| 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 | 34.4 | Very low | 31.3 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 100% | 1.133 | 81% | 0.807 | S | S | * | * | 0 | 163.8 | 0 | -72.4 | 126.8 | 93.4 | 0 | 0 | 109.2 | |||||
| 2 | T | 34.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 36.5 | 107 | 159.2 | 50 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 3 | M | 32.1 | Very low | 31.3 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | 65.2 | 129.1 | 65.4 | -75.8 | -79.4 | -78.4 | 0 | 0 | 116.6 | |||||
| 4 | K | 37.1 | Very low | 31 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | 73.9 | 148 | 169.6 | -52.9 | 164 | -176.8 | 178.6 | 0 | 115.9 | ||||
| 5 | G | 34.3 | Very low | 30.9 | Very low | 67 Ų | 67 | 142.8 Ų | 142.8 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 153 | 146.1 | -16 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | L | 32.2 | Very low | 30.7 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 73.3 | 140.9 | 154.3 | -58.4 | 176.1 | 0 | 0 | 0 | 122.6 | ||||
| 7 | S | 28.3 | Very low | 30.4 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 82.3 | 106.2 | 138.1 | -71.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 8 | N | 26.9 | Very low | 30.2 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | 57.5 | 119.2 | 110.7 | -88 | 13.1 | 0 | 0 | 0 | 123.8 | |||||
| 9 | S | 28.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 91 | 147.7 | 115.5 | -158.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 10 | R | 30 | Very low | 30.7 | Very low | 220 Ų | 220 | 136.8 Ų | 136.8 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 68.7 | 140.6 | 176.1 | -65.5 | -179.8 | 173.1 | -159.6 | -4.7 | 116.2 | ||||
| 11 | S | 27.3 | Very low | 30.5 | Very low | 86 Ų | 86 | 140 Ų | 140 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | cis | 106.3 | 145.1 | 17.5 | -175.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 12 | H | 30.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 61% | 0.606 | 75% | 0.746 | S | S | * | * | trans | 74.8 | 149.4 | 177.4 | -42.5 | -69.2 | 0 | 0 | 0 | 115 | ||||
| 13 | H | 31 | Very low | 29.8 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | cis | -174.8 | 156.4 | -22.5 | -104.4 | -36.8 | 0 | 0 | 0 | 109.4 | ||||
| 14 | T | 27.2 | Very low | 29.7 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | 64.7 | 156.9 | 144.7 | 58.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 15 | V | 29.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | cis | -163.1 | 