | 165.7 | 174.1 | 0 | 0 | 106.3 | R317 F319 K337 | E310-R317 IonicContact OE1-CZ 3.95Å; E310-R317 IonicContact OE1-NH1 3.72Å; E310-R317 PolarHBondContact OE1-NH1 2.78Å; E310-F319 HydrophobicContact CB-CD1 4.12Å; E310-F319 HydrophobicContact CB-CE1 4.33Å; E310-F319 HydrophobicContact CG-CD1 3.81Å; E310-F319 HydrophobicContact CG-CE1 3.55Å; E310-F319 HydrophobicContact CG-CZ 4.4Å; E310-F319 WeakPolarHBondContact OE1-CE1 3.43Å; E310-F319 WeakPolarHBondContact OE2-CE1 3.42Å; E310-K337 WeakPolarHBondContact OE2-CE 3.45Å; E310-K337 IonicContact OE2-NZ 2.59Å; E310-K337 PolarHBondContact OE2-NZ 2.85Å |
| 311 | R | 82.1 | Confident | 89.2 | Confident | 179 Ų | 179 | 96.4 Ų | 96.4 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 168.6 | -177.2 | -84.1 | 175.8 | -162.8 | -173.9 | 6.3 | 110.4 | T309 E318 | T309-R311 HydrophobicContact CG2-CB 3.93Å; T309-R311 HydrophobicContact CG2-CG 3.43Å; T309-R311 VanDerWaalsContact CG2-CG 3.43Å; R311-E318 PolarHBondContact N-O 2.84Å; R311-E318 PolarHBondContact O-N 3.34Å; R311-E318 VanDerWaalsContact O-O 3.14Å |
| 312 | G | 78.3 | Confident | 89.6 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 96.4 | 163.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 313 | L | 78.9 | Confident | 89.9 | Confident | 133 Ų | 133 | 82.7 Ų | 82.7 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | trans | -64.3 | 151.9 | -178.2 | -72.8 | 145.5 | 0 | 0 | 0 | 110.8 | R315 R316 R317 | L313-R315 PolarHBondContact O-N 3.36Å; L313-R316 CarbonylContact O-C 3.25Å; L313-R316 WeakPolarHBondContact O-CA 3.3Å; L313-R316 PolarHBondContact O-N 3.46Å; L313-R317 PolarHBondContact O-N 3.38Å; L313-R317 VanDerWaalsContact O-N 3.11Å | ||
| 314 | P | 78.8 | Confident | 90 | Very high | 107 Ų | 107 | 86.7 Ų | 86.7 | 70% | 0.695 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -27.9 | 179 | -30.2 | 36.3 | 0 | 0 | 0 | 115.5 | ||
| 315 | R | 78.9 | Confident | 90 | Very high | 242 Ų | 242 | 82.7 Ų | 82.7 | 91% | 0.913 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14 | 176.6 | -164.6 | -179.9 | -72.5 | -157.4 | -0.3 | 114.2 | L313 | L313-R315 PolarHBondContact O-N 3.36Š|
| 316 | R | 81.6 | Confident | 89.6 | Confident | 212 Ų | 212 | 82.6 Ų | 82.6 | 80% | 0.8 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -145.3 | 66.2 | 178.5 | -71.6 | -172.3 | 177.9 | 172.6 | 0 | 109.4 | L313 | L313-R316 CarbonylContact O-C 3.25Å; L313-R316 WeakPolarHBondContact O-CA 3.3Å; L313-R316 PolarHBondContact O-N 3.46Å |
| 317 | R | 88.8 | Confident | 89.3 | Confident | 117 Ų | 117 | 86.7 Ų | 86.7 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | trans | -74.1 | 144.9 | 173.2 | -65.4 | -168.4 | -171.9 | -151.7 | -0.9 | 110.2 | E310 L313 F319 | E310-R317 IonicContact OE1-CZ 3.95Å; E310-R317 IonicContact OE1-NH1 3.72Å; E310-R317 PolarHBondContact OE1-NH1 2.78Å; L313-R317 PolarHBondContact O-N 3.38Å; L313-R317 VanDerWaalsContact O-N 3.11Å; R317-F319 HydrophobicContact CB-CE2 3.75Å; R317-F319 HydrophobicContact CB-CZ 3.99Å | ||
| 318 | E | 92 | Very high | 89.1 | Confident | 104 Ų | 104 | 87.5 Ų | 87.5 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.4 | 173.7 | -178.1 | 167.9 | -147.6 | 0 | 0 | 108.6 | R311 | R311-E318 PolarHBondContact N-O 2.84Å; R311-E318 PolarHBondContact O-N 3.34Å; R311-E318 VanDerWaalsContact O-O 3.14Å |
| 319 | F | 95.5 | Very high | 89.2 | Confident | 16 Ų | 16 | 87.5 Ų | 87.5 | 7% | 0.07 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.2 | -179.9 | -57.3 | -91.5 | 0 | 0 | 0 | 108.3 | L307 T309 E310 R317 A333 G334 T335 N336 K337 A340 | L307-F319 HydrophobicContact CD1-CB 4.28Å; L307-F319 HydrophobicContact CD1-CD1 4.33Å; T309-F319 WeakPolarHBondContact O-CA 3.37Å; E310-F319 HydrophobicContact CB-CD1 4.12Å; E310-F319 HydrophobicContact CB-CE1 4.33Å; E310-F319 HydrophobicContact CG-CD1 3.81Å; E310-F319 HydrophobicContact CG-CE1 3.55Å; E310-F319 HydrophobicContact CG-CZ 4.4Å; E310-F319 WeakPolarHBondContact OE1-CE1 3.43Å; E310-F319 WeakPolarHBondContact OE2-CE1 3.42Å; R317-F319 HydrophobicContact CB-CE2 3.75Å; R317-F319 HydrophobicContact CB-CZ 3.99Å; F319-A333 CarbonylContact O-C 3.02Å; F319-A333 WeakPolarHBondContact O-CA 3.2Å; F319-G334 PolarHBondContact N-O 3.48Å; F319-G334 PolarHBondContact O-N 2.99Å; F319-T335 WeakPolarHBondContact CD2-O 3.46Å; F319-T335 WeakPolarHBondContact CE2-O 3.42Å; F319-N336 VanDerWaalsContact CD2-CA 3.46Å; F319-K337 HydrophobicContact CB-CG 4.22Å; F319-K337 HydrophobicContact CD1-CD 4.01Å; F319-K337 HydrophobicContact CD1-CG 3.3Å; F319-K337 HydrophobicContact CD2-CG 4.43Å; F319-K337 HydrophobicContact CE1-CD 4.04Å; F319-K337 HydrophobicContact CE1-CG 3.59Å; F319-K337 HydrophobicContact CG-CG 3.74Å; F319-K337 HydrophobicContact CZ-CG 4.3Å; F319-A340 HydrophobicContact CB-CB 4.02Å; F319-A340 WeakPolarHBondContact O-CB 3.27Å |
| 320 | V | 95.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.6 | 172.4 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | L308 T309 E331 A333 | L308-V320 HydrophobicContact CD1-CG1 4.4Å; L308-V320 PolarHBondContact N-O 3.11Å; T309-V320 HydrophobicContact CG2-CG2 4.48Å; T309-V320 PolarHBondContact N-O 3.12Å; T309-V320 PolarHBondContact O-N 3.02Å; V320-E331 HydrophobicContact CG1-CB 4.4Å; V320-A333 HydrophobicContact CG2-CB 4.43Å |
| 321 | M | 97.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 86.6 Ų | 86.6 | 4% | 0.044 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.7 | 174.6 | -73.5 | -67 | -47.8 | 0 | 0 | 109 | M306 L307 E331 G332 A340 K341 A344 | M306-M321 CarbonylContact O-C 3.52Å; M306-M321 WeakPolarHBondContact O-CA 3.43Å; M306-M321 VanDerWaalsContact O-CE 3.28Å; M306-M321 WeakPolarHBondContact O-CE 3.42Å; L307-M321 HydrophobicContact CB-SD 3.87Å; L307-M321 HydrophobicContact CD1-SD 3.75Å; L307-M321 HydrophobicContact CG-SD 4.43Å; M321-E331 CarbonylContact O-C 3.54Å; M321-E331 WeakPolarHBondContact O-CA 3.23Å; M321-G332 PolarHBondContact N-O 3.49Å; M321-G332 PolarHBondContact O-N 3.31Å; M321-A340 HydrophobicContact CB-CB 3.98Å; M321-A340 HydrophobicContact CG-CB 3.53Å; M321-K341 HydrophobicContact CG-CB 4.21Å; M321-A344 HydrophobicContact CB-CB 4.22Å; M321-A344 WeakPolarHBondContact O-CB 3.5Å |
| 322 | Q | 96.5 | Very high | 90.4 | Very high | 29 Ų | 29 | 78.2 Ų | 78.2 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 145.8 | 165.7 | -164.2 | 177 | 73.1 | 0 | 0 | 109.2 | Y305 M306 L308 A330 E331 | Y305-Q322 CarbonylContact C-O 3.54Å; Y305-Q322 WeakPolarHBondContact CA-O 3.33Å; M306-Q322 PolarHBondContact N-O 3.24Å; M306-Q322 PolarHBondContact O-N 3.45Å; L308-Q322 HydrophobicContact CD1-CB 3.71Å; L308-Q322 HydrophobicContact CD1-CG 4.27Å; L308-Q322 HydrophobicContact CD2-CB 4.5Å; L308-Q322 HydrophobicContact CG-CB 3.83Å; Q322-A330 CarbonylContact C-O 3.52Å; Q322-A330 VanDerWaalsContact CA-O 3.31Å; Q322-A330 WeakPolarHBondContact CA-O 3.43Å; Q322-E331 HydrophobicContact CB-CG 4.02Å; Q322-E331 HydrophobicContact CG-CG 3.77Å; Q322-E331 PolarHBondContact NE2-OE1 2.85Å |
| 323 | V | 96.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.3 | 166.5 | 63.9 | 0 | 0 | 0 | 0 | 109.4 | L291 P303 E304 Y305 V325 T329 A330 A344 M348 | L291-V323 HydrophobicContact CD2-CG2 4.23Å; P303-V323 HydrophobicContact CB-CG2 3.85Å; E304-V323 CarbonylContact O-C 3.38Å; E304-V323 VanDerWaalsContact O-CA 3.28Å; E304-V323 WeakPolarHBondContact O-CA 3.11Å; Y305-V323 HydrophobicContact CD1-CB 3.6Å; Y305-V323 HydrophobicContact CD1-CG2 3.63Å; Y305-V323 HydrophobicContact CD2-CG2 4.38Å; Y305-V323 HydrophobicContact CE1-CB 3.61Å; Y305-V323 HydrophobicContact CE1-CG1 4.41Å; Y305-V323 HydrophobicContact CE1-CG2 3.41Å; Y305-V323 VanDerWaalsContact CE1-CG2 3.41Å; Y305-V323 HydrophobicContact CE2-CG2 4.18Å; Y305-V323 HydrophobicContact CG-CB 4.41Å; Y305-V323 HydrophobicContact CG-CG2 4.13Å; V323-V325 HydrophobicContact CG2-CG2 4.21Å; V323-T329 WeakPolarHBondContact O-CA 3.23Å; V323-A330 HydrophobicContact CG1-CB 3.97Å; V323-A330 PolarHBondContact N-O 2.99Å; V323-A330 PolarHBondContact O-N 3.43Å; V323-A344 HydrophobicContact CB-CB 4.43Å; V323-A344 HydrophobicContact CG1-CB 4.06Å; V323-A344 VanDerWaalsContact CG1-O 3.23Å; V323-A344 WeakPolarHBondContact CG1-O 2.93Å; V323-M348 HydrophobicContact CG1-CB 3.63Å; V323-M348 HydrophobicContact CG1-CE 3.93Å; V323-M348 HydrophobicContact CG1-CG 4.11Å; V323-M348 WeakPolarHBondContact O-CE 3.38Å |
| 324 | K | 95 | Very high | 91.9 | Very high | 102 Ų | 102 | 71.8 Ų | 71.8 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.8 | 177 | -176 | 174.8 | -178.5 | 177.4 | 0 | 109.9 | E304 H328 T329 | E304-K324 HydrophobicContact CB-CB 4.48Å; E304-K324 PolarHBondContact N-O 3.36Å; E304-K324 PolarHBondContact O-N 3.36Å; K324-H328 WeakPolarHBondContact CA-O 3.25Å; K324-T329 HydrophobicContact CB-CG2 4.15Å; K324-T329 HydrophobicContact CD-CG2 4.39Å; K324-T329 HydrophobicContact CG-CG2 3.96Å |
| 325 | V | 93.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 105.2 | -179.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | L291 Q295 P303 V323 N327 H328 M348 L352 | L291-V325 HydrophobicContact CD1-CG2 4.41Å; L291-V325 HydrophobicContact CD2-CG2 4.26Å; Q295-V325 HydrophobicContact CG-CG1 3.94Å; P303-V325 HydrophobicContact CB-CG2 3.76Å; V323-V325 HydrophobicContact CG2-CG2 4.21Å; V325-N327 PolarHBondContact O-N 3.43Å; V325-N327 VanDerWaalsContact O-N 3.11Å; V325-H328 PolarHBondContact N-O 3.1Å; V325-H328 PolarHBondContact O-N 3.36Å; V325-M348 HydrophobicContact CB-CE 4.02Å; V325-M348 HydrophobicContact CB-CG 4.16Å; V325-M348 HydrophobicContact CB-SD 3.78Å; V325-M348 HydrophobicContact CG2-CE 3.95Å; V325-M348 HydrophobicContact CG2-CG 3.61Å; V325-M348 HydrophobicContact CG2-SD 3.87Å; V325-L352 HydrophobicContact CB-CD1 4.49Å; V325-L352 HydrophobicContact CG1-CD1 4.02Å |
| 326 | G | 87.4 | Confident | 93.3 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -116.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 327 | N | 89.1 | Confident | 93.8 | Very high | 165 Ų | 165 | 58.9 Ų | 58.9 | 88% | 0.882 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.2 | 179.1 | -64.6 | -7.9 | 0 | 0 | 0 | 113.8 | V325 | V325-N327 PolarHBondContact O-N 3.43Å; V325-N327 VanDerWaalsContact O-N 3.11Å |
| 328 | H | 92.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143.5 | -179.7 | -59.1 | -70.9 | 0 | 0 | 0 | 111.4 | K324 V325 M348 I351 | K324-H328 WeakPolarHBondContact CA-O 3.25Å; V325-H328 PolarHBondContact N-O 3.1Å; V325-H328 PolarHBondContact O-N 3.36Å; H328-M348 HydrophobicContact CB-CE 4.06Å; H328-M348 HydrophobicContact CB-SD 3.86Å; H328-M348 WeakPolarHBondContact O-CE 3.28Å; H328-I351 HydrophobicContact CB-CG2 4.08Å |
| 329 | T | 95.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.1 | 171.3 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | V323 K324 | V323-T329 WeakPolarHBondContact O-CA 3.23Å; K324-T329 HydrophobicContact CB-CG2 4.15Å; K324-T329 HydrophobicContact CD-CG2 4.39Å; K324-T329 HydrophobicContact CG-CG2 3.96Å |
| 330 | A | 95.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q322 V323 N347 M348 I351 | Q322-A330 CarbonylContact C-O 3.52Å; Q322-A330 VanDerWaalsContact CA-O 3.31Å; Q322-A330 WeakPolarHBondContact CA-O 3.43Å; V323-A330 HydrophobicContact CG1-CB 3.97Å; V323-A330 PolarHBondContact N-O 2.99Å; V323-A330 PolarHBondContact O-N 3.43Å; A330-N347 HydrophobicContact CB-CB 4.16Å; A330-M348 HydrophobicContact CB-CB 3.82Å; A330-M348 HydrophobicContact CB-CE 3.7Å; A330-M348 HydrophobicContact CB-SD 4.45Å; A330-I351 HydrophobicContact CB-CD1 3.8Å |
| 331 | E | 96.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 59.6 Ų | 59.6 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145 | 179.8 | -69.5 | 177.5 | -160.6 | 0 | 0 | 110.7 | L308 V320 M321 Q322 N347 | L308-E331 HydrophobicContact CD1-CG 3.85Å; L308-E331 VanDerWaalsContact CD1-OE1 3.28Å; L308-E331 WeakPolarHBondContact CD1-OE1 3.48Å; V320-E331 HydrophobicContact CG1-CB 4.4Å; M321-E331 CarbonylContact O-C 3.54Å; M321-E331 WeakPolarHBondContact O-CA 3.23Å; Q322-E331 HydrophobicContact CB-CG 4.02Å; Q322-E331 HydrophobicContact CG-CG 3.77Å; Q322-E331 PolarHBondContact NE2-OE1 2.85Å; E331-N347 PolarHBondContact O-ND2 3.37Å |
| 332 | G | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 121.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M321 A340 | M321-G332 PolarHBondContact N-O 3.49Å; M321-G332 PolarHBondContact O-N 3.31Å; G332-A340 WeakPolarHBondContact O-CB 3.19Å |
| 333 | A | 95.3 | Very high | 94 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 153.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F319 V320 N343 | F319-A333 CarbonylContact O-C 3.02Å; F319-A333 WeakPolarHBondContact O-CA 3.2Å; V320-A333 HydrophobicContact CG2-CB 4.43Å; A333-N343 PolarHBondContact O-ND2 3.01Å |
| 334 | G | 93.8 | Very high | 94 | Very high | 12 Ų | 12 | 65 Ų | 65 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 160 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F319 N336 | F319-G334 PolarHBondContact N-O 3.48Å; F319-G334 PolarHBondContact O-N 2.99Å; G334-N336 PolarHBondContact O-N 2.93Å; G334-N336 VanDerWaalsContact O-N 3.14Å |
| 335 | T | 92.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -63.8 | -19 | -178 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | F319 | F319-T335 WeakPolarHBondContact CD2-O 3.46Å; F319-T335 WeakPolarHBondContact CE2-O 3.42Å |
| 336 | N | 93.3 | Very high | 94.1 | Very high | 98 Ų | 98 | 63.4 Ų | 63.4 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -138.2 | 147.8 | 177.9 | -74.6 | -25.8 | 0 | 0 | 0 | 109.5 | F319 G334 K338 V339 A340 | F319-N336 VanDerWaalsContact CD2-CA 3.46Å; G334-N336 PolarHBondContact O-N 2.93Å; G334-N336 VanDerWaalsContact O-N 3.14Å; N336-K338 PolarHBondContact O-N 2.86Å; N336-V339 HydrophobicContact CB-CG2 4.31Å; N336-V339 PolarHBondContact O-N 2.98Å; N336-A340 PolarHBondContact O-N 2.89Å |
| 337 | K | 93.1 | Very high | 94.4 | Very high | 95 Ų | 95 | 64.3 Ų | 64.3 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -48.3 | -33.9 | 175.1 | -60.6 | -172.6 | -174.5 | -169 | 0 | 113.5 | L307 E310 F319 K341 | L307-K337 HydrophobicContact CD2-CD 4.08Å; L307-K337 VanDerWaalsContact CD2-NZ 3.33Å; E310-K337 WeakPolarHBondContact OE2-CE 3.45Å; E310-K337 IonicContact OE2-NZ 2.59Å; E310-K337 PolarHBondContact OE2-NZ 2.85Å; F319-K337 HydrophobicContact CB-CG 4.22Å; F319-K337 HydrophobicContact CD1-CD 4.01Å; F319-K337 HydrophobicContact CD1-CG 3.3Å; F319-K337 HydrophobicContact CD2-CG 4.43Å; F319-K337 HydrophobicContact CE1-CD 4.04Å; F319-K337 HydrophobicContact CE1-CG 3.59Å; F319-K337 HydrophobicContact CG-CG 3.74Å; F319-K337 HydrophobicContact CZ-CG 4.3Å; K337-K341 VanDerWaalsContact O-CB 3.23Å; K337-K341 WeakPolarHBondContact O-CB 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å |
| 338 | K | 93.7 | Very high | 94.7 | Very high | 165 Ų | 165 | 56.4 Ų | 56.4 | 72% | 0.717 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -72.5 | -34.8 | 176.8 | -171.6 | 175.8 | -177.3 | 177.4 | 0 | 114 | N336 R342 | N336-K338 PolarHBondContact O-N 2.86Å; K338-R342 PolarHBondContact O-N 2.96Å |
| 339 | V | 93.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76.1 | -47.2 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | N336 K341 R342 N343 | N336-V339 HydrophobicContact CB-CG2 4.31Å; N336-V339 PolarHBondContact O-N 2.98Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.33Å; V339-R342 WeakPolarHBondContact O-CA 3.22Å; V339-R342 WeakPolarHBondContact O-CB 3.39Å; V339-R342 PolarHBondContact O-N 2.59Å; V339-N343 VanDerWaalsContact O-CG 3.3Å; V339-N343 PolarHBondContact O-N 2.99Å; V339-N343 PolarHBondContact O-OD1 2.95Å |
| 340 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.2 | -47.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F319 M321 G332 N336 R342 N343 A344 | F319-A340 HydrophobicContact CB-CB 4.02Å; F319-A340 WeakPolarHBondContact O-CB 3.27Å; M321-A340 HydrophobicContact CB-CB 3.98Å; M321-A340 HydrophobicContact CG-CB 3.53Å; G332-A340 WeakPolarHBondContact O-CB 3.19Å; N336-A340 PolarHBondContact O-N 2.89Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.02Å; A340-N343 PolarHBondContact O-N 3.42Å; A340-A344 WeakPolarHBondContact O-CB 3.3Å; A340-A344 PolarHBondContact O-N 2.93Å |
| 341 | K | 95.6 | Very high | 94.3 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 175.7 | -175.7 | 173.5 | -68.7 | -159.6 | 0 | 113.1 | I288 Y305 M321 K337 V339 A345 | I288-K341 HydrophobicContact CD1-CB 4.41Å; I288-K341 HydrophobicContact CD1-CD 4.34Å; I288-K341 HydrophobicContact CD1-CG 3.94Å; I288-K341 HydrophobicContact CG1-CG 4.47Å; Y305-K341 HydrophobicContact CD1-CD 4.04Å; Y305-K341 HydrophobicContact CD1-CG 3.57Å; Y305-K341 HydrophobicContact CD2-CD 4.39Å; Y305-K341 HydrophobicContact CE1-CD 4.3Å; Y305-K341 HydrophobicContact CE1-CG 3.63Å; Y305-K341 HydrophobicContact CG-CD 4.08Å; Y305-K341 HydrophobicContact CG-CG 4.12Å; M321-K341 HydrophobicContact CG-CB 4.21Å; K337-K341 VanDerWaalsContact O-CB 3.23Å; K337-K341 WeakPolarHBondContact O-CB 3.42Å; K337-K341 PolarHBondContact O-N 3.14Å; V339-K341 VanDerWaalsContact C-N 3.31Å; V339-K341 PolarHBondContact O-N 3.33Å; K341-A345 PolarHBondContact O-N 2.68Å |
| 342 | R | 95.6 | Very high | 94 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -50.4 | 175.5 | -177.4 | -172.6 | -76.2 | 150.9 | -6.6 | 110.8 | N286 P287 I288 K338 V339 A340 A344 A345 E346 | N286-R342 PolarHBondContact OD1-NE 3.1Å; P287-R342 HydrophobicContact CG-CG 3.5Å; I288-R342 HydrophobicContact CD1-CB 4.17Å; I288-R342 HydrophobicContact CG1-CB 4.36Å; K338-R342 PolarHBondContact O-N 2.96Å; V339-R342 WeakPolarHBondContact O-CA 3.22Å; V339-R342 WeakPolarHBondContact O-CB 3.39Å; V339-R342 PolarHBondContact O-N 2.59Å; A340-R342 VanDerWaalsContact C-N 3.31Å; A340-R342 PolarHBondContact O-N 3.02Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.93Å; R342-A345 WeakPolarHBondContact O-CB 3.28Å; R342-A345 PolarHBondContact O-N 2.68Å; R342-A345 VanDerWaalsContact O-N 3.13Å; R342-E346 PolarHBondContact O-N 2.93Å |
| 343 | N | 95.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | -177.9 | -61.1 | 4.4 | 0 | 0 | 0 | 110.8 | A333 V339 A340 A345 E346 N347 | A333-N343 PolarHBondContact O-ND2 3.01Å; V339-N343 VanDerWaalsContact O-CG 3.3Å; V339-N343 PolarHBondContact O-N 2.99Å; V339-N343 PolarHBondContact O-OD1 2.95Å; A340-N343 PolarHBondContact O-N 3.42Å; N343-A345 PolarHBondContact O-N 3.1Å; N343-E346 WeakPolarHBondContact O-CB 3.46Å; N343-E346 PolarHBondContact O-N 3.11Å; N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.86Å; N343-N347 PolarHBondContact O-OD1 3.18Å |
| 344 | A | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M321 V323 A340 R342 M348 | M321-A344 HydrophobicContact CB-CB 4.22Å; M321-A344 WeakPolarHBondContact O-CB 3.5Å; V323-A344 HydrophobicContact CB-CB 4.43Å; V323-A344 HydrophobicContact CG1-CB 4.06Å; V323-A344 VanDerWaalsContact CG1-O 3.23Å; V323-A344 WeakPolarHBondContact CG1-O 2.93Å; A340-A344 WeakPolarHBondContact O-CB 3.3Å; A340-A344 PolarHBondContact O-N 2.93Å; R342-A344 VanDerWaalsContact C-N 3.3Å; R342-A344 PolarHBondContact O-N 2.93Å; A344-M348 WeakPolarHBondContact O-CB 3.27Å; A344-M348 PolarHBondContact O-N 3.49Å |
| 345 | A | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.3 | -33.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | I288 L291 Y305 K341 R342 N343 L349 | I288-A345 HydrophobicContact CB-CB 4.35Å; I288-A345 HydrophobicContact CG1-CB 3.94Å; L291-A345 HydrophobicContact CD2-CB 4Å; Y305-A345 HydrophobicContact CE1-CB 4.25Å; Y305-A345 WeakPolarHBondContact OH-CB 3.46Å; K341-A345 PolarHBondContact O-N 2.68Å; R342-A345 WeakPolarHBondContact O-CB 3.28Å; R342-A345 PolarHBondContact O-N 2.68Å; R342-A345 VanDerWaalsContact O-N 3.13Å; N343-A345 PolarHBondContact O-N 3.1Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.09Å |
| 346 | E | 93.8 | Very high | 89.7 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.3 | -50.2 | 175 | -172.8 | 165.4 | -173.9 | 0 | 0 | 111.2 | P287 R342 N343 M348 L349 E350 V356 | P287-E346 HydrophobicContact CB-CB 4.25Å; P287-E346 HydrophobicContact CG-CB 4.26Å; R342-E346 PolarHBondContact O-N 2.93Å; N343-E346 WeakPolarHBondContact O-CB 3.46Å; N343-E346 PolarHBondContact O-N 3.11Å; E346-M348 VanDerWaalsContact C-N 3.26Å; E346-M348 PolarHBondContact O-N 2.87Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.24Å; E346-L349 VanDerWaalsContact O-N 3.1Å; E346-E350 PolarHBondContact O-N 3.11Å; E346-E350 VanDerWaalsContact O-N 3.08Å; E346-V356 HydrophobicContact CG-CG1 4.45Å; E346-V356 HydrophobicContact CG-CG2 4.33Å |
| 347 | N | 94.9 | Very high | 87.7 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 174.9 | -65.5 | -5.9 | 0 | 0 | 0 | 112.1 | A330 E331 N343 E350 I351 | A330-N347 HydrophobicContact CB-CB 4.16Å; E331-N347 PolarHBondContact O-ND2 3.37Å; N343-N347 VanDerWaalsContact O-CG 3.3Å; N343-N347 PolarHBondContact O-N 2.86Å; N343-N347 PolarHBondContact O-OD1 3.18Å; N347-E350 PolarHBondContact O-N 2.92Å; N347-I351 WeakPolarHBondContact O-CG1 3.39Å; N347-I351 PolarHBondContact O-N 3.23Å |
| 348 | M | 94.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 174.4 | -177.5 | 55.5 | 74.8 | 0 | 0 | 113 | L291 V323 V325 H328 A330 A344 E346 E350 I351 L352 | L291-M348 HydrophobicContact CD1-CB 4.48Å; L291-M348 HydrophobicContact CD1-CG 3.81Å; L291-M348 HydrophobicContact CD2-CB 3.93Å; L291-M348 HydrophobicContact CD2-CG 3.73Å; L291-M348 HydrophobicContact CG-CG 4.44Å; V323-M348 HydrophobicContact CG1-CB 3.63Å; V323-M348 HydrophobicContact CG1-CE 3.93Å; V323-M348 HydrophobicContact CG1-CG 4.11Å; V323-M348 WeakPolarHBondContact O-CE 3.38Å; V325-M348 HydrophobicContact CB-CE 4.02Å; V325-M348 HydrophobicContact CB-CG 4.16Å; V325-M348 HydrophobicContact CB-SD 3.78Å; V325-M348 HydrophobicContact CG2-CE 3.95Å; V325-M348 HydrophobicContact CG2-CG 3.61Å; V325-M348 HydrophobicContact CG2-SD 3.87Å; H328-M348 HydrophobicContact CB-CE 4.06Å; H328-M348 HydrophobicContact CB-SD 3.86Å; H328-M348 WeakPolarHBondContact O-CE 3.28Å; A330-M348 HydrophobicContact CB-CB 3.82Å; A330-M348 HydrophobicContact CB-CE 3.7Å; A330-M348 HydrophobicContact CB-SD 4.45Å; A344-M348 WeakPolarHBondContact O-CB 3.27Å; A344-M348 PolarHBondContact O-N 3.49Å; E346-M348 VanDerWaalsContact C-N 3.26Å; E346-M348 PolarHBondContact O-N 2.87Å; M348-E350 VanDerWaalsContact C-N 3.29Å; M348-E350 PolarHBondContact O-N 2.98Å; M348-I351 PolarHBondContact O-N 3.27Å; M348-L352 HydrophobicContact CG-CD1 3.87Å; M348-L352 HydrophobicContact CG-CG 4.43Å; M348-L352 WeakPolarHBondContact O-CB 3.28Å; M348-L352 VanDerWaalsContact O-CG 3.22Å; M348-L352 WeakPolarHBondContact O-CG 3.45Å; M348-L352 PolarHBondContact O-N 3.14Å; M348-L352 HydrophobicContact SD-CD1 3.97Å; M348-L352 HydrophobicContact SD-CG 4.01Å |
| 349 | L | 92.7 | Very high | 83.7 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.3 | -75.4 | 168.6 | 0 | 0 | 0 | 111.4 | P287 R290 L291 I294 A345 E346 L352 G353 F354 V356 | P287-L349 HydrophobicContact CB-CD1 3.66Å; R290-L349 HydrophobicContact CB-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD1 4.25Å; R290-L349 HydrophobicContact CG-CD2 4.38Å; L291-L349 HydrophobicContact CB-CD2 4.01Å; L291-L349 HydrophobicContact CB-CG 4.13Å; L291-L349 HydrophobicContact CD1-CD2 3.86Å; L291-L349 HydrophobicContact CD1-CG 4.2Å; I294-L349 HydrophobicContact CD1-CD2 3.55Å; A345-L349 VanDerWaalsContact O-CG 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.31Å; A345-L349 PolarHBondContact O-N 3.09Å; E346-L349 WeakPolarHBondContact O-CB 3.37Å; E346-L349 PolarHBondContact O-N 3.24Å; E346-L349 VanDerWaalsContact O-N 3.1Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.35Å; L349-G353 PolarHBondContact O-N 3.15Å; L349-F354 HydrophobicContact CB-CB 4.42Å; L349-F354 HydrophobicContact CD2-CB 4.09Å; L349-F354 HydrophobicContact CD2-CD2 4.48Å; L349-F354 WeakPolarHBondContact O-CA 3.36Å; L349-F354 PolarHBondContact O-N 3.23Å; L349-V356 HydrophobicContact CB-CG2 3.95Å; L349-V356 HydrophobicContact CD1-CG2 3.87Å |
| 350 | E | 91.4 | Very high | 80.8 | Confident | 144 Ų | 144 | 73 Ų | 73 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 175.6 | -173.4 | 169.2 | -153.8 | 0 | 0 | 112.2 | E346 N347 M348 L352 G353 | E346-E350 PolarHBondContact O-N 3.11Å; E346-E350 VanDerWaalsContact O-N 3.08Å; N347-E350 PolarHBondContact O-N 2.92Å; M348-E350 VanDerWaalsContact C-N 3.29Å; M348-E350 PolarHBondContact O-N 2.98Å; E350-L352 VanDerWaalsContact C-N 3.27Å; E350-L352 PolarHBondContact O-N 3.13Å; E350-G353 PolarHBondContact O-N 3.26Å |
| 351 | I | 91.9 | Very high | 78.2 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 175.4 | -69.8 | 163.7 | 0 | 0 | 0 | 111.8 | H328 A330 N347 M348 G353 | H328-I351 HydrophobicContact CB-CG2 4.08Å; A330-I351 HydrophobicContact CB-CD1 3.8Å; N347-I351 WeakPolarHBondContact O-CG1 3.39Å; N347-I351 PolarHBondContact O-N 3.23Å; M348-I351 PolarHBondContact O-N 3.27Å; I351-G353 PolarHBondContact O-N 3.43Å |
| 352 | L | 88.1 | Confident | 75.7 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.7 | 176.6 | -66.3 | 170.7 | 0 | 0 | 0 | 113.6 | L291 V325 M348 L349 E350 F354 | L291-L352 HydrophobicContact CD1-CD1 3.61Å; V325-L352 HydrophobicContact CB-CD1 4.49Å; V325-L352 HydrophobicContact CG1-CD1 4.02Å; M348-L352 HydrophobicContact CG-CD1 3.87Å; M348-L352 HydrophobicContact CG-CG 4.43Å; M348-L352 WeakPolarHBondContact O-CB 3.28Å; M348-L352 VanDerWaalsContact O-CG 3.22Å; M348-L352 WeakPolarHBondContact O-CG 3.45Å; M348-L352 PolarHBondContact O-N 3.14Å; M348-L352 HydrophobicContact SD-CD1 3.97Å; M348-L352 HydrophobicContact SD-CG 4.01Å; L349-L352 CarbonylContact O-C 3.53Å; L349-L352 PolarHBondContact O-N 3.35Å; E350-L352 VanDerWaalsContact C-N 3.27Å; E350-L352 PolarHBondContact O-N 3.13Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 HydrophobicContact CB-CD2 3.63Å; L352-F354 HydrophobicContact CB-CE2 3.88Å; L352-F354 WeakPolarHBondContact O-CD2 3.42Å; L352-F354 WeakPolarHBondContact O-CE2 3.35Å; L352-F354 PolarHBondContact O-N 2.82Å |
| 353 | G | 83.3 | Confident | 72.8 | Confident | 61 Ų | 61 | 84.9 Ų | 84.9 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 3.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L349 E350 I351 K355 | L349-G353 PolarHBondContact O-N 3.15Å; E350-G353 PolarHBondContact O-N 3.26Å; I351-G353 PolarHBondContact O-N 3.43Å; G353-K355 PolarHBondContact O-N 2.82Å; G353-K355 VanDerWaalsContact O-N 3.16Å |
| 354 | F | 81.4 | Confident | 70.3 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 34% | 0.338 | 48% | 0.478 | S | S | . | . | trans | -85.8 | 86.1 | 178.5 | -62 | -76.7 | 0 | 0 | 0 | 110 | I294 L349 L352 V356 | I294-F354 HydrophobicContact CD1-CB 4.22Å; I294-F354 HydrophobicContact CD1-CD1 3.88Å; I294-F354 HydrophobicContact CD1-CD2 3.95Å; I294-F354 HydrophobicContact CD1-CE1 4.23Å; I294-F354 HydrophobicContact CD1-CE2 4.31Å; I294-F354 HydrophobicContact CD1-CG 3.74Å; I294-F354 HydrophobicContact CD1-CZ 4.43Å; I294-F354 HydrophobicContact CG2-CD2 4.15Å; I294-F354 HydrophobicContact CG2-CE1 4.34Å; I294-F354 HydrophobicContact CG2-CE2 3.5Å; I294-F354 HydrophobicContact CG2-CZ 3.61Å; L349-F354 HydrophobicContact CB-CB 4.42Å; L349-F354 HydrophobicContact CD2-CB 4.09Å; L349-F354 HydrophobicContact CD2-CD2 4.48Å; L349-F354 WeakPolarHBondContact O-CA 3.36Å; L349-F354 PolarHBondContact O-N 3.23Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 HydrophobicContact CB-CD2 3.63Å; L352-F354 HydrophobicContact CB-CE2 3.88Å; L352-F354 WeakPolarHBondContact O-CD2 3.42Å; L352-F354 WeakPolarHBondContact O-CE2 3.35Å; L352-F354 PolarHBondContact O-N 2.82Å; F354-V356 PolarHBondContact O-N 2.88Å | ||
| 355 | K | 63.6 | Low | 67.5 | Low | 199 Ų | 199 | 92.1 Ų | 92.1 | 87% | 0.865 | 51% | 0.513 | S | S | * | . | trans | -48.4 | 110.2 | 177.2 | -73.5 | -169.7 | 176.6 | -174.4 | 0 | 111.5 | G353 P357 | G353-K355 PolarHBondContact O-N 2.82Å; G353-K355 VanDerWaalsContact O-N 3.16Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å | ||
| 356 | V | 59.3 | Low | 65 | Low | 56 Ų | 56 | 100.3 Ų | 100.3 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | trans | -74.5 | 123.3 | 161.5 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | E346 L349 F354 Q358 | E346-V356 HydrophobicContact CG-CG1 4.45Å; E346-V356 HydrophobicContact CG-CG2 4.33Å; L349-V356 HydrophobicContact CB-CG2 3.95Å; L349-V356 HydrophobicContact CD1-CG2 3.87Å; F354-V356 PolarHBondContact O-N 2.88Å; V356-Q358 PolarHBondContact O-N 2.84Å | ||
| 357 | P | 51.8 | Low | 62.6 | Low | 82 Ų | 82 | 106.8 Ų | 106.8 | 53% | 0.532 | 58% | 0.583 | S | S | . | * | trans | -60.4 | 115.9 | 170.7 | -21.1 | 33.1 | 0 | 0 | 0 | 108.4 | Q283 K355 A359 | Q283-P357 HydrophobicContact CG-CG 4.41Å; K355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-A359 PolarHBondContact O-N 2.96Å | ||
| 358 | Q | 51.2 | Low | 59.8 | Low | 165 Ų | 165 | 109.2 Ų | 109.2 | 77% | 0.771 | 61% | 0.605 | S | S | * | * | trans | -51.8 | 119.5 | 174.9 | -173.8 | -176.9 | 35.1 | 0 | 0 | 108.3 | V356 Q360 | V356-Q358 PolarHBondContact O-N 2.84Å; Q358-Q360 PolarHBondContact O-N 2.83Å | ||
| 359 | A | 50.8 | Low | 57.1 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | trans | -58.3 | 111.3 | 176 | 0 | 0 | 0 | 0 | 0 | 107.9 | P357 P361 | P357-A359 PolarHBondContact O-N 2.96Å; A359-P361 WeakPolarHBondContact O-CD 3.34Å; A359-P361 VanDerWaalsContact O-N 3.07Å | ||
| 360 | Q | 32.8 | Very low | 54.2 | Low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | -54.7 | 119.6 | -173.8 | -78.4 | -171.2 | -10.4 | 0 | 0 | 109.4 | Q358 T362 | Q358-Q360 PolarHBondContact O-N 2.83Å; Q360-T362 PolarHBondContact O-N 3.36Å | ||
| 361 | P | 41.6 | Very low | 51.5 | Low | 90 Ų | 90 | 129.3 Ų | 129.3 | 58% | 0.584 | 70% | 0.696 | S | S | * | * | trans | -62.3 | 129.8 | 170.3 | 25.7 | -31.6 | 0 | 0 | 0 | 107.7 | A359 K363 | A359-P361 WeakPolarHBondContact O-CD 3.34Å; A359-P361 VanDerWaalsContact O-N 3.07Å; P361-K363 PolarHBondContact O-N 2.98Å | ||
| 362 | T | 43 | Very low | 48.7 | Very low | 141 Ų | 141 | 132 Ų | 132 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | trans | -58.1 | 107.9 | 168.8 | 45.6 | 0 | 0 | 0 | 0 | 108 | Q360 P364 | Q360-T362 PolarHBondContact O-N 3.36Å; T362-P364 WeakPolarHBondContact O-CD 3.49Å | ||
| 363 | K | 34.5 | Very low | 46.1 | Very low | 196 Ų | 196 | 136.2 Ų | 136.2 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | trans | -20.1 | 104.8 | -173.6 | -61.7 | 175.9 | -178.4 | 179.4 | 0 | 114.7 | P361 A365 | P361-K363 PolarHBondContact O-N 2.98Å; K363-A365 PolarHBondContact O-N 3.24Å | ||
| 364 | P | 42.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -70.7 | 104.8 | 147.4 | 30 | -28.5 | 0 | 0 | 0 | 106.9 | T362 L366 | T362-P364 WeakPolarHBondContact O-CD 3.49Å; P364-L366 PolarHBondContact O-N 3.32Å; P364-L366 VanDerWaalsContact O-N 3.11Å | ||
| 365 | A | 39.1 | Very low | 41.5 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -76 | 95.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | K363 | K363-A365 PolarHBondContact O-N 3.24Š| ||
| 366 | L | 42.1 | Very low | 40 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -168.1 | 134.7 | 153.4 | -102 | 151.5 | 0 | 0 | 0 | 109.4 | P364 | P364-L366 PolarHBondContact O-N 3.32Å; P364-L366 VanDerWaalsContact O-N 3.11Å | ||
| 367 | K | 43.9 | Very low | 39.1 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 141.6 | -174.8 | -58.3 | 167.4 | 179 | 176 | 0 | 110.2 | ||||
| 368 | S | 36.5 | Very low | 38 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -162.6 | 100.8 | 146.7 | 47 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 369 | E | 37.5 | Very low | 36.9 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | trans | -68.7 | 122.2 | 157.3 | -58.3 | -86.2 | 145.3 | 0 | 0 | 107.1 | ||||
| 370 | E | 31.1 | Very low | 36.1 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -150 | 116.7 | 153.6 | -153.2 | 166.1 | 140.6 | 0 | 0 | 111.6 | ||||
| 371 | K | 35.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | trans | -77.1 | 143.5 | 167.9 | -73.2 | 173.6 | 177.1 | 172.5 | 0 | 108.8 | P373 | K371-P373 WeakPolarHBondContact O-CD 3.05Š| ||
| 372 | T | 34.3 | Very low | 36.2 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 87% | 0.865 | 84% | 0.843 | S | S | * | * | trans | -55.9 | 142.9 | 168.6 | 46 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 373 | P | 33.5 | Very low | 35.7 | Very low | 118 Ų | 118 | 157.7 Ų | 157.7 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | trans | -128.1 | 163.7 | 142.8 | 29.9 | -14 | 0 | 0 | 0 | 113.4 | K371 | K371-P373 WeakPolarHBondContact O-CD 3.05Š| ||
| 374 | I | 34.8 | Very low | 35.7 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | trans | -86.4 | 144.6 | -167.6 | -72.9 | 154.8 | 0 | 0 | 0 | 112.1 | ||||
| 375 | K | 31.8 | Very low | 35.2 | Very low | 201 Ų | 201 | 158.6 Ų | 158.6 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | trans | -66.7 | 136.8 | 173.5 | -92.7 | -177.7 | 170 | 179.1 | 0 | 113.4 | ||||
| 376 | K | 32.9 | Very low | 34.7 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | trans | -142.2 | 155.5 | 140 | -79.9 | -165.1 | 177.4 | -179.1 | 0 | 110 | ||||
| 377 | P | 39.3 | Very low | 34.2 | Very low | 131 Ų | 131 | 164.3 Ų | 164.3 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | -106.9 | 167.1 | -169.6 | 40 | -34.1 | 0 | 0 | 0 | 115.3 | ||||
| 378 | G | 28.6 | Very low | 34 | Very low | 81 Ų | 81 | 160.6 Ų | 160.6 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | 96.4 | 142.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 379 | D | 29 | Very low | 33.5 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | cis | -159 | 171.8 | 2.8 | 177.5 | 31.1 | 0 | 0 | 0 | 108.7 | ||||
| 380 | G | 34.3 | Very low | 33 | Very low | 61 Ų | 61 | 154.7 Ų | 154.7 | 63% | 0.629 | 83% | 0.833 | S | S | * | * | trans | 100 | 106.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 381 | R | 39.8 | Very low | 32.9 | Very low | 246 Ų | 246 | 149 Ų | 149 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | trans | -52.1 | 146 | 164.9 | -69.7 | 167.1 | 164.9 | 151 | -7.7 | 113.3 | ||||
| 382 | K | 36.2 | Very low | 32.7 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | -169.5 | 140.6 | 111.6 | 43 | -152.8 | 166 | -175.2 | 0 | 113.4 | |||||
| 383 | V | 32.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 148 Ų | 148 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | trans | -101.1 | 135.1 | 178.9 | 176 | 0 | 0 | 0 | 0 | 107.9 | F385 | V383-F385 HydrophobicContact CG1-CD2 3.93Å; V383-F385 HydrophobicContact CG1-CE2 3.88Å | ||
| 384 | T | 34.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -132.4 | 116.6 | 163.4 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 385 | F | 31.7 | Very low | 31.9 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -66.3 | 153.2 | 170.9 | -76.1 | -112.7 | 0 | 0 | 0 | 110.2 | V383 | V383-F385 HydrophobicContact CG1-CD2 3.93Å; V383-F385 HydrophobicContact CG1-CE2 3.88Å | ||
| 386 | F | 29.6 | Very low | 31.7 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 127.7 | 152.6 | -141.1 | -93 | 0 | 0 | 0 | 109.2 | ||||
| 387 | E | 29.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -106.1 | 148.1 | -174.7 | -170.8 | 172.9 | 165.2 | 0 | 0 | 109 | ||||
| 388 | P | 40.6 | Very low | 30.9 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -93.3 | 149.9 | -172.4 | 35.6 | -34.1 | 0 | 0 | 0 | 113.7 | ||||
| 389 | G | 26.3 | Very low | 31.3 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -155.3 | 162.6 | 155 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 390 | S | 27.4 | Very low | 31.2 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | cis | 164.9 | 117.3 | -11.7 | 42.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 391 | G | 28.6 | Very low | 31 | Very low | 63 Ų | 63 | 147.2 Ų | 147.2 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 75.1 | 158.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 392 | D | 30.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | cis | -170.8 | 162 | -4.7 | -81.7 | -41.2 | 0 | 0 | 0 | 106.9 | ||||
| 393 | E | 31.6 | Very low | 30.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | cis | -162.2 | 179.8 | -12.3 | -125.4 | -70.3 | 67.9 | 0 | 0 | 109.3 | ||||
| 394 | N | 26.3 | Very low | 29.7 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | 76.4 | 135.2 | 167.2 | -67.1 | -57.1 | 0 | 0 | 0 | 118.1 | ||||
| 395 | G | 27.8 | Very low | 29.5 | Very low | 60 Ų | 60 | 149.7 Ų | 149.7 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | cis | -179.5 | 155.1 | -6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 396 | T | 28.8 | Very low | 29.4 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 58.7 | 109.7 | 150.2 | 60.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 397 | S | 26.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 68.8 | 148.3 | 121.5 | 78.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 398 | N | 29.2 | Very low | 29.9 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | cis | -136.1 | 167.7 | 14 | -85.4 | -69.4 | 0 | 0 | 0 | 112.6 | ||||
| 399 | K | 35.9 | Very low | 29.4 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | trans | -101.5 | 148.9 | 164.5 | -69.1 | -179.7 | 176.5 | -177 | 0 | 110.6 | ||||
| 400 | E | 28.5 | Very low | 30.4 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -136.9 | 101.9 | 149.5 | 54.5 | -165.2 | 146 | 0 | 0 | 109.5 | ||||
| 401 | D | 29.2 | Very low | 30.9 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -88.7 | 104 | 170.1 | -95.9 | -66.1 | 0 | 0 | 0 | 107.7 | ||||
| 402 | E | 29.3 | Very low | 31.5 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -99.9 | 133.3 | 170.7 | -164.6 | 167 | 116.5 | 0 | 0 | 112.8 | ||||
| 403 | F | 28.2 | Very low | 32 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -84 | 121.8 | -158.9 | -154.1 | -103.7 | 0 | 0 | 0 | 112.7 | M405 | F403-M405 HydrophobicContact CD1-CG 4.49Å; F403-M405 HydrophobicContact CE1-CG 4.07Å; F403-M405 HydrophobicContact CE1-SD 4.1Å; F403-M405 HydrophobicContact CZ-SD 4.41Å | ||
| 404 | R | 24.4 | Very low | 32.2 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -145.5 | 112.1 | 160 | -157.8 | 169.6 | -175.7 | 134.3 | 2.1 | 114.5 | ||||
| 405 | M | 30.8 | Very low | 33 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 70% | 0.7 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 139.6 | -177.3 | -66.1 | -80.2 | -77.4 | 0 | 0 | 114.7 | F403 | F403-M405 HydrophobicContact CD1-CG 4.49Å; F403-M405 HydrophobicContact CE1-CG 4.07Å; F403-M405 HydrophobicContact CE1-SD 4.1Å; F403-M405 HydrophobicContact CZ-SD 4.41Å |
| 406 | P | 29.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 128.1 | 149.7 | 28.9 | -20.2 | 0 | 0 | 0 | 110.8 | ||
| 407 | Y | 28.1 | Very low | 34.6 | Very low | 223 Ų | 223 | 154.6 Ų | 154.6 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151 | -171.5 | -146.8 | -109.9 | 0 | 0 | 0 | 114.9 | S409 | Y407-S409 PolarHBondContact O-N 2.89Š|
| 408 | L | 40.9 | Very low | 35.6 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 126.2 | 171.6 | -128.7 | 70.8 | 0 | 0 | 0 | 111.9 | ||
| 409 | S | 30.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -113 | 118.9 | 161.2 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | Y407 Q411 | Y407-S409 PolarHBondContact O-N 2.89Å; S409-Q411 PolarHBondContact O-N 3.29Å | ||
| 410 | H | 46.8 | Very low | 36.6 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -55.3 | 102.7 | 164 | -105.8 | 58.2 | 0 | 0 | 0 | 108.5 | Q412 | H410-Q412 PolarHBondContact O-N 2.94Š| ||
| 411 | Q | 37.7 | Very low | 37.5 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -80.4 | 106.8 | 160.3 | -80.8 | -156.1 | 91.3 | 0 | 0 | 108.2 | S409 | S409-Q411 PolarHBondContact O-N 3.29Š| ||
| 412 | Q | 42 | Very low | 38.7 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 143.8 | 171.3 | -65.3 | 172.6 | -71.1 | 0 | 0 | 110.2 | H410 | H410-Q412 PolarHBondContact O-N 2.94Š|
| 413 | L | 40.3 | Very low | 39.8 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 141.4 | 166.7 | -65.6 | 171.6 | 0 | 0 | 0 | 109.9 | A415 | L413-A415 PolarHBondContact O-N 3.2Š|
| 414 | P | 36.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.7 | 175.5 | -26.8 | 35 | 0 | 0 | 0 | 112.1 | G416 | P414-G416 PolarHBondContact O-N 3.03Š|
| 415 | A | 41.2 | Very low | 41.8 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 93% | 0.934 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 121.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L413 | L413-A415 PolarHBondContact O-N 3.2Š|
| 416 | G | 47.2 | Very low | 42.7 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.5 | -11.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P414 | P414-G416 PolarHBondContact O-N 3.03Š|
| 417 | I | 44.4 | Very low | 43.4 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | trans | -102.3 | 100.6 | 173.7 | -55.5 | 175.6 | 0 | 0 | 0 | 108.7 | ||||
| 418 | L | 46.8 | Very low | 44.2 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 82% | 0.817 | 72% | 0.72 | S | S | * | * | trans | -78.8 | 139.6 | 159 | -72.8 | 169.3 | 0 | 0 | 0 | 108.2 | M420 | L418-M420 PolarHBondContact O-N 3.19Å; L418-M420 VanDerWaalsContact O-N 3.09Å | ||
| 419 | P | 46.6 | Very low | 44.3 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -64.1 | 112.3 | 166.9 | 27.5 | -31.9 | 0 | 0 | 0 | 108.2 | ||||
| 420 | M | 38.9 | Very low | 44.4 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 64% | 0.64 | 72% | 0.722 | S | S | * | * | trans | -74.1 | 130.4 | 179.5 | -166.4 | 173.3 | 68.8 | 0 | 0 | 109.3 | L418 V424 A425 | L418-M420 PolarHBondContact O-N 3.19Å; L418-M420 VanDerWaalsContact O-N 3.09Å; M420-V424 HydrophobicContact CG-CB 4.45Å; M420-A425 HydrophobicContact CE-CB 3.79Å | ||
| 421 | V | 48.7 | Very low | 43.7 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 51% | 0.509 | 72% | 0.717 | S | S | . | * | trans | -64.1 | 132 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | E423 V424 | V421-E423 PolarHBondContact O-N 3.19Å; V421-E423 VanDerWaalsContact O-N 3.07Å; V421-V424 PolarHBondContact O-N 3.09Å; V421-V424 VanDerWaalsContact O-N 3.09Å | ||
| 422 | P | 54.3 | Low | 43.5 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -54 | -31.4 | -172.1 | -31 | 36.7 | 0 | 0 | 0 | 115.9 | V424 A425 | P422-V424 VanDerWaalsContact C-N 3.31Å; P422-V424 PolarHBondContact O-N 3.41Å; P422-A425 WeakPolarHBondContact O-CB 3.49Å; P422-A425 PolarHBondContact O-N 3.23Å |
| 423 | E | 51.8 | Low | 42.8 | Very low | 158 Ų | 158 | 114.2 Ų | 114.2 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -63.4 | -31.9 | 179.7 | -72 | 168 | 118 | 0 | 0 | 113.4 | V421 A425 Q426 | V421-E423 PolarHBondContact O-N 3.19Å; V421-E423 VanDerWaalsContact O-N 3.07Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.02Å; E423-Q426 PolarHBondContact O-N 3.28Å |
| 424 | V | 47.8 | Very low | 42.5 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 50% | 0.503 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -74.7 | -24.4 | -179.1 | -175 | 0 | 0 | 0 | 0 | 111.7 | M420 V421 P422 Q426 | M420-V424 HydrophobicContact CG-CB 4.45Å; V421-V424 PolarHBondContact O-N 3.09Å; V421-V424 VanDerWaalsContact O-N 3.09Å; P422-V424 VanDerWaalsContact C-N 3.31Å; P422-V424 PolarHBondContact O-N 3.41Å; V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 2.86Å |
| 425 | A | 47.3 | Very low | 42.3 | Very low | 55 Ų | 55 | 119.8 Ų | 119.8 | 46% | 0.455 | 73% | 0.728 | S | S | . | * | H | α-helix | trans | -66.8 | -33.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | M420 P422 E423 A427 | M420-A425 HydrophobicContact CE-CB 3.79Å; P422-A425 WeakPolarHBondContact O-CB 3.49Å; P422-A425 PolarHBondContact O-N 3.23Å; E423-A425 VanDerWaalsContact C-N 3.31Å; E423-A425 PolarHBondContact O-N 3.02Å; A425-A427 VanDerWaalsContact C-N 3.33Å; A425-A427 PolarHBondContact O-N 3.28Å |
| 426 | Q | 49.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -72.8 | -25.9 | -175.8 | -64.2 | -176.3 | -1.2 | 0 | 0 | 112.7 | E423 V424 V428 | E423-Q426 PolarHBondContact O-N 3.28Å; V424-Q426 VanDerWaalsContact C-N 3.33Å; V424-Q426 PolarHBondContact O-N 2.86Å; Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.03Å |
| 427 | A | 43.5 | Very low | 41.3 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -9.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | A425 | A425-A427 VanDerWaalsContact C-N 3.33Å; A425-A427 PolarHBondContact O-N 3.28Å |
| 428 | V | 44.1 | Very low | 40.6 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -6.9 | -168.3 | -166.5 | 0 | 0 | 0 | 0 | 113.6 | Q426 V430 | Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.03Å; V428-V430 VanDerWaalsContact C-N 3.29Å; V428-V430 HydrophobicContact CG1-CG2 4.46Å; V428-V430 PolarHBondContact O-N 2.91Å |
| 429 | G | 43.3 | Very low | 40.1 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 61.7 | 21.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | S431 | G429-S431 PolarHBondContact O-N 3.02Š| ||
| 430 | V | 33.6 | Very low | 39.6 | Very low | 138 Ų | 138 | 124.9 Ų | 124.9 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -90.9 | 89.1 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | V428 | V428-V430 VanDerWaalsContact C-N 3.29Å; V428-V430 HydrophobicContact CG1-CG2 4.46Å; V428-V430 PolarHBondContact O-N 2.91Å | ||
| 431 | S | 32.6 | Very low | 39.8 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | -102.2 | 124.1 | 167.1 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | G429 | G429-S431 PolarHBondContact O-N 3.02Š| ||
| 432 | Q | 32.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 73% | 0.728 | S | S | * | * | trans | 176.2 | 115.2 | 147.7 | -88.5 | -104.1 | -1.6 | 0 | 0 | 108.5 | ||||
| 433 | G | 27.3 | Very low | 39.3 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | trans | 148.3 | 88.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | H435 | G433-H435 PolarHBondContact O-N 2.85Š| ||
| 434 | H | 34.8 | Very low | 39.4 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | trans | -61.3 | 120 | -179.3 | -75 | 79.1 | 0 | 0 | 0 | 110.9 | ||||
| 435 | H | 31.9 | Very low | 40.2 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | trans | 177.1 | 56.8 | 141.2 | -86.3 | -50.6 | 0 | 0 | 0 | 111 | G433 | G433-H435 PolarHBondContact O-N 2.85Š| ||
| 436 | T | 30.2 | Very low | 41.3 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 83% | 0.828 | 73% | 0.73 | S | S | * | * | trans | -101 | 84.4 | 162.9 | 54 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 437 | K | 35.9 | Very low | 42.4 | Very low | 160 Ų | 160 | 122.5 Ų | 122.5 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | trans | -83.6 | 129.1 | 156 | -76.4 | -174.4 | 176.4 | -179.8 | 0 | 106.9 | F439 | K437-F439 PolarHBondContact O-N 2.94Å; K437-F439 VanDerWaalsContact O-N 3.14Å | ||
| 438 | D | 29.8 | Very low | 44 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | -62.6 | 112.8 | -169.2 | -54.7 | -85.6 | 0 | 0 | 0 | 112.2 | T440 | D438-T440 PolarHBondContact O-N 3.13Š| ||
| 439 | F | 37.8 | Very low | 45.7 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 62% | 0.623 | 69% | 0.69 | S | S | * | * | trans | -75.3 | 77.3 | 167.8 | -73.3 | -75.2 | 0 | 0 | 0 | 109.5 | K437 R441 | K437-F439 PolarHBondContact O-N 2.94Å; K437-F439 VanDerWaalsContact O-N 3.14Å; F439-R441 PolarHBondContact O-N 3.31Å | ||
| 440 | T | 34.8 | Very low | 47.7 | Very low | 126 Ų | 126 | 120 Ų | 120 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -57.6 | 105.4 | 171.4 | -54.5 | 0 | 0 | 0 | 0 | 108.9 | D438 A442 | D438-T440 PolarHBondContact O-N 3.13Å; T440-A442 VanDerWaalsContact C-N 3.31Å; T440-A442 PolarHBondContact O-N 3.32Å | ||
| 441 | R | 43.3 | Very low | 50.2 | Low | 232 Ų | 232 | 115.7 Ų | 115.7 | 88% | 0.875 | 65% | 0.646 | S | S | * | * | trans | -72.4 | 81.7 | -173.8 | -172 | -179.6 | -179.1 | 178.5 | -0.1 | 111.2 | F439 | F439-R441 PolarHBondContact O-N 3.31Š| ||
| 442 | A | 45.7 | Very low | 52.8 | Low | 72 Ų | 72 | 111.1 Ų | 111.1 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | trans | -61.4 | 142.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T440 | T440-A442 VanDerWaalsContact C-N 3.31Å; T440-A442 PolarHBondContact O-N 3.32Å | ||
| 443 | A | 46.6 | Very low | 55.4 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | trans | -63.5 | 144.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | N445 | A443-N445 PolarHBondContact O-N 3.07Š| ||
| 444 | P | 53.8 | Low | 58.3 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | trans | -59.8 | 114.1 | 176.7 | 0.1 | 1.6 | 0 | 0 | 0 | 111 | P446 Q526 | P444-P446 WeakPolarHBondContact O-CD 3.47Å; P444-Q526 HydrophobicContact CB-CG 3.75Å; P444-Q526 HydrophobicContact CG-CG 4.32Å | ||
| 445 | N | 65.3 | Low | 60.9 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | trans | -88.7 | 111.1 | 167.7 | -175.6 | -20.3 | 0 | 0 | 0 | 108.3 | A443 A447 K448 A449 | A443-N445 PolarHBondContact O-N 3.07Å; N445-A447 VanDerWaalsContact C-N 3.26Å; N445-A447 PolarHBondContact O-N 3.41Å; N445-A447 WeakPolarHBondContact OD1-CB 3.35Å; N445-A447 PolarHBondContact OD1-N 3.16Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; N445-K448 HydrophobicContact CB-CB 4.32Å; N445-K448 HydrophobicContact CB-CG 4.37Å; N445-K448 WeakPolarHBondContact O-CB 3.36Å; N445-K448 PolarHBondContact O-N 2.85Å; N445-A449 PolarHBondContact O-N 2.93Å | ||
| 446 | P | 70.4 | Confident | 63.6 | Low | 98 Ų | 98 | 85.2 Ų | 85.2 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.4 | -33.6 | -175 | 24.3 | -33.7 | 0 | 0 | 0 | 112.6 | P444 K448 A449 T450 | P444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-K448 VanDerWaalsContact C-N 3.26Å; P446-K448 PolarHBondContact O-N 2.92Å; P446-A449 WeakPolarHBondContact O-CB 3.4Å; P446-A449 PolarHBondContact O-N 3.26Å; P446-T450 PolarHBondContact O-N 2.92Å; P446-T450 VanDerWaalsContact O-N 3.09Å; P446-T450 PolarHBondContact O-OG1 3.4Å |
| 447 | A | 72.4 | Confident | 66.4 | Low | 63 Ų | 63 | 82.1 Ų | 82.1 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N445 V451 | N445-A447 VanDerWaalsContact C-N 3.26Å; N445-A447 PolarHBondContact O-N 3.41Å; N445-A447 WeakPolarHBondContact OD1-CB 3.35Å; N445-A447 PolarHBondContact OD1-N 3.16Å; N445-A447 VanDerWaalsContact OD1-N 3.16Å; A447-V451 WeakPolarHBondContact O-CG2 3.3Å; A447-V451 PolarHBondContact O-N 2.58Å |
| 448 | K | 77.6 | Confident | 69 | Low | 126 Ų | 126 | 76.8 Ų | 76.8 | 55% | 0.548 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 174 | -82 | -161 | 172.7 | -162 | 0 | 111.9 | N445 P446 T452 Q500 | N445-K448 HydrophobicContact CB-CB 4.32Å; N445-K448 HydrophobicContact CB-CG 4.37Å; N445-K448 WeakPolarHBondContact O-CB 3.36Å; N445-K448 PolarHBondContact O-N 2.85Å; P446-K448 VanDerWaalsContact C-N 3.26Å; P446-K448 PolarHBondContact O-N 2.92Å; K448-T452 PolarHBondContact O-N 2.81Å; K448-T452 PolarHBondContact O-OG1 2.81Å; K448-Q500 PolarHBondContact O-NE2 3.07Å |
| 449 | A | 79.8 | Confident | 71.7 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 24% | 0.24 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N445 P446 V451 T452 A453 | N445-A449 PolarHBondContact O-N 2.93Å; P446-A449 WeakPolarHBondContact O-CB 3.4Å; P446-A449 PolarHBondContact O-N 3.26Å; A449-V451 PolarHBondContact O-N 3.46Å; A449-T452 WeakPolarHBondContact O-CB 3.25Å; A449-T452 PolarHBondContact O-N 2.81Å; A449-A453 PolarHBondContact O-N 2.93Å |
| 450 | T | 84.6 | Confident | 74.1 | Confident | 53 Ų | 53 | 65.5 Ų | 65.5 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | P446 T452 A453 M454 | P446-T450 PolarHBondContact O-N 2.92Å; P446-T450 VanDerWaalsContact O-N 3.09Å; P446-T450 PolarHBondContact O-OG1 3.4Å; T450-T452 VanDerWaalsContact C-N 3.33Å; T450-T452 PolarHBondContact O-N 3.27Å; T450-A453 PolarHBondContact O-N 2.79Å; T450-M454 WeakPolarHBondContact O-CG 3.49Å; T450-M454 PolarHBondContact O-N 3.18Å |
| 451 | V | 86.5 | Confident | 76.4 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | A447 A449 A453 M454 I455 I471 | A447-V451 WeakPolarHBondContact O-CG2 3.3Å; A447-V451 PolarHBondContact O-N 2.58Å; A449-V451 PolarHBondContact O-N 3.46Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.06Å; V451-M454 PolarHBondContact O-N 3.43Å; V451-I455 HydrophobicContact CG1-CD1 3.79Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.5Å; V451-I455 PolarHBondContact O-N 2.84Å; V451-I455 VanDerWaalsContact O-N 3.07Å; V451-I471 HydrophobicContact CG1-CD1 3.62Å |
| 452 | T | 87.4 | Confident | 78.1 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.4 | -48.1 | 0 | 0 | 0 | 0 | 111.4 | K448 A449 T450 I455 A456 L496 Q500 F502 L553 | K448-T452 PolarHBondContact O-N 2.81Å; K448-T452 PolarHBondContact O-OG1 2.81Å; A449-T452 WeakPolarHBondContact O-CB 3.25Å; A449-T452 PolarHBondContact O-N 2.81Å; T450-T452 VanDerWaalsContact C-N 3.33Å; T450-T452 PolarHBondContact O-N 3.27Å; T452-I455 PolarHBondContact O-N 3.11Å; T452-A456 WeakPolarHBondContact O-CB 3.41Å; T452-A456 PolarHBondContact O-N 2.84Å; T452-L496 HydrophobicContact CG2-CD1 4.15Å; T452-L496 HydrophobicContact CG2-CD2 4.3Å; T452-L496 HydrophobicContact CG2-CG 4.48Å; T452-Q500 HydrophobicContact CG2-CG 4.27Å; T452-Q500 WeakPolarHBondContact OG1-CG 3.35Å; T452-Q500 PolarHBondContact OG1-NE2 3.33Å; T452-F502 HydrophobicContact CG2-CE1 4.19Å; T452-L553 HydrophobicContact CG2-CD2 4.04Å |
| 453 | A | 88.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A449 T450 V451 A456 R457 L553 D557 | A449-A453 PolarHBondContact O-N 2.93Å; T450-A453 PolarHBondContact O-N 2.79Å; V451-A453 VanDerWaalsContact C-N 3.33Å; V451-A453 PolarHBondContact O-N 3.06Å; A453-A456 PolarHBondContact O-N 3.48Å; A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.22Å; A453-L553 VanDerWaalsContact CA-O 3.3Å; A453-L553 WeakPolarHBondContact CA-O 3.22Å; A453-L553 WeakPolarHBondContact CB-O 3.46Å; A453-D557 HydrophobicContact CB-CB 3.73Å |
| 454 | M | 87.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -50 | 174.2 | -72 | -179.9 | 65 | 0 | 0 | 111.7 | T450 V451 A456 R457 E458 | T450-M454 WeakPolarHBondContact O-CG 3.49Å; T450-M454 PolarHBondContact O-N 3.18Å; V451-M454 PolarHBondContact O-N 3.43Å; M454-A456 VanDerWaalsContact C-N 3.33Å; M454-A456 PolarHBondContact O-N 3.03Å; M454-R457 WeakPolarHBondContact O-CB 3.19Å; M454-R457 PolarHBondContact O-N 2.98Å; M454-E458 WeakPolarHBondContact O-CG 3.37Å; M454-E458 PolarHBondContact O-N 3.27Å |
| 455 | I | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -42 | 178.3 | -61.8 | 160 | 0 | 0 | 0 | 110.8 | V451 T452 R457 E458 L459 S465 T467 A468 I471 L496 V499 | V451-I455 HydrophobicContact CG1-CD1 3.79Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.3Å; V451-I455 WeakPolarHBondContact O-CG1 3.5Å; V451-I455 PolarHBondContact O-N 2.84Å; V451-I455 VanDerWaalsContact O-N 3.07Å; T452-I455 PolarHBondContact O-N 3.11Å; I455-R457 VanDerWaalsContact C-N 3.31Å; I455-R457 PolarHBondContact O-N 2.76Å; I455-E458 PolarHBondContact O-N 3.13Å; I455-L459 HydrophobicContact CG2-CD1 3.85Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CG 3.43Å; I455-L459 PolarHBondContact O-N 3.21Å; I455-S465 WeakPolarHBondContact CG2-OG 3.45Å; I455-T467 HydrophobicContact CD1-CG2 4.31Å; I455-T467 HydrophobicContact CG1-CG2 3.76Å; I455-A468 HydrophobicContact CD1-CB 4.45Å; I455-A468 HydrophobicContact CG1-CB 4.37Å; I455-A468 HydrophobicContact CG2-CB 3.79Å; I455-I471 HydrophobicContact CD1-CD1 3.8Å; I455-L496 HydrophobicContact CB-CD1 3.81Å; I455-L496 HydrophobicContact CD1-CD1 4.34Å; I455-L496 HydrophobicContact CG2-CD1 3.49Å; I455-L496 VanDerWaalsContact CG2-CD1 3.49Å; I455-V499 HydrophobicContact CD1-CG1 3.97Å |
| 456 | A | 89.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T452 A453 M454 L460 L496 L550 L553 | T452-A456 WeakPolarHBondContact O-CB 3.41Å; T452-A456 PolarHBondContact O-N 2.84Å; A453-A456 PolarHBondContact O-N 3.48Å; M454-A456 VanDerWaalsContact C-N 3.33Å; M454-A456 PolarHBondContact O-N 3.03Å; A456-L460 WeakPolarHBondContact O-CB 3.4Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.48Å; A456-L496 HydrophobicContact CB-CD2 3.98Å; A456-L550 HydrophobicContact CB-CD2 4.49Å; A456-L553 HydrophobicContact CB-CB 3.89Å |
| 457 | R | 88.8 | Confident | 84 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 26% | 0.26 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 172.6 | -70.2 | 173.5 | -174.8 | 163.3 | 4.5 | 111.4 | A453 M454 I455 L459 L460 Y461 S554 D557 | A453-R457 WeakPolarHBondContact O-CG 3.23Å; A453-R457 PolarHBondContact O-N 3.22Å; M454-R457 WeakPolarHBondContact O-CB 3.19Å; M454-R457 PolarHBondContact O-N 2.98Å; I455-R457 VanDerWaalsContact C-N 3.31Å; I455-R457 PolarHBondContact O-N 2.76Å; R457-L459 VanDerWaalsContact C-N 3.35Å; R457-L459 PolarHBondContact O-N 3.42Å; R457-L460 PolarHBondContact O-N 3Å; R457-Y461 HydrophobicContact CB-CD2 4.48Å; R457-Y461 VanDerWaalsContact O-CD2 3.28Å; R457-Y461 WeakPolarHBondContact O-CD2 3.5Å; R457-Y461 PolarHBondContact O-N 3.26Å; R457-S554 VanDerWaalsContact CZ-O 3.27Å; R457-S554 PolarHBondContact NE-O 3.27Å; R457-S554 PolarHBondContact NH2-O 3.15Å; R457-D557 IonicContact CZ-OD2 3.64Å; R457-D557 VanDerWaalsContact CZ-OD2 3.24Å; R457-D557 IonicContact NH1-OD2 2.63Å; R457-D557 PolarHBondContact NH1-OD2 3.33Å; R457-D557 IonicContact NH2-OD2 2.86Å; R457-D557 PolarHBondContact NH2-OD2 2.96Å |
| 458 | E | 89.3 | Confident | 84.5 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 179 | -71.5 | 173.3 | -165.6 | 0 | 0 | 111.7 | M454 I455 G462 T464 S465 P466 T467 | M454-E458 WeakPolarHBondContact O-CG 3.37Å; M454-E458 PolarHBondContact O-N 3.27Å; I455-E458 PolarHBondContact O-N 3.13Å; E458-G462 WeakPolarHBondContact O-CA 3.26Å; E458-G462 PolarHBondContact O-N 2.91Å; E458-T464 CarbonylContact C-O 3.12Å; E458-S465 VanDerWaalsContact OE2-CA 3.26Å; E458-S465 WeakPolarHBondContact OE2-CA 3.48Å; E458-S465 VanDerWaalsContact OE2-CB 3.24Å; E458-S465 WeakPolarHBondContact OE2-CB 3.46Å; E458-S465 PolarHBondContact OE2-OG 3.4Å; E458-P466 VanDerWaalsContact OE2-CD 3.29Å; E458-P466 WeakPolarHBondContact OE2-CD 3.4Å; E458-T467 WeakPolarHBondContact OE1-CB 3.38Å; E458-T467 PolarHBondContact OE1-OG1 2.89Å; E458-T467 VanDerWaalsContact OE2-CB 3.31Å; E458-T467 WeakPolarHBondContact OE2-CB 3.16Å; E458-T467 PolarHBondContact OE2-N 3.1Å; E458-T467 PolarHBondContact OE2-OG1 2.6Å |
| 459 | L | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.9 | -67.3 | 171.6 | 0 | 0 | 0 | 112.8 | I455 R457 G463 L486 Q492 Y495 L496 | I455-L459 HydrophobicContact CG2-CD1 3.85Å; I455-L459 HydrophobicContact CG2-CG 4.24Å; I455-L459 WeakPolarHBondContact O-CG 3.43Å; I455-L459 PolarHBondContact O-N 3.21Å; R457-L459 VanDerWaalsContact C-N 3.35Å; R457-L459 PolarHBondContact O-N 3.42Å; L459-G463 WeakPolarHBondContact O-CA 3.47Å; L459-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-N 3.09Å; L459-L486 HydrophobicContact CD2-CD1 3.94Å; L459-Q492 HydrophobicContact CB-CB 4.36Å; L459-Q492 HydrophobicContact CB-CG 4.36Å; L459-Q492 HydrophobicContact CD1-CB 4.5Å; L459-Q492 PolarHBondContact O-NE2 3.3Å; L459-Q492 VanDerWaalsContact O-NE2 3.15Å; L459-Y495 HydrophobicContact CD1-CD1 4.16Å; L459-Y495 HydrophobicContact CD2-CD1 4Å; L459-Y495 HydrophobicContact CD2-CE1 4.27Å; L459-L496 HydrophobicContact CD1-CB 4Å |
| 460 | L | 86.8 | Confident | 84.7 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -35.8 | 179.4 | -79 | 173.3 | 0 | 0 | 0 | 113.8 | A456 R457 L550 K551 | A456-L460 WeakPolarHBondContact O-CB 3.4Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.37Å; A456-L460 PolarHBondContact O-N 3.48Å; R457-L460 PolarHBondContact O-N 3Å; L460-L550 HydrophobicContact CD1-CB 4.14Å; L460-L550 HydrophobicContact CD2-CB 3.87Å; L460-L550 HydrophobicContact CD2-CD1 4.32Å; L460-L550 HydrophobicContact CG-CB 4.04Å; L460-K551 HydrophobicContact CD1-CG 4.19Å |
| 461 | Y | 84.6 | Confident | 84.5 | Confident | 209 Ų | 209 | 45.3 Ų | 45.3 | 82% | 0.82 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -99 | -32.3 | -175.1 | -72.4 | -70.6 | 0 | 0 | 0 | 114.2 | R457 | R457-Y461 HydrophobicContact CB-CD2 4.48Å; R457-Y461 VanDerWaalsContact O-CD2 3.28Å; R457-Y461 WeakPolarHBondContact O-CD2 3.5Å; R457-Y461 PolarHBondContact O-N 3.26Å |
| 462 | G | 79.1 | Confident | 83.9 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -112.8 | -12.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E458 T464 | E458-G462 WeakPolarHBondContact O-CA 3.26Å; E458-G462 PolarHBondContact O-N 2.91Å; G462-T464 PolarHBondContact O-N 3.12Å |
| 463 | G | 77.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 68.5 | -5.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L459 L486 | L459-G463 WeakPolarHBondContact O-CA 3.47Å; L459-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-N 3.09Å; G463-L486 WeakPolarHBondContact O-CB 3.35Å; G463-L486 PolarHBondContact O-N 2.85Å |
| 464 | T | 80.8 | Confident | 82 | Confident | 64 Ų | 64 | 58 Ų | 58 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | trans | -135.2 | 156.1 | 173.7 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | E458 G462 P485 | E458-T464 CarbonylContact C-O 3.12Å; G462-T464 PolarHBondContact O-N 3.12Å; T464-P485 HydrophobicContact CG2-CB 4.25Å | ||
| 465 | S | 83.3 | Confident | 80.8 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | trans | -132.7 | 105.3 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | I455 E458 T467 A468 E469 | I455-S465 WeakPolarHBondContact CG2-OG 3.45Å; E458-S465 VanDerWaalsContact OE2-CA 3.26Å; E458-S465 WeakPolarHBondContact OE2-CA 3.48Å; E458-S465 VanDerWaalsContact OE2-CB 3.24Å; E458-S465 WeakPolarHBondContact OE2-CB 3.46Å; E458-S465 PolarHBondContact OE2-OG 3.4Å; S465-T467 PolarHBondContact O-N 2.85Å; S465-A468 PolarHBondContact O-N 3.07Å; S465-A468 WeakPolarHBondContact OG-CB 3.37Å; S465-A468 PolarHBondContact OG-N 3.25Å; S465-E469 PolarHBondContact O-N 3.23Å; S465-E469 VanDerWaalsContact O-N 3.1Å | ||
| 466 | P | 80.6 | Confident | 79.3 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -31.7 | 172.6 | 25.7 | -34.7 | 0 | 0 | 0 | 111.5 | E458 E469 T470 | E458-P466 VanDerWaalsContact OE2-CD 3.29Å; E458-P466 WeakPolarHBondContact OE2-CD 3.4Å; P466-E469 PolarHBondContact O-N 2.98Å; P466-T470 PolarHBondContact O-N 2.87Å; P466-T470 VanDerWaalsContact O-N 3.14Å |
| 467 | T | 83 | Confident | 77.2 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | I455 E458 S465 E469 T470 I471 | I455-T467 HydrophobicContact CD1-CG2 4.31Å; I455-T467 HydrophobicContact CG1-CG2 3.76Å; E458-T467 WeakPolarHBondContact OE1-CB 3.38Å; E458-T467 PolarHBondContact OE1-OG1 2.89Å; E458-T467 VanDerWaalsContact OE2-CB 3.31Å; E458-T467 WeakPolarHBondContact OE2-CB 3.16Å; E458-T467 PolarHBondContact OE2-N 3.1Å; E458-T467 PolarHBondContact OE2-OG1 2.6Å; S465-T467 PolarHBondContact O-N 2.85Å; T467-E469 PolarHBondContact O-N 3.23Å; T467-T470 PolarHBondContact O-N 2.99Å; T467-T470 PolarHBondContact O-OG1 3.04Å; T467-I471 HydrophobicContact CG2-CD1 4.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.37Å |
| 468 | A | 82.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I455 S465 T470 I471 L472 Y495 V499 | I455-A468 HydrophobicContact CD1-CB 4.45Å; I455-A468 HydrophobicContact CG1-CB 4.37Å; I455-A468 HydrophobicContact CG2-CB 3.79Å; S465-A468 PolarHBondContact O-N 3.07Å; S465-A468 WeakPolarHBondContact OG-CB 3.37Å; S465-A468 PolarHBondContact OG-N 3.25Å; A468-T470 VanDerWaalsContact C-N 3.33Å; A468-T470 PolarHBondContact O-N 3.06Å; A468-I471 PolarHBondContact O-N 2.96Å; A468-L472 PolarHBondContact O-N 3.47Å; A468-Y495 HydrophobicContact CB-CE1 3.56Å; A468-V499 HydrophobicContact CB-CG1 4.02Å; A468-V499 HydrophobicContact CB-CG2 3.8Å |
| 469 | E | 82 | Confident | 72.9 | Confident | 72 Ų | 72 | 75 Ų | 75 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 178.3 | -80.2 | -168.7 | -150.3 | 0 | 0 | 112.5 | S465 P466 T467 I471 L472 K473 | S465-E469 PolarHBondContact O-N 3.23Å; S465-E469 VanDerWaalsContact O-N 3.1Å; P466-E469 PolarHBondContact O-N 2.98Å; T467-E469 PolarHBondContact O-N 3.23Å; E469-I471 VanDerWaalsContact C-N 3.33Å; E469-I471 PolarHBondContact O-N 3.11Å; E469-L472 PolarHBondContact O-N 2.84Å; E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 WeakPolarHBondContact O-CD 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.3Å; E469-K473 PolarHBondContact O-N 3.22Å; E469-K473 IonicContact OE2-NZ 2.66Å; E469-K473 PolarHBondContact OE2-NZ 3.42Å |
| 470 | T | 78.9 | Confident | 70.9 | Confident | 78 Ų | 78 | 82.7 Ų | 82.7 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | P466 T467 A468 N474 | P466-T470 PolarHBondContact O-N 2.87Å; P466-T470 VanDerWaalsContact O-N 3.14Å; T467-T470 PolarHBondContact O-N 2.99Å; T467-T470 PolarHBondContact O-OG1 3.04Å; A468-T470 VanDerWaalsContact C-N 3.33Å; A468-T470 PolarHBondContact O-N 3.06Å; T470-N474 PolarHBondContact O-N 3.29Å; T470-N474 PolarHBondContact O-ND2 2.96Å |
| 471 | I | 81.4 | Confident | 69.2 | Low | 41 Ų | 41 | 84.3 Ų | 84.3 | 21% | 0.21 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 177.7 | -65.6 | 164.7 | 0 | 0 | 0 | 111.2 | V451 I455 T467 A468 E469 N474 N475 V499 | V451-I471 HydrophobicContact CG1-CD1 3.62Å; I455-I471 HydrophobicContact CD1-CD1 3.8Å; T467-I471 HydrophobicContact CG2-CD1 4.25Å; T467-I471 WeakPolarHBondContact O-CG1 3.3Å; T467-I471 PolarHBondContact O-N 3.37Å; A468-I471 PolarHBondContact O-N 2.96Å; E469-I471 VanDerWaalsContact C-N 3.33Å; E469-I471 PolarHBondContact O-N 3.11Å; I471-N474 PolarHBondContact O-N 3.5Å; I471-N475 PolarHBondContact O-N 3.22Å; I471-N475 PolarHBondContact O-ND2 3Å; I471-V499 HydrophobicContact CB-CG1 4.07Å; I471-V499 HydrophobicContact CD1-CG1 4.29Å; I471-V499 HydrophobicContact CG2-CG1 3.87Å |
| 472 | L | 74.4 | Confident | 67.7 | Low | 55 Ų | 55 | 76.6 Ų | 76.6 | 29% | 0.288 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.1 | -40.7 | 175.3 | -71.4 | 175.7 | 0 | 0 | 0 | 112.4 | A468 E469 N474 N475 Y495 V499 | A468-L472 PolarHBondContact O-N 3.47Å; E469-L472 PolarHBondContact O-N 2.84Å; L472-N474 PolarHBondContact O-N 3.5Å; L472-N475 CarbonylContact O-C 3.51Å; L472-N475 PolarHBondContact O-N 2.89Å; L472-Y495 HydrophobicContact CD1-CD2 4.45Å; L472-Y495 HydrophobicContact CD1-CE2 3.47Å; L472-Y495 VanDerWaalsContact CD1-CE2 3.47Å; L472-V499 HydrophobicContact CD1-CG2 3.75Å; L472-V499 HydrophobicContact CD2-CG2 4.1Å; L472-V499 HydrophobicContact CG-CG2 3.84Å |
| 473 | K | 69.2 | Low | 66.1 | Low | 134 Ų | 134 | 83.6 Ų | 83.6 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.8 | -28.8 | 176.3 | -73 | 162.8 | -167.1 | 170.5 | 0 | 112.5 | E469 | E469-K473 WeakPolarHBondContact O-CB 3.35Å; E469-K473 WeakPolarHBondContact O-CD 3.28Å; E469-K473 WeakPolarHBondContact O-CG 3.3Å; E469-K473 PolarHBondContact O-N 3.22Å; E469-K473 IonicContact OE2-NZ 2.66Å; E469-K473 PolarHBondContact OE2-NZ 3.42Å |
| 474 | N | 65.8 | Low | 65.2 | Low | 134 Ų | 134 | 85 Ų | 85 | 72% | 0.717 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -83.1 | -18.3 | 175.3 | -69.7 | -17.9 | 0 | 0 | 0 | 114.3 | T470 I471 L472 | T470-N474 PolarHBondContact O-N 3.29Å; T470-N474 PolarHBondContact O-ND2 2.96Å; I471-N474 PolarHBondContact O-N 3.5Å; L472-N474 PolarHBondContact O-N 3.5Å |
| 475 | N | 62.4 | Low | 64.3 | Low | 112 Ų | 112 | 86 Ų | 86 | 60% | 0.599 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -105.5 | 81.4 | 178.3 | -76.1 | -82.3 | 0 | 0 | 0 | 110.4 | I471 L472 S477 | I471-N475 PolarHBondContact O-N 3.22Å; I471-N475 PolarHBondContact O-ND2 3Å; L472-N475 CarbonylContact O-C 3.51Å; L472-N475 PolarHBondContact O-N 2.89Å; N475-S477 PolarHBondContact O-N 2.99Å |
| 476 | I | 57.4 | Low | 63.8 | Low | 158 Ų | 158 | 86.8 Ų | 86.8 | 81% | 0.81 | 50% | 0.501 | S | S | * | . | trans | -71.3 | 88.8 | -175.8 | -53.8 | 173.7 | 0 | 0 | 0 | 110.9 | ||||
| 477 | S | 45 | Very low | 63.4 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 72% | 0.72 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -165.6 | 112.2 | 154.1 | -82.4 | 0 | 0 | 0 | 0 | 112.7 | N475 | N475-S477 PolarHBondContact O-N 2.99Š|
| 478 | S | 47.1 | Very low | 63.6 | Low | 126 Ų | 126 | 90.4 Ų | 90.4 | 88% | 0.881 | 51% | 0.514 | S | S | * | . | trans | 45.3 | 99 | 152.5 | 58.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 479 | G | 40.5 | Very low | 64 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | trans | -178.7 | 125.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V481 | G479-V481 PolarHBondContact O-N 2.9Š| ||
| 480 | H | 46.1 | Very low | 64.4 | Low | 160 Ų | 160 | 89.1 Ų | 89.1 | 74% | 0.741 | 51% | 0.512 | S | S | * | . | trans | -50.2 | 110.2 | 177.8 | 175.5 | -68.2 | 0 | 0 | 0 | 111.8 | P482 | H480-P482 WeakPolarHBondContact O-CD 3.28Š| ||
| 481 | V | 52.5 | Low | 64.9 | Low | 84 Ų | 84 | 89.3 Ų | 89.3 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -70.4 | 119.6 | 169.8 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | G479 H483 | G479-V481 PolarHBondContact O-N 2.9Å; V481-H483 PolarHBondContact O-N 3.27Å; V481-H483 VanDerWaalsContact O-N 3.1Å | ||
| 482 | P | 52.2 | Low | 65.3 | Low | 47 Ų | 47 | 88.1 Ų | 88.1 | 31% | 0.305 | 50% | 0.501 | S | S | . | . | trans | -66.9 | 111.8 | 175.1 | 26.9 | -31.2 | 0 | 0 | 0 | 109.2 | H480 G484 L486 | H480-P482 WeakPolarHBondContact O-CD 3.28Å; P482-G484 VanDerWaalsContact C-N 3.29Å; P482-G484 PolarHBondContact O-N 3.1Å; P482-L486 HydrophobicContact CB-CD2 4.41Å; P482-L486 HydrophobicContact CG-CD2 4.03Å; P482-L486 HydrophobicContact CG-CG 4.37Å | ||
| 483 | H | 45.8 | Very low | 66.1 | Low | 198 Ų | 198 | 85.5 Ų | 85.5 | 92% | 0.917 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -75.8 | 83.5 | 170.3 | -95.1 | -26.2 | 0 | 0 | 0 | 110 | V481 | V481-H483 PolarHBondContact O-N 3.27Å; V481-H483 VanDerWaalsContact O-N 3.1Å |
| 484 | G | 58.4 | Low | 67.1 | Low | 38 Ų | 38 | 82.1 Ų | 82.1 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 163.4 | 163.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | P482 L486 | P482-G484 VanDerWaalsContact C-N 3.29Å; P482-G484 PolarHBondContact O-N 3.1Å; G484-L486 PolarHBondContact O-N 3.4Å |
| 485 | P | 61.5 | Low | 68.2 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | trans | -62.2 | 128.4 | 168 | 27.8 | -33.1 | 0 | 0 | 0 | 109.7 | T464 T487 | T464-P485 HydrophobicContact CG2-CB 4.25Å; P485-T487 PolarHBondContact O-N 3.21Å; P485-T487 VanDerWaalsContact O-N 3.1Å | ||
| 486 | L | 73 | Confident | 69.4 | Low | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.089 | 42% | 0.417 | C | S | . | . | trans | -68.8 | 104.9 | 173.6 | -71.8 | 155.3 | 0 | 0 | 0 | 108 | L459 G463 P482 G484 E491 Q492 Y495 | L459-L486 HydrophobicContact CD2-CD1 3.94Å; G463-L486 WeakPolarHBondContact O-CB 3.35Å; G463-L486 PolarHBondContact O-N 2.85Å; P482-L486 HydrophobicContact CB-CD2 4.41Å; P482-L486 HydrophobicContact CG-CD2 4.03Å; P482-L486 HydrophobicContact CG-CG 4.37Å; G484-L486 PolarHBondContact O-N 3.4Å; L486-E491 HydrophobicContact CD2-CB 3.86Å; L486-Q492 HydrophobicContact CB-CG 3.62Å; L486-Q492 PolarHBondContact O-NE2 3.3Å; L486-Y495 HydrophobicContact CD1-CD1 3.73Å; L486-Y495 HydrophobicContact CD1-CE1 4.38Å; L486-Y495 HydrophobicContact CD1-CG 3.81Å | ||
| 487 | T | 73.3 | Confident | 70.9 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 71% | 0.712 | 38% | 0.381 | S | S | * | . | trans | -85.4 | -19.5 | -174.4 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | P485 | P485-T487 PolarHBondContact O-N 3.21Å; P485-T487 VanDerWaalsContact O-N 3.1Å | ||
| 488 | R | 87 | Confident | 73 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -103.2 | 131.9 | -178.3 | -58.2 | -167.2 | 72.8 | 165.5 | 8.4 | 112.5 | S490 E491 Q492 E539 D543 | R488-S490 VanDerWaalsContact C-N 3.28Å; R488-S490 PolarHBondContact O-N 2.91Å; R488-E491 HydrophobicContact CB-CB 4.24Å; R488-E491 HydrophobicContact CB-CG 3.91Å; R488-E491 WeakPolarHBondContact CD-OE1 3.27Å; R488-E491 PolarHBondContact O-N 2.99Å; R488-Q492 WeakPolarHBondContact O-CG 3.48Å; R488-Q492 PolarHBondContact O-N 3.46Å; R488-E539 IonicContact CZ-OE2 2.66Å; R488-E539 IonicContact NH1-OE2 2.74Å; R488-E539 PolarHBondContact NH1-OE2 3.31Å; R488-E539 IonicContact NH2-OE2 2.66Å; R488-D543 IonicContact CZ-OD2 2.8Å; R488-D543 IonicContact NE-OD1 3.45Å; R488-D543 IonicContact NE-OD2 3.97Å; R488-D543 PolarHBondContact NE-OD2 2.92Å; R488-D543 IonicContact NH2-OD2 3.6Å; R488-D543 PolarHBondContact NH2-OD2 3.29Å |
| 489 | P | 90.4 | Very high | 74.8 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 16% | 0.156 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -30.4 | 177.5 | -24.5 | 33.9 | 0 | 0 | 0 | 114.6 | L493 D543 A546 L547 L550 | P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 2.87Å; P489-D543 WeakPolarHBondContact CB-O 3.4Å; P489-D543 HydrophobicContact CG-CB 4.47Å; P489-A546 HydrophobicContact CB-CB 4.4Å; P489-A546 WeakPolarHBondContact O-CB 3.45Å; P489-L547 HydrophobicContact CB-CB 3.74Å; P489-L547 HydrophobicContact CB-CD1 4.4Å; P489-L547 HydrophobicContact CG-CB 4.06Å; P489-L547 HydrophobicContact CG-CD1 3.86Å; P489-L550 HydrophobicContact CB-CD1 4.32Å; P489-L550 WeakPolarHBondContact O-CD1 3.34Å |
| 490 | S | 90 | Very high | 76.9 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 174.1 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | R488 L493 D494 D543 | R488-S490 VanDerWaalsContact C-N 3.28Å; R488-S490 PolarHBondContact O-N 2.91Å; S490-L493 PolarHBondContact O-N 3.11Å; S490-D494 PolarHBondContact O-N 3.06Å; S490-D543 VanDerWaalsContact CB-OD1 3.22Å; S490-D543 WeakPolarHBondContact CB-OD1 3.24Å; S490-D543 PolarHBondContact N-OD1 2.78Å; S490-D543 VanDerWaalsContact N-OD1 3.12Å; S490-D543 PolarHBondContact OG-OD1 3.03Å |
| 491 | E | 90.2 | Very high | 78.6 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 176.1 | -62.4 | 171.6 | -177.7 | 0 | 0 | 112.1 | L486 R488 L493 D494 Y495 | L486-E491 HydrophobicContact CD2-CB 3.86Å; R488-E491 HydrophobicContact CB-CB 4.24Å; R488-E491 HydrophobicContact CB-CG 3.91Å; R488-E491 WeakPolarHBondContact CD-OE1 3.27Å; R488-E491 PolarHBondContact O-N 2.99Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; E491-D494 PolarHBondContact O-N 3.45Å; E491-Y495 WeakPolarHBondContact O-CB 3.34Å; E491-Y495 PolarHBondContact O-N 3.07Å |
| 492 | Q | 89.9 | Confident | 80.3 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.1 | -71.5 | 176.1 | -2.1 | 0 | 0 | 111.9 | L459 L486 R488 L496 L550 | L459-Q492 HydrophobicContact CB-CB 4.36Å; L459-Q492 HydrophobicContact CB-CG 4.36Å; L459-Q492 HydrophobicContact CD1-CB 4.5Å; L459-Q492 PolarHBondContact O-NE2 3.3Å; L459-Q492 VanDerWaalsContact O-NE2 3.15Å; L486-Q492 HydrophobicContact CB-CG 3.62Å; L486-Q492 PolarHBondContact O-NE2 3.3Å; R488-Q492 WeakPolarHBondContact O-CG 3.48Å; R488-Q492 PolarHBondContact O-N 3.46Å; Q492-L496 WeakPolarHBondContact O-CB 3.22Å; Q492-L496 PolarHBondContact O-N 3.01Å; Q492-L550 HydrophobicContact CB-CD1 3.75Å |
| 493 | L | 90.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 178.6 | -178.3 | 59.6 | 0 | 0 | 0 | 112.3 | P489 S490 E491 L496 S497 F502 V504 I521 A546 I549 L550 L553 | P489-L493 WeakPolarHBondContact O-CB 3.45Å; P489-L493 PolarHBondContact O-N 2.87Å; S490-L493 PolarHBondContact O-N 3.11Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-L493 PolarHBondContact O-N 3.4Å; L493-L496 PolarHBondContact O-N 3.27Å; L493-S497 WeakPolarHBondContact O-CB 3.31Å; L493-S497 PolarHBondContact O-N 3.44Å; L493-F502 HydrophobicContact CD1-CE2 4.15Å; L493-F502 HydrophobicContact CD1-CZ 4.19Å; L493-V504 HydrophobicContact CD2-CG1 4.18Å; L493-V504 HydrophobicContact CG-CG2 4.23Å; L493-I521 HydrophobicContact CD2-CD1 3.43Å; L493-I521 VanDerWaalsContact CD2-CD1 3.43Å; L493-A546 HydrophobicContact CB-CB 4.05Å; L493-A546 HydrophobicContact CD2-CB 3.76Å; L493-I549 HydrophobicContact CD1-CB 4.46Å; L493-I549 HydrophobicContact CD1-CG2 3.68Å; L493-I549 HydrophobicContact CD2-CB 3.85Å; L493-I549 HydrophobicContact CD2-CG1 4.39Å; L493-I549 HydrophobicContact CD2-CG2 3.82Å; L493-I549 HydrophobicContact CG-CG2 4.44Å; L493-L550 HydrophobicContact CB-CD1 4.21Å; L493-L550 HydrophobicContact CB-CD2 4.23Å; L493-L550 HydrophobicContact CB-CG 4.08Å; L493-L550 HydrophobicContact CD1-CD2 4.05Å; L493-L550 HydrophobicContact CD1-CG 4.25Å; L493-L553 HydrophobicContact CD1-CD1 3.92Å |
| 494 | D | 89.9 | Confident | 84.1 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.6 | -179.5 | 47.3 | 0 | 0 | 0 | 111.4 | S490 E491 L496 S497 R498 | S490-D494 PolarHBondContact O-N 3.06Å; E491-D494 PolarHBondContact O-N 3.45Å; D494-L496 PolarHBondContact O-N 3.1Å; D494-S497 WeakPolarHBondContact O-CB 3.42Å; D494-S497 PolarHBondContact O-N 3.01Å; D494-S497 VanDerWaalsContact O-N 3.14Å; D494-S497 PolarHBondContact O-OG 3Å; D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-N 3.36Å; D494-R498 VanDerWaalsContact O-N 3.08Å; D494-R498 IonicContact OD1-NE 3.67Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 3.11Å; D494-R498 PolarHBondContact OD2-NE 3.01Å; D494-R498 VanDerWaalsContact OD2-NE 3.11Å; D494-R498 IonicContact OD2-NH2 2.63Å; D494-R498 PolarHBondContact OD2-NH2 2.95Å |
| 495 | Y | 88.8 | Confident | 85.7 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 173.2 | 178.5 | -109.7 | 0 | 0 | 0 | 112 | L459 A468 L472 L486 E491 S497 R498 V499 | L459-Y495 HydrophobicContact CD1-CD1 4.16Å; L459-Y495 HydrophobicContact CD2-CD1 4Å; L459-Y495 HydrophobicContact CD2-CE1 4.27Å; A468-Y495 HydrophobicContact CB-CE1 3.56Å; L472-Y495 HydrophobicContact CD1-CD2 4.45Å; L472-Y495 HydrophobicContact CD1-CE2 3.47Å; L472-Y495 VanDerWaalsContact CD1-CE2 3.47Å; L486-Y495 HydrophobicContact CD1-CD1 3.73Å; L486-Y495 HydrophobicContact CD1-CE1 4.38Å; L486-Y495 HydrophobicContact CD1-CG 3.81Å; E491-Y495 WeakPolarHBondContact O-CB 3.34Å; E491-Y495 PolarHBondContact O-N 3.07Å; Y495-S497 VanDerWaalsContact C-N 3.27Å; Y495-S497 PolarHBondContact O-N 3.06Å; Y495-R498 PolarHBondContact O-N 2.83Å; Y495-V499 HydrophobicContact CD1-CG2 4.35Å; Y495-V499 HydrophobicContact CE1-CG2 4.11Å; Y495-V499 HydrophobicContact CE2-CG2 4.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 2.94Å |
| 496 | L | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 175 | 177.8 | 60 | 0 | 0 | 0 | 112.4 | T452 I455 A456 L459 Q492 L493 D494 R498 V499 Q500 F502 L550 L553 | T452-L496 HydrophobicContact CG2-CD1 4.15Å; T452-L496 HydrophobicContact CG2-CD2 4.3Å; T452-L496 HydrophobicContact CG2-CG 4.48Å; I455-L496 HydrophobicContact CB-CD1 3.81Å; I455-L496 HydrophobicContact CD1-CD1 4.34Å; I455-L496 HydrophobicContact CG2-CD1 3.49Å; I455-L496 VanDerWaalsContact CG2-CD1 3.49Å; A456-L496 HydrophobicContact CB-CD2 3.98Å; L459-L496 HydrophobicContact CD1-CB 4Å; Q492-L496 WeakPolarHBondContact O-CB 3.22Å; Q492-L496 PolarHBondContact O-N 3.01Å; L493-L496 PolarHBondContact O-N 3.27Å; D494-L496 PolarHBondContact O-N 3.1Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 3.25Å; L496-V499 PolarHBondContact O-N 3.37Å; L496-Q500 WeakPolarHBondContact O-CB 3.39Å; L496-Q500 PolarHBondContact O-N 3.1Å; L496-F502 HydrophobicContact CB-CZ 4.36Å; L496-F502 HydrophobicContact CD2-CZ 4.18Å; L496-F502 HydrophobicContact CG-CE1 3.93Å; L496-F502 HydrophobicContact CG-CZ 3.77Å; L496-L550 HydrophobicContact CD2-CD2 3.83Å; L496-L553 HydrophobicContact CD2-CD1 3.64Å |
| 497 | S | 89 | Confident | 88 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.6 | 89.5 | 0 | 0 | 0 | 0 | 112.1 | L493 D494 Y495 G501 F502 | L493-S497 WeakPolarHBondContact O-CB 3.31Å; L493-S497 PolarHBondContact O-N 3.44Å; D494-S497 WeakPolarHBondContact O-CB 3.42Å; D494-S497 PolarHBondContact O-N 3.01Å; D494-S497 VanDerWaalsContact O-N 3.14Å; D494-S497 PolarHBondContact O-OG 3Å; Y495-S497 VanDerWaalsContact C-N 3.27Å; Y495-S497 PolarHBondContact O-N 3.06Å; S497-G501 WeakPolarHBondContact O-CA 3.48Å; S497-G501 PolarHBondContact O-N 3.15Å; S497-F502 VanDerWaalsContact CB-CE2 3.45Å; S497-F502 VanDerWaalsContact CB-O 3.32Å; S497-F502 WeakPolarHBondContact CB-O 3.32Å; S497-F502 PolarHBondContact O-N 3.03Å; S497-F502 VanDerWaalsContact O-N 3.15Å |
| 498 | R | 87.9 | Confident | 88.9 | Confident | 151 Ų | 151 | 53 Ų | 53 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.1 | -42 | 176.1 | -62.1 | 169.7 | -167.7 | -165.5 | 2.9 | 112.3 | D494 Y495 L496 | D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-N 3.36Å; D494-R498 VanDerWaalsContact O-N 3.08Å; D494-R498 IonicContact OD1-NE 3.67Å; D494-R498 IonicContact OD2-CZ 3.17Å; D494-R498 IonicContact OD2-NE 3.11Å; D494-R498 PolarHBondContact OD2-NE 3.01Å; D494-R498 VanDerWaalsContact OD2-NE 3.11Å; D494-R498 IonicContact OD2-NH2 2.63Å; D494-R498 PolarHBondContact OD2-NH2 2.95Å; Y495-R498 PolarHBondContact O-N 2.83Å; L496-R498 VanDerWaalsContact C-N 3.34Å; L496-R498 PolarHBondContact O-N 3.25Å |
| 499 | V | 85.9 | Confident | 88.9 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I455 A468 I471 L472 Y495 L496 | I455-V499 HydrophobicContact CD1-CG1 3.97Å; A468-V499 HydrophobicContact CB-CG1 4.02Å; A468-V499 HydrophobicContact CB-CG2 3.8Å; I471-V499 HydrophobicContact CB-CG1 4.07Å; I471-V499 HydrophobicContact CD1-CG1 4.29Å; I471-V499 HydrophobicContact CG2-CG1 3.87Å; L472-V499 HydrophobicContact CD1-CG2 3.75Å; L472-V499 HydrophobicContact CD2-CG2 4.1Å; L472-V499 HydrophobicContact CG-CG2 3.84Å; Y495-V499 HydrophobicContact CD1-CG2 4.35Å; Y495-V499 HydrophobicContact CE1-CG2 4.11Å; Y495-V499 HydrophobicContact CE2-CG2 4.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 2.94Å; L496-V499 PolarHBondContact O-N 3.37Å |
| 500 | Q | 84.1 | Confident | 88.5 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -99.2 | -14.5 | -171.5 | -169.1 | 63.8 | 2.5 | 0 | 0 | 113.9 | K448 T452 L496 F502 | K448-Q500 PolarHBondContact O-NE2 3.07Å; T452-Q500 HydrophobicContact CG2-CG 4.27Å; T452-Q500 WeakPolarHBondContact OG1-CG 3.35Å; T452-Q500 PolarHBondContact OG1-NE2 3.33Å; L496-Q500 WeakPolarHBondContact O-CB 3.39Å; L496-Q500 PolarHBondContact O-N 3.1Å; Q500-F502 HydrophobicContact CB-CD1 3.73Å; Q500-F502 HydrophobicContact CB-CE1 3.78Å; Q500-F502 HydrophobicContact CG-CD1 3.88Å; Q500-F502 HydrophobicContact CG-CE1 4.12Å |
| 501 | G | 82.8 | Confident | 87.8 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 73% | 0.732 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 32.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S497 | S497-G501 WeakPolarHBondContact O-CA 3.48Å; S497-G501 PolarHBondContact O-N 3.15Å |
| 502 | F | 86.5 | Confident | 86.5 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | trans | -105.3 | 157.1 | 171.1 | 62.8 | -103.1 | 0 | 0 | 0 | 111.2 | T452 L493 L496 S497 Q500 V504 C523 L553 | T452-F502 HydrophobicContact CG2-CE1 4.19Å; L493-F502 HydrophobicContact CD1-CE2 4.15Å; L493-F502 HydrophobicContact CD1-CZ 4.19Å; L496-F502 HydrophobicContact CB-CZ 4.36Å; L496-F502 HydrophobicContact CD2-CZ 4.18Å; L496-F502 HydrophobicContact CG-CE1 3.93Å; L496-F502 HydrophobicContact CG-CZ 3.77Å; S497-F502 VanDerWaalsContact CB-CE2 3.45Å; S497-F502 VanDerWaalsContact CB-O 3.32Å; S497-F502 WeakPolarHBondContact CB-O 3.32Å; S497-F502 PolarHBondContact O-N 3.03Å; S497-F502 VanDerWaalsContact O-N 3.15Å; Q500-F502 HydrophobicContact CB-CD1 3.73Å; Q500-F502 HydrophobicContact CB-CE1 3.78Å; Q500-F502 HydrophobicContact CG-CD1 3.88Å; Q500-F502 HydrophobicContact CG-CE1 4.12Å; F502-V504 HydrophobicContact CD2-CG2 3.91Å; F502-V504 HydrophobicContact CE2-CG2 3.69Å; F502-C523 WeakPolarHBondContact CD2-SG 3.35Å; F502-C523 WeakPolarHBondContact CE2-SG 3.5Å; F502-L553 HydrophobicContact CZ-CD1 4.09Å | ||
| 503 | Q | 86.7 | Confident | 85.2 | Confident | 115 Ų | 115 | 70.2 Ų | 70.2 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | trans | -98.5 | 147.1 | 178.7 | -70.9 | 178.8 | 76.9 | 0 | 0 | 111.2 | S524 | Q503-S524 PolarHBondContact N-OG 3.31Å; Q503-S524 PolarHBondContact O-N 3.21Å | ||
| 504 | V | 90.9 | Very high | 84.1 | Confident | 33 Ų | 33 | 79.9 Ų | 79.9 | 20% | 0.2 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | L493 F502 Y506 I521 | L493-V504 HydrophobicContact CD2-CG1 4.18Å; L493-V504 HydrophobicContact CG-CG2 4.23Å; F502-V504 HydrophobicContact CD2-CG2 3.91Å; F502-V504 HydrophobicContact CE2-CG2 3.69Å; V504-Y506 HydrophobicContact CG1-CD2 4.24Å; V504-Y506 HydrophobicContact CG1-CE2 3.62Å; V504-I521 HydrophobicContact CG1-CD1 3.57Å; V504-I521 HydrophobicContact CG1-CG1 3.71Å |
| 505 | E | 92.6 | Very high | 83.1 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.2 | 179.7 | -178.1 | -169.6 | -170.3 | 0 | 0 | 109.6 | I521 N522 | E505-I521 CarbonylContact O-C 3.01Å; E505-I521 WeakPolarHBondContact O-CA 3.47Å; E505-N522 HydrophobicContact CB-CB 4.35Å; E505-N522 PolarHBondContact N-O 3.01Å; E505-N522 PolarHBondContact O-N 3.42Å; E505-N522 PolarHBondContact OE2-ND2 3.15Å |
| 506 | Y | 91.7 | Very high | 82.8 | Confident | 65 Ų | 65 | 86 Ų | 86 | 26% | 0.255 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.8 | 174.9 | -65.1 | -94.3 | 0 | 0 | 0 | 110.3 | V504 I521 H542 | V504-Y506 HydrophobicContact CG1-CD2 4.24Å; V504-Y506 HydrophobicContact CG1-CE2 3.62Å; Y506-I521 HydrophobicContact CD1-CB 4.22Å; Y506-I521 HydrophobicContact CD1-CD1 4.01Å; Y506-I521 HydrophobicContact CD1-CG1 3.91Å; Y506-I521 HydrophobicContact CE1-CB 4.31Å; Y506-I521 HydrophobicContact CE1-CD1 3.32Å; Y506-I521 HydrophobicContact CE1-CG1 3.77Å; Y506-I521 HydrophobicContact CE2-CD1 4.26Å; Y506-I521 HydrophobicContact CG-CG1 4.38Å; Y506-I521 VanDerWaalsContact CZ-CD1 3.48Å; Y506-H542 HydrophobicContact CD1-CB 4.07Å; Y506-H542 AromaticContact CD1-CD2 3.56Å; Y506-H542 AromaticContact CD1-CG 3.71Å; Y506-H542 HydrophobicContact CE1-CB 3.84Å; Y506-H542 AromaticContact CE1-CG 3.99Å |
| 507 | K | 92.4 | Very high | 82.7 | Confident | 119 Ų | 119 | 89 Ų | 89 | 52% | 0.517 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 114 | 178 | -171.6 | 170.8 | -172.4 | 160.2 | 0 | 111.3 | F509 S519 L520 | K507-F509 HydrophobicContact CB-CE2 4.32Å; K507-F509 HydrophobicContact CD-CE2 4.25Å; K507-F509 HydrophobicContact CD-CZ 3.81Å; K507-F509 HydrophobicContact CG-CE2 3.84Å; K507-F509 HydrophobicContact CG-CZ 3.78Å; K507-F509 WeakPolarHBondContact O-CD2 3.43Å; K507-F509 WeakPolarHBondContact O-CE2 3.43Å; K507-S519 WeakPolarHBondContact O-CA 3.5Å; K507-L520 PolarHBondContact N-O 3.29Å; K507-L520 PolarHBondContact O-N 3.42Å |
| 508 | D | 90.7 | Very high | 82.8 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.8 | -168.3 | -56.9 | -31.7 | 0 | 0 | 0 | 112.7 | S519 V538 H542 | D508-S519 VanDerWaalsContact OD1-CB 3.22Å; D508-S519 WeakPolarHBondContact OD1-CB 3.39Å; D508-S519 PolarHBondContact OD1-OG 3.3Å; D508-V538 WeakPolarHBondContact OD2-CG1 3.39Å; D508-H542 VanDerWaalsContact CG-NE2 3.29Å; D508-H542 IonicContact OD1-CD2 3.07Å; D508-H542 PolarHBondContact OD1-CD2 3.5Å; D508-H542 IonicContact OD1-CE1 2.77Å; D508-H542 IonicContact OD1-NE2 3.24Å; D508-H542 PolarHBondContact OD1-NE2 3.19Å; D508-H542 IonicContact OD2-CE1 2.7Å; D508-H542 IonicContact OD2-NE2 3.81Å; D508-H542 PolarHBondContact OD2-NE2 2.9Å; D508-H542 VanDerWaalsContact OD2-NE2 3.07Å |
| 509 | F | 88.1 | Confident | 83 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 113.1 | -179.5 | -58.9 | -85.6 | 0 | 0 | 0 | 109.6 | K507 K511 V518 L520 | K507-F509 HydrophobicContact CB-CE2 4.32Å; K507-F509 HydrophobicContact CD-CE2 4.25Å; K507-F509 HydrophobicContact CD-CZ 3.81Å; K507-F509 HydrophobicContact CG-CE2 3.84Å; K507-F509 HydrophobicContact CG-CZ 3.78Å; K507-F509 WeakPolarHBondContact O-CD2 3.43Å; K507-F509 WeakPolarHBondContact O-CE2 3.43Å; F509-K511 PolarHBondContact O-N 3.5Å; F509-V518 WeakPolarHBondContact CB-O 3.36Å; F509-V518 PolarHBondContact N-O 2.99Å; F509-V518 PolarHBondContact O-N 3.44Å; F509-L520 HydrophobicContact CE2-CB 4.14Å |
| 510 | P | 81.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 86 Ų | 86 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131.9 | 175.6 | 28.1 | -33.4 | 0 | 0 | 0 | 110.3 | F517 | P510-F517 HydrophobicContact CB-CD1 4.44Å; P510-F517 HydrophobicContact CB-CE1 4.41Å |
| 511 | K | 75.8 | Confident | 83.8 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | trans | -89.4 | 136.3 | 178.4 | -154.2 | 174.9 | 175.7 | -173.1 | 0 | 109.2 | F509 N513 E516 V518 | F509-K511 PolarHBondContact O-N 3.5Å; K511-N513 PolarHBondContact O-N 3.44Å; K511-E516 HydrophobicContact CB-CB 4.17Å; K511-E516 WeakPolarHBondContact CB-O 3.39Å; K511-E516 HydrophobicContact CD-CB 3.89Å; K511-E516 VanDerWaalsContact CD-OE2 3.27Å; K511-E516 WeakPolarHBondContact CD-OE2 3.43Å; K511-E516 VanDerWaalsContact CE-OE2 3.31Å; K511-E516 WeakPolarHBondContact CE-OE2 3.37Å; K511-E516 PolarHBondContact N-O 3.3Å; K511-E516 VanDerWaalsContact N-O 3.15Å; K511-E516 IonicContact NZ-OE2 2.71Å; K511-E516 PolarHBondContact NZ-OE2 2.85Å; K511-V518 HydrophobicContact CD-CG2 4.2Å | ||
| 512 | N | 60.9 | Low | 84.2 | Confident | 167 Ų | 167 | 83.8 Ų | 83.8 | 89% | 0.893 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -72.5 | 11.8 | -173 | -152.5 | 106.2 | 0 | 0 | 0 | 114.5 | ||
| 513 | N | 63.6 | Low | 84.4 | Confident | 115 Ų | 115 | 83 Ų | 83 | 62% | 0.615 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -112 | 132.1 | 170.4 | -77.2 | -29.6 | 0 | 0 | 0 | 107.6 | K511 N515 | K511-N513 PolarHBondContact O-N 3.44Å; N513-N515 PolarHBondContact O-N 3.06Å |
| 514 | K | 68.4 | Low | 84.4 | Confident | 203 Ų | 203 | 79.4 Ų | 79.4 | 88% | 0.883 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 121.9 | -169.1 | -56.4 | 174.6 | -175.7 | 179.6 | 0 | 110.9 | ||
| 515 | N | 68.2 | Low | 84 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 38.3 | 172 | -45.5 | 10.5 | 0 | 0 | 0 | 116.3 | N513 | N513-N515 PolarHBondContact O-N 3.06Š|
| 516 | E | 82.6 | Confident | 83.2 | Confident | 80 Ų | 80 | 77.1 Ų | 77.1 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | trans | -133.4 | 134.6 | 164.7 | -70 | -177.1 | 170.9 | 0 | 0 | 111.7 | K511 G535 | K511-E516 HydrophobicContact CB-CB 4.17Å; K511-E516 WeakPolarHBondContact CB-O 3.39Å; K511-E516 HydrophobicContact CD-CB 3.89Å; K511-E516 VanDerWaalsContact CD-OE2 3.27Å; K511-E516 WeakPolarHBondContact CD-OE2 3.43Å; K511-E516 VanDerWaalsContact CE-OE2 3.31Å; K511-E516 WeakPolarHBondContact CE-OE2 3.37Å; K511-E516 PolarHBondContact N-O 3.3Å; K511-E516 VanDerWaalsContact N-O 3.15Å; K511-E516 IonicContact NZ-OE2 2.71Å; K511-E516 PolarHBondContact NZ-OE2 2.85Å; E516-G535 WeakPolarHBondContact CA-O 3.46Å | ||
| 517 | F | 85.9 | Confident | 82.7 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.3 | 173.5 | -64.1 | -91.1 | 0 | 0 | 0 | 110.4 | P510 I534 G535 K536 V538 C541 | P510-F517 HydrophobicContact CB-CD1 4.44Å; P510-F517 HydrophobicContact CB-CE1 4.41Å; F517-I534 WeakPolarHBondContact O-CA 3.42Å; F517-G535 PolarHBondContact N-O 3.4Å; F517-G535 PolarHBondContact O-N 3.05Å; F517-G535 VanDerWaalsContact O-N 3.08Å; F517-K536 VanDerWaalsContact CD2-O 3.26Å; F517-K536 WeakPolarHBondContact CD2-O 3.28Å; F517-K536 WeakPolarHBondContact CE2-O 3.47Å; F517-V538 HydrophobicContact CD1-CG2 3.73Å; F517-V538 HydrophobicContact CD2-CG2 4.42Å; F517-V538 HydrophobicContact CE1-CG2 3.9Å; F517-V538 HydrophobicContact CG-CG2 4.01Å; F517-V538 HydrophobicContact CZ-CG2 4.32Å; F517-C541 WeakPolarHBondContact CB-SG 3.44Å |
| 518 | V | 91.4 | Very high | 82.2 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.7 | 174 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | F509 K511 G533 I534 | F509-V518 WeakPolarHBondContact CB-O 3.36Å; F509-V518 PolarHBondContact N-O 2.99Å; F509-V518 PolarHBondContact O-N 3.44Å; K511-V518 HydrophobicContact CD-CG2 4.2Å; V518-G533 WeakPolarHBondContact CA-O 3.48Å; V518-I534 HydrophobicContact CG1-CG1 4.37Å; V518-I534 HydrophobicContact CG2-CG1 4.17Å; V518-I534 HydrophobicContact CG2-CG2 4.36Å |
| 519 | S | 91.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | K507 D508 H532 G533 C541 H542 | K507-S519 WeakPolarHBondContact O-CA 3.5Å; D508-S519 VanDerWaalsContact OD1-CB 3.22Å; D508-S519 WeakPolarHBondContact OD1-CB 3.39Å; D508-S519 PolarHBondContact OD1-OG 3.3Å; S519-H532 CarbonylContact O-C 3.58Å; S519-H532 VanDerWaalsContact O-CA 3.24Å; S519-H532 WeakPolarHBondContact O-CA 3.17Å; S519-G533 PolarHBondContact N-O 3.08Å; S519-G533 PolarHBondContact O-N 3.17Å; S519-C541 PolarHBondContact OG-SG 3.49Å; S519-H542 PolarHBondContact OG-CD2 2.77Å; S519-H542 VanDerWaalsContact OG-CD2 3.26Å |
| 520 | L | 93.2 | Very high | 82.3 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.9 | 167 | -170.2 | 79 | 0 | 0 | 0 | 107.9 | K507 F509 I530 S531 H532 | K507-L520 PolarHBondContact N-O 3.29Å; K507-L520 PolarHBondContact O-N 3.42Å; F509-L520 HydrophobicContact CE2-CB 4.14Å; L520-I530 HydrophobicContact CD1-CG2 3.87Å; L520-I530 HydrophobicContact CG-CG2 4.18Å; L520-S531 WeakPolarHBondContact CD1-O 3.46Å; L520-H532 HydrophobicContact CD1-CB 4.31Å |
| 521 | I | 93.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135 | 175.5 | -164.8 | 179.3 | 0 | 0 | 0 | 109.6 | L493 V504 E505 Y506 I530 S531 A545 A546 I549 | L493-I521 HydrophobicContact CD2-CD1 3.43Å; L493-I521 VanDerWaalsContact CD2-CD1 3.43Å; V504-I521 HydrophobicContact CG1-CD1 3.57Å; V504-I521 HydrophobicContact CG1-CG1 3.71Å; E505-I521 CarbonylContact O-C 3.01Å; E505-I521 WeakPolarHBondContact O-CA 3.47Å; Y506-I521 HydrophobicContact CD1-CB 4.22Å; Y506-I521 HydrophobicContact CD1-CD1 4.01Å; Y506-I521 HydrophobicContact CD1-CG1 3.91Å; Y506-I521 HydrophobicContact CE1-CB 4.31Å; Y506-I521 HydrophobicContact CE1-CD1 3.32Å; Y506-I521 HydrophobicContact CE1-CG1 3.77Å; Y506-I521 HydrophobicContact CE2-CD1 4.26Å; Y506-I521 HydrophobicContact CG-CG1 4.38Å; Y506-I521 VanDerWaalsContact CZ-CD1 3.48Å; I521-I530 WeakPolarHBondContact O-CA 3.38Å; I521-I530 WeakPolarHBondContact O-CG2 3.24Å; I521-S531 WeakPolarHBondContact CG2-OG 3.35Å; I521-S531 PolarHBondContact N-O 3.37Å; I521-S531 PolarHBondContact O-N 2.71Å; I521-S531 VanDerWaalsContact O-N 3.12Å; I521-A545 HydrophobicContact CB-CB 4.01Å; I521-A545 HydrophobicContact CG2-CB 3.8Å; I521-A546 HydrophobicContact CD1-CB 4.43Å; I521-I549 HydrophobicContact CD1-CG1 4.22Å; I521-I549 HydrophobicContact CG2-CD1 3.99Å; I521-I549 HydrophobicContact CG2-CG1 3.47Å; I521-I549 VanDerWaalsContact CG2-CG1 3.47Å |
| 522 | N | 92.1 | Very high | 83.6 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117 | 176.6 | 177.7 | 31.3 | 0 | 0 | 0 | 108.5 | E505 | E505-N522 HydrophobicContact CB-CB 4.35Å; E505-N522 PolarHBondContact N-O 3.01Å; E505-N522 PolarHBondContact O-N 3.42Å; E505-N522 PolarHBondContact OE2-ND2 3.15Å |
| 523 | C | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.3 | -177.2 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | F502 S525 L529 I549 | F502-C523 WeakPolarHBondContact CD2-SG 3.35Å; F502-C523 WeakPolarHBondContact CE2-SG 3.5Å; C523-S525 PolarHBondContact O-N 2.96Å; C523-L529 HydrophobicContact CB-CB 4.29Å; C523-L529 WeakPolarHBondContact CB-O 3.39Å; C523-L529 PolarHBondContact N-O 2.68Å; C523-L529 PolarHBondContact O-N 3.33Å; C523-I549 HydrophobicContact CB-CD1 4.29Å; C523-I549 HydrophobicContact CB-CG2 4.15Å |
| 524 | S | 87 | Confident | 86.3 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | trans | -78.8 | 30.9 | -179.8 | 88.9 | 0 | 0 | 0 | 0 | 113.1 | Q503 | Q503-S524 PolarHBondContact N-OG 3.31Å; Q503-S524 PolarHBondContact O-N 3.21Å | ||
| 525 | S | 82.6 | Confident | 87.2 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -61.9 | 173.1 | 171.3 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | C523 P527 P528 L529 | C523-S525 PolarHBondContact O-N 2.96Å; S525-P527 VanDerWaalsContact C-C 3.4Å; S525-P527 CarbonylContact C-O 3.45Å; S525-P527 WeakPolarHBondContact CB-O 3.49Å; S525-P527 CarbonylContact O-C 3.52Å; S525-P527 VanDerWaalsContact O-O 3.11Å; S525-P527 PolarHBondContact OG-O 3.27Å; S525-P528 WeakPolarHBondContact O-CA 3.48Å; S525-L529 WeakPolarHBondContact OG-CG 3.43Å | ||
| 526 | Q | 76.2 | Confident | 88.2 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -121.9 | 103.9 | 174.6 | -173.6 | 62.4 | 50.9 | 0 | 0 | 108.8 | P444 | P444-Q526 HydrophobicContact CB-CG 3.75Å; P444-Q526 HydrophobicContact CG-CG 4.32Å |
| 527 | P | 79.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -69.5 | 157.5 | 2.6 | 31.9 | -37.2 | 0 | 0 | 0 | 113.6 | S525 L556 | S525-P527 VanDerWaalsContact C-C 3.4Å; S525-P527 CarbonylContact C-O 3.45Å; S525-P527 WeakPolarHBondContact CB-O 3.49Å; S525-P527 CarbonylContact O-C 3.52Å; S525-P527 VanDerWaalsContact O-O 3.11Å; S525-P527 PolarHBondContact OG-O 3.27Å; P527-L556 HydrophobicContact CG-CD2 3.78Å |
| 528 | P | 83.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | trans | -68.7 | 135.9 | 177.3 | 27.9 | -34.6 | 0 | 0 | 0 | 110.3 | S525 | S525-P528 WeakPolarHBondContact O-CA 3.48Š| ||
| 529 | L | 89.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.5 | -174.7 | -64.6 | 176.4 | 0 | 0 | 0 | 110.7 | C523 S525 I549 L552 L553 | C523-L529 HydrophobicContact CB-CB 4.29Å; C523-L529 WeakPolarHBondContact CB-O 3.39Å; C523-L529 PolarHBondContact N-O 2.68Å; C523-L529 PolarHBondContact O-N 3.33Å; S525-L529 WeakPolarHBondContact OG-CG 3.43Å; L529-I549 HydrophobicContact CB-CD1 3.64Å; L529-L552 HydrophobicContact CD1-CB 3.91Å; L529-L552 HydrophobicContact CD2-CB 4.39Å; L529-L553 HydrophobicContact CD1-CD2 3.51Å; L529-L553 HydrophobicContact CD1-CG 3.74Å |
| 530 | I | 91 | Very high | 88.6 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.4 | 176.9 | -60.2 | 175.1 | 0 | 0 | 0 | 107.7 | L520 I521 | L520-I530 HydrophobicContact CD1-CG2 3.87Å; L520-I530 HydrophobicContact CG-CG2 4.18Å; I521-I530 WeakPolarHBondContact O-CA 3.38Å; I521-I530 WeakPolarHBondContact O-CG2 3.24Å |
| 531 | S | 91.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 172.8 | 174.3 | 107.3 | 0 | 0 | 0 | 0 | 110.6 | L520 I521 A545 | L520-S531 WeakPolarHBondContact CD1-O 3.46Å; I521-S531 WeakPolarHBondContact CG2-OG 3.35Å; I521-S531 PolarHBondContact N-O 3.37Å; I521-S531 PolarHBondContact O-N 2.71Å; I521-S531 VanDerWaalsContact O-N 3.12Å; S531-A545 WeakPolarHBondContact OG-CA 3.38Å; S531-A545 PolarHBondContact OG-O 2.93Å |
| 532 | H | 92.4 | Very high | 88.6 | Confident | 107 Ų | 107 | 57.1 Ų | 57.1 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.2 | 168.6 | 62.6 | -75.6 | 0 | 0 | 0 | 110.2 | S519 L520 N548 | S519-H532 CarbonylContact O-C 3.58Å; S519-H532 VanDerWaalsContact O-CA 3.24Å; S519-H532 WeakPolarHBondContact O-CA 3.17Å; L520-H532 HydrophobicContact CD1-CB 4.31Å; H532-N548 PolarHBondContact O-ND2 3.08Å |
| 533 | G | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V518 S519 C541 | V518-G533 WeakPolarHBondContact CA-O 3.48Å; S519-G533 PolarHBondContact N-O 3.08Å; S519-G533 PolarHBondContact O-N 3.17Å; G533-C541 WeakPolarHBondContact CA-O 3.36Å; G533-C541 WeakPolarHBondContact O-CB 3.38Å |
| 534 | I | 90.9 | Very high | 88.8 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.5 | 174.6 | -52.3 | -178.7 | 0 | 0 | 0 | 106.5 | F517 V518 | F517-I534 WeakPolarHBondContact O-CA 3.42Å; V518-I534 HydrophobicContact CG1-CG1 4.37Å; V518-I534 HydrophobicContact CG2-CG1 4.17Å; V518-I534 HydrophobicContact CG2-CG2 4.36Å |
| 535 | G | 87.4 | Confident | 89.2 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 167.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E516 F517 D537 | E516-G535 WeakPolarHBondContact CA-O 3.46Å; F517-G535 PolarHBondContact N-O 3.4Å; F517-G535 PolarHBondContact O-N 3.05Å; F517-G535 VanDerWaalsContact O-N 3.08Å; G535-D537 VanDerWaalsContact C-N 3.34Å |
| 536 | K | 88.2 | Confident | 89.7 | Confident | 154 Ų | 154 | 57.5 Ų | 57.5 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -76.2 | -28.7 | 175.8 | -66 | 178.3 | -178.4 | 175.4 | 0 | 112.2 | F517 | F517-K536 VanDerWaalsContact CD2-O 3.26Å; F517-K536 WeakPolarHBondContact CD2-O 3.28Å; F517-K536 WeakPolarHBondContact CE2-O 3.47Å |
| 537 | D | 89.4 | Confident | 90.5 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -131.7 | 157 | -177.4 | -50 | -73 | 0 | 0 | 0 | 109 | G535 E539 S540 C541 | G535-D537 VanDerWaalsContact C-N 3.34Å; D537-E539 VanDerWaalsContact C-N 3.27Å; D537-E539 PolarHBondContact O-N 3.08Å; D537-S540 WeakPolarHBondContact O-CB 3.27Å; D537-S540 PolarHBondContact O-N 2.95Å; D537-C541 PolarHBondContact O-N 2.74Å; D537-C541 VanDerWaalsContact O-N 3.12Å; D537-C541 PolarHBondContact O-SG 2.87Å; D537-C541 VanDerWaalsContact O-SG 3.39Å |
| 538 | V | 90 | Very high | 91.2 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.291 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55 | -44 | -178 | 176 | 0 | 0 | 0 | 0 | 111.7 | D508 F517 S540 C541 H542 | D508-V538 WeakPolarHBondContact OD2-CG1 3.39Å; F517-V538 HydrophobicContact CD1-CG2 3.73Å; F517-V538 HydrophobicContact CD2-CG2 4.42Å; F517-V538 HydrophobicContact CE1-CG2 3.9Å; F517-V538 HydrophobicContact CG-CG2 4.01Å; F517-V538 HydrophobicContact CZ-CG2 4.32Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 3.41Å; V538-C541 VanDerWaalsContact CA-SG 3.52Å; V538-C541 PolarHBondContact O-N 2.95Å; V538-C541 PolarHBondContact O-SG 3.16Å; V538-H542 PolarHBondContact O-CD2 3.1Å; V538-H542 PolarHBondContact O-N 3.37Å |
| 539 | E | 90.5 | Very high | 91.6 | Very high | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.1 | -33.9 | -179.9 | -52.9 | 173.2 | -162.9 | 0 | 0 | 112.2 | R488 D537 H542 D543 | R488-E539 IonicContact CZ-OE2 2.66Å; R488-E539 IonicContact NH1-OE2 2.74Å; R488-E539 PolarHBondContact NH1-OE2 3.31Å; R488-E539 IonicContact NH2-OE2 2.66Å; D537-E539 VanDerWaalsContact C-N 3.27Å; D537-E539 PolarHBondContact O-N 3.08Å; E539-H542 PolarHBondContact O-N 3.28Å; E539-D543 PolarHBondContact O-N 3.5Å |
| 540 | S | 91.2 | Very high | 91.7 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71 | -35.5 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 112 | D537 V538 M544 | D537-S540 WeakPolarHBondContact O-CB 3.27Å; D537-S540 PolarHBondContact O-N 2.95Å; V538-S540 VanDerWaalsContact C-N 3.3Å; V538-S540 PolarHBondContact O-N 3.41Å; S540-M544 WeakPolarHBondContact O-CB 3.32Å; S540-M544 PolarHBondContact O-N 2.99Å; S540-M544 VanDerWaalsContact O-N 3.11Å |
| 541 | C | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75 | -29.1 | 170.6 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | F517 S519 G533 D537 V538 A545 | F517-C541 WeakPolarHBondContact CB-SG 3.44Å; S519-C541 PolarHBondContact OG-SG 3.49Å; G533-C541 WeakPolarHBondContact CA-O 3.36Å; G533-C541 WeakPolarHBondContact O-CB 3.38Å; D537-C541 PolarHBondContact O-N 2.74Å; D537-C541 VanDerWaalsContact O-N 3.12Å; D537-C541 PolarHBondContact O-SG 2.87Å; D537-C541 VanDerWaalsContact O-SG 3.39Å; V538-C541 VanDerWaalsContact CA-SG 3.52Å; V538-C541 PolarHBondContact O-N 2.95Å; V538-C541 PolarHBondContact O-SG 3.16Å; C541-A545 VanDerWaalsContact O-CB 3.27Å; C541-A545 WeakPolarHBondContact O-CB 3.16Å; C541-A545 PolarHBondContact O-N 3.25Å |
| 542 | H | 93.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 19% | 0.185 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 168.9 | -69.4 | 179.1 | 0 | 0 | 0 | 111.4 | Y506 D508 S519 V538 E539 M544 A545 A546 | Y506-H542 HydrophobicContact CD1-CB 4.07Å; Y506-H542 AromaticContact CD1-CD2 3.56Å; Y506-H542 AromaticContact CD1-CG 3.71Å; Y506-H542 HydrophobicContact CE1-CB 3.84Å; Y506-H542 AromaticContact CE1-CG 3.99Å; D508-H542 VanDerWaalsContact CG-NE2 3.29Å; D508-H542 IonicContact OD1-CD2 3.07Å; D508-H542 PolarHBondContact OD1-CD2 3.5Å; D508-H542 IonicContact OD1-CE1 2.77Å; D508-H542 IonicContact OD1-NE2 3.24Å; D508-H542 PolarHBondContact OD1-NE2 3.19Å; D508-H542 IonicContact OD2-CE1 2.7Å; D508-H542 IonicContact OD2-NE2 3.81Å; D508-H542 PolarHBondContact OD2-NE2 2.9Å; D508-H542 VanDerWaalsContact OD2-NE2 3.07Å; S519-H542 PolarHBondContact OG-CD2 2.77Å; S519-H542 VanDerWaalsContact OG-CD2 3.26Å; V538-H542 PolarHBondContact O-CD2 3.1Å; V538-H542 PolarHBondContact O-N 3.37Å; E539-H542 PolarHBondContact O-N 3.28Å; H542-M544 VanDerWaalsContact C-N 3.35Å; H542-M544 PolarHBondContact O-N 3.48Å; H542-A545 PolarHBondContact O-N 3.45Å; H542-A546 VanDerWaalsContact O-CB 3.28Å; H542-A546 WeakPolarHBondContact O-CB 3.47Å; H542-A546 PolarHBondContact O-N 2.96Å |
| 543 | D | 93.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 177.1 | -77.5 | -32.5 | 0 | 0 | 0 | 112.1 | R488 P489 S490 E539 A546 L547 | R488-D543 IonicContact CZ-OD2 2.8Å; R488-D543 IonicContact NE-OD1 3.45Å; R488-D543 IonicContact NE-OD2 3.97Å; R488-D543 PolarHBondContact NE-OD2 2.92Å; R488-D543 IonicContact NH2-OD2 3.6Å; R488-D543 PolarHBondContact NH2-OD2 3.29Å; P489-D543 WeakPolarHBondContact CB-O 3.4Å; P489-D543 HydrophobicContact CG-CB 4.47Å; S490-D543 VanDerWaalsContact CB-OD1 3.22Å; S490-D543 WeakPolarHBondContact CB-OD1 3.24Å; S490-D543 PolarHBondContact N-OD1 2.78Å; S490-D543 VanDerWaalsContact N-OD1 3.12Å; S490-D543 PolarHBondContact OG-OD1 3.03Å; E539-D543 PolarHBondContact O-N 3.5Å; D543-A546 PolarHBondContact O-N 2.87Å; D543-L547 VanDerWaalsContact O-CB 3.25Å; D543-L547 WeakPolarHBondContact O-CB 3.44Å; D543-L547 PolarHBondContact O-N 2.77Å |
| 544 | M | 93.5 | Very high | 91.3 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 178.2 | -170.2 | 59.7 | 60.3 | 0 | 0 | 112.5 | S540 H542 N548 | S540-M544 WeakPolarHBondContact O-CB 3.32Å; S540-M544 PolarHBondContact O-N 2.99Å; S540-M544 VanDerWaalsContact O-N 3.11Å; H542-M544 VanDerWaalsContact C-N 3.35Å; H542-M544 PolarHBondContact O-N 3.48Å; M544-N548 PolarHBondContact O-N 3.15Å; M544-N548 PolarHBondContact O-ND2 3.21Å |
| 545 | A | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | I521 S531 C541 H542 N548 I549 | I521-A545 HydrophobicContact CB-CB 4.01Å; I521-A545 HydrophobicContact CG2-CB 3.8Å; S531-A545 WeakPolarHBondContact OG-CA 3.38Å; S531-A545 PolarHBondContact OG-O 2.93Å; C541-A545 VanDerWaalsContact O-CB 3.27Å; C541-A545 WeakPolarHBondContact O-CB 3.16Å; C541-A545 PolarHBondContact O-N 3.25Å; H542-A545 PolarHBondContact O-N 3.45Å; A545-N548 PolarHBondContact O-N 2.99Å; A545-I549 PolarHBondContact O-N 2.78Å; A545-I549 VanDerWaalsContact O-N 3.14Å |
| 546 | A | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P489 L493 I521 H542 D543 N548 I549 L550 | P489-A546 HydrophobicContact CB-CB 4.4Å; P489-A546 WeakPolarHBondContact O-CB 3.45Å; L493-A546 HydrophobicContact CB-CB 4.05Å; L493-A546 HydrophobicContact CD2-CB 3.76Å; I521-A546 HydrophobicContact CD1-CB 4.43Å; H542-A546 VanDerWaalsContact O-CB 3.28Å; H542-A546 WeakPolarHBondContact O-CB 3.47Å; H542-A546 PolarHBondContact O-N 2.96Å; D543-A546 PolarHBondContact O-N 2.87Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 PolarHBondContact O-N 2.8Å; A546-I549 PolarHBondContact O-N 2.89Å; A546-I549 VanDerWaalsContact O-N 3.07Å; A546-L550 WeakPolarHBondContact O-CG 3.44Å; A546-L550 PolarHBondContact O-N 2.79Å |
| 547 | L | 93.2 | Very high | 89.1 | Confident | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -37.6 | 174.6 | -176.8 | 140.2 | 0 | 0 | 0 | 112.3 | P489 D543 K551 | P489-L547 HydrophobicContact CB-CB 3.74Å; P489-L547 HydrophobicContact CB-CD1 4.4Å; P489-L547 HydrophobicContact CG-CB 4.06Å; P489-L547 HydrophobicContact CG-CD1 3.86Å; D543-L547 VanDerWaalsContact O-CB 3.25Å; D543-L547 WeakPolarHBondContact O-CB 3.44Å; D543-L547 PolarHBondContact O-N 2.77Å; L547-K551 HydrophobicContact CD2-CD 4.01Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 2.7Å; L547-K551 VanDerWaalsContact O-N 3.08Å |
| 548 | N | 93.3 | Very high | 87.3 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 174.6 | -72.1 | -28.9 | 0 | 0 | 0 | 112.3 | H532 M544 A545 A546 L552 | H532-N548 PolarHBondContact O-ND2 3.08Å; M544-N548 PolarHBondContact O-N 3.15Å; M544-N548 PolarHBondContact O-ND2 3.21Å; A545-N548 PolarHBondContact O-N 2.99Å; A546-N548 VanDerWaalsContact C-N 3.27Å; A546-N548 PolarHBondContact O-N 2.8Å; N548-L552 WeakPolarHBondContact O-CG 3.32Å; N548-L552 PolarHBondContact O-N 2.95Å; N548-L552 VanDerWaalsContact O-N 3.15Å |
| 549 | I | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.1 | -66.7 | -69 | 0 | 0 | 0 | 111.2 | L493 I521 C523 L529 A545 A546 K551 L552 L553 | L493-I549 HydrophobicContact CD1-CB 4.46Å; L493-I549 HydrophobicContact CD1-CG2 3.68Å; L493-I549 HydrophobicContact CD2-CB 3.85Å; L493-I549 HydrophobicContact CD2-CG1 4.39Å; L493-I549 HydrophobicContact CD2-CG2 3.82Å; L493-I549 HydrophobicContact CG-CG2 4.44Å; I521-I549 HydrophobicContact CD1-CG1 4.22Å; I521-I549 HydrophobicContact CG2-CD1 3.99Å; I521-I549 HydrophobicContact CG2-CG1 3.47Å; I521-I549 VanDerWaalsContact CG2-CG1 3.47Å; C523-I549 HydrophobicContact CB-CD1 4.29Å; C523-I549 HydrophobicContact CB-CG2 4.15Å; L529-I549 HydrophobicContact CB-CD1 3.64Å; A545-I549 PolarHBondContact O-N 2.78Å; A545-I549 VanDerWaalsContact O-N 3.14Å; A546-I549 PolarHBondContact O-N 2.89Å; A546-I549 VanDerWaalsContact O-N 3.07Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.22Å; I549-L552 PolarHBondContact O-N 2.88Å; I549-L552 VanDerWaalsContact O-N 3.15Å; I549-L553 HydrophobicContact CG2-CD1 3.79Å; I549-L553 HydrophobicContact CG2-CG 4.15Å; I549-L553 WeakPolarHBondContact O-CG 3.25Å; I549-L553 PolarHBondContact O-N 2.8Å |
| 550 | L | 91.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 177.7 | -75.3 | 167.6 | 0 | 0 | 0 | 111.7 | A456 L460 P489 Q492 L493 L496 A546 L553 S554 | A456-L550 HydrophobicContact CB-CD2 4.49Å; L460-L550 HydrophobicContact CD1-CB 4.14Å; L460-L550 HydrophobicContact CD2-CB 3.87Å; L460-L550 HydrophobicContact CD2-CD1 4.32Å; L460-L550 HydrophobicContact CG-CB 4.04Å; P489-L550 HydrophobicContact CB-CD1 4.32Å; P489-L550 WeakPolarHBondContact O-CD1 3.34Å; Q492-L550 HydrophobicContact CB-CD1 3.75Å; L493-L550 HydrophobicContact CB-CD1 4.21Å; L493-L550 HydrophobicContact CB-CD2 4.23Å; L493-L550 HydrophobicContact CB-CG 4.08Å; L493-L550 HydrophobicContact CD1-CD2 4.05Å; L493-L550 HydrophobicContact CD1-CG 4.25Å; L496-L550 HydrophobicContact CD2-CD2 3.83Å; A546-L550 WeakPolarHBondContact O-CG 3.44Å; A546-L550 PolarHBondContact O-N 2.79Å; L550-L553 PolarHBondContact O-N 2.82Å; L550-S554 WeakPolarHBondContact O-CB 3.5Å; L550-S554 PolarHBondContact O-N 3.02Å |
| 551 | K | 91.5 | Very high | 80.2 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -50 | 172.7 | -76 | 175.1 | 177.5 | 179.1 | 0 | 112 | L460 L547 I549 L553 S554 E555 | L460-K551 HydrophobicContact CD1-CG 4.19Å; L547-K551 HydrophobicContact CD2-CD 4.01Å; L547-K551 WeakPolarHBondContact O-CG 3.43Å; L547-K551 PolarHBondContact O-N 2.7Å; L547-K551 VanDerWaalsContact O-N 3.08Å; I549-K551 VanDerWaalsContact C-N 3.3Å; I549-K551 PolarHBondContact O-N 3.22Å; K551-L553 VanDerWaalsContact C-N 3.33Å; K551-L553 PolarHBondContact O-N 3.49Å; K551-S554 WeakPolarHBondContact O-CB 3.23Å; K551-S554 PolarHBondContact O-N 2.74Å; K551-S554 VanDerWaalsContact O-N 3.08Å; K551-S554 PolarHBondContact O-OG 2.89Å; K551-E555 WeakPolarHBondContact O-CG 3.21Å; K551-E555 PolarHBondContact O-N 3.39Å; K551-E555 VanDerWaalsContact O-N 3.08Å |
| 552 | L | 90.5 | Very high | 77.2 | Confident | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 177.2 | -70.1 | 168.6 | 0 | 0 | 0 | 112.1 | L529 N548 I549 S554 E555 L556 | L529-L552 HydrophobicContact CD1-CB 3.91Å; L529-L552 HydrophobicContact CD2-CB 4.39Å; N548-L552 WeakPolarHBondContact O-CG 3.32Å; N548-L552 PolarHBondContact O-N 2.95Å; N548-L552 VanDerWaalsContact O-N 3.15Å; I549-L552 PolarHBondContact O-N 2.88Å; I549-L552 VanDerWaalsContact O-N 3.15Å; L552-S554 VanDerWaalsContact C-N 3.33Å; L552-S554 PolarHBondContact O-N 3.16Å; L552-E555 PolarHBondContact O-N 3.48Å; L552-L556 PolarHBondContact O-N 3.13Å |
| 553 | L | 88.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.3 | -70.6 | 172.3 | 0 | 0 | 0 | 111.9 | T452 A453 A456 L493 L496 F502 L529 I549 L550 K551 E555 L556 | T452-L553 HydrophobicContact CG2-CD2 4.04Å; A453-L553 VanDerWaalsContact CA-O 3.3Å; A453-L553 WeakPolarHBondContact CA-O 3.22Å; A453-L553 WeakPolarHBondContact CB-O 3.46Å; A456-L553 HydrophobicContact CB-CB 3.89Å; L493-L553 HydrophobicContact CD1-CD1 3.92Å; L496-L553 HydrophobicContact CD2-CD1 3.64Å; F502-L553 HydrophobicContact CZ-CD1 4.09Å; L529-L553 HydrophobicContact CD1-CD2 3.51Å; L529-L553 HydrophobicContact CD1-CG 3.74Å; I549-L553 HydrophobicContact CG2-CD1 3.79Å; I549-L553 HydrophobicContact CG2-CG 4.15Å; I549-L553 WeakPolarHBondContact O-CG 3.25Å; I549-L553 PolarHBondContact O-N 2.8Å; L550-L553 PolarHBondContact O-N 2.82Å; K551-L553 VanDerWaalsContact C-N 3.33Å; K551-L553 PolarHBondContact O-N 3.49Å; L553-E555 VanDerWaalsContact C-N 3.26Å; L553-E555 PolarHBondContact O-N 2.83Å; L553-L556 HydrophobicContact CD2-CD1 3.81Å; L553-L556 PolarHBondContact O-N 3.08Å |
| 554 | S | 87.8 | Confident | 71.2 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.2 | -23.8 | 177.6 | 83.6 | 0 | 0 | 0 | 0 | 113.9 | R457 L550 K551 L552 | R457-S554 VanDerWaalsContact CZ-O 3.27Å; R457-S554 PolarHBondContact NE-O 3.27Å; R457-S554 PolarHBondContact NH2-O 3.15Å; L550-S554 WeakPolarHBondContact O-CB 3.5Å; L550-S554 PolarHBondContact O-N 3.02Å; K551-S554 WeakPolarHBondContact O-CB 3.23Å; K551-S554 PolarHBondContact O-N 2.74Å; K551-S554 VanDerWaalsContact O-N 3.08Å; K551-S554 PolarHBondContact O-OG 2.89Å; L552-S554 VanDerWaalsContact C-N 3.33Å; L552-S554 PolarHBondContact O-N 3.16Å |
| 555 | E | 84.9 | Confident | 68.6 | Low | 94 Ų | 94 | 79.1 Ų | 79.1 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -91.3 | -15.9 | -180 | -71.9 | 175.7 | -169.9 | 0 | 0 | 113.3 | K551 L552 L553 D557 Q558 | K551-E555 WeakPolarHBondContact O-CG 3.21Å; K551-E555 PolarHBondContact O-N 3.39Å; K551-E555 VanDerWaalsContact O-N 3.08Å; L552-E555 PolarHBondContact O-N 3.48Å; L553-E555 VanDerWaalsContact C-N 3.26Å; L553-E555 PolarHBondContact O-N 2.83Å; E555-D557 PolarHBondContact O-N 3.05Å; E555-D557 VanDerWaalsContact O-N 3.1Å; E555-Q558 PolarHBondContact O-N 2.93Å |
| 556 | L | 73 | Confident | 65.6 | Low | 26 Ų | 26 | 85.7 Ų | 85.7 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -53.9 | -33.7 | -178.2 | -77.6 | 177.4 | 0 | 0 | 0 | 114.1 | P527 L552 L553 Q558 | P527-L556 HydrophobicContact CG-CD2 3.78Å; L552-L556 PolarHBondContact O-N 3.13Å; L553-L556 HydrophobicContact CD2-CD1 3.81Å; L553-L556 PolarHBondContact O-N 3.08Å; L556-Q558 VanDerWaalsContact C-N 3.29Å; L556-Q558 PolarHBondContact O-N 2.92Å |
| 557 | D | 61.7 | Low | 62.6 | Low | 47 Ų | 47 | 89 Ų | 89 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -63.4 | -29.8 | 178.7 | 169.1 | 66.6 | 0 | 0 | 0 | 113 | A453 R457 E555 S560 | A453-D557 HydrophobicContact CB-CB 3.73Å; R457-D557 IonicContact CZ-OD2 3.64Å; R457-D557 VanDerWaalsContact CZ-OD2 3.24Å; R457-D557 IonicContact NH1-OD2 2.63Å; R457-D557 PolarHBondContact NH1-OD2 3.33Å; R457-D557 IonicContact NH2-OD2 2.86Å; R457-D557 PolarHBondContact NH2-OD2 2.96Å; E555-D557 PolarHBondContact O-N 3.05Å; E555-D557 VanDerWaalsContact O-N 3.1Å; D557-S560 PolarHBondContact O-OG 3.01Å; D557-S560 VanDerWaalsContact O-OG 3.07Å |
| 558 | Q | 52.9 | Low | 59.6 | Low | 133 Ų | 133 | 95.2 Ų | 95.2 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -80.5 | -23.8 | -176.4 | -65.1 | 177.8 | 17.2 | 0 | 0 | 114.2 | E555 L556 S560 | E555-Q558 PolarHBondContact O-N 2.93Å; L556-Q558 VanDerWaalsContact C-N 3.29Å; L556-Q558 PolarHBondContact O-N 2.92Å; Q558-S560 VanDerWaalsContact C-N 3.25Å; Q558-S560 PolarHBondContact O-N 2.96Å |
| 559 | Q | 44.7 | Very low | 56.5 | Low | 154 Ų | 154 | 95.7 Ų | 95.7 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -76.9 | -10.8 | -178.3 | -67.1 | -174.7 | -0.6 | 0 | 0 | 113.6 | ||
| 560 | S | 40.1 | Very low | 53.7 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 58% | 0.58 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -73.9 | -24.2 | -176.4 | -32.8 | 0 | 0 | 0 | 0 | 114.4 | D557 Q558 | D557-S560 PolarHBondContact O-OG 3.01Å; D557-S560 VanDerWaalsContact O-OG 3.07Å; Q558-S560 VanDerWaalsContact C-N 3.25Å; Q558-S560 PolarHBondContact O-N 2.96Å |
| 561 | T | 36.8 | Very low | 50.9 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 76% | 0.755 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -95.2 | -15.8 | -162.1 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 562 | E | 30.4 | Very low | 48 | Very low | 180 Ų | 180 | 112 Ų | 112 | 84% | 0.841 | 63% | 0.627 | S | S | * | * | trans | -118.5 | 74.7 | -179.1 | -67 | -164.9 | 160.1 | 0 | 0 | 113 | ||||
| 563 | M | 28.9 | Very low | 45.4 | Very low | 164 Ų | 164 | 114.8 Ų | 114.8 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | trans | -119.9 | 106.2 | 164.7 | -86.6 | -86.9 | -80.6 | 0 | 0 | 109.5 | R565 | M563-R565 PolarHBondContact O-N 2.94Š| ||
| 564 | P | 31.2 | Very low | 42.7 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -63.9 | 122.9 | 176.1 | -20.2 | 32.2 | 0 | 0 | 0 | 110.9 | T566 | P564-T566 PolarHBondContact O-N 3.5Š| ||
| 565 | R | 38.8 | Very low | 40 | Very low | 255 Ų | 255 | 123.2 Ų | 123.2 | 96% | 0.962 | 72% | 0.715 | S | S | * | * | trans | -70.3 | 107.6 | 168.6 | -78.5 | -177.7 | 171.2 | 162.2 | -2.6 | 109.9 | M563 | M563-R565 PolarHBondContact O-N 2.94Š| ||
| 566 | T | 32.6 | Very low | 37.7 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -117.2 | 128.2 | 153.8 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | P564 | P564-T566 PolarHBondContact O-N 3.5Š| ||
| 567 | G | 29.8 | Very low | 35.9 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -105.4 | -168.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 568 | N | 31 | Very low | 34.6 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 94% | 0.941 | 83% | 0.826 | S | S | * | * | trans | 83 | 88.4 | 164.8 | -58.5 | -4.1 | 0 | 0 | 0 | 117.9 | ||||
| 569 | G | 28.1 | Very low | 33.7 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | trans | -128.8 | 145.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 570 | P | 34.4 | Very low | 33.1 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -74.2 | 144.7 | -164.7 | 29 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 571 | M | 30.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 91% | 0.906 | 86% | 0.859 | S | S | * | * | trans | -71.7 | 130.8 | 169.5 | -65.5 | -157.9 | -166 | 0 | 0 | 110.6 | ||||
| 572 | S | 30.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 84% | 0.839 | 87% | 0.866 | S | S | * | * | trans | -97.4 | 110.5 | 161 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 573 | V | 36.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 87% | 0.867 | S | S | * | * | trans | -86.1 | 125 | 170.5 | 174.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 574 | C | 31.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 86% | 0.858 | 87% | 0.872 | S | S | * | * | trans | -133.6 | 118.1 | 157.6 | -157.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 575 | G | 32.3 | Very low | 32.9 | Very low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 88% | 0.88 | S | S | * | * | trans | -84.3 | 171.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 576 | R | 36.3 | Very low | 32.4 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 87% | 0.873 | S | S | * | * | trans | -67.9 | 138.4 | 168.5 | -58.6 | 176.5 | -176.3 | -173.6 | -0.3 | 110.3 | ||||
| 577 | C | 35.3 | Very low | 32.4 | Very low | 210 Ų | 210 | 138.9 Ų | 138.9 | 100% | 1.419 | 88% | 0.876 | S | S | * | * | trans | -138 | 0 | 130.6 | -83.4 | 0 | 0 | 0 | 0 | 106.4 |
Retrieved 577 of 577 residues in 308.5 ms
(Link to these results)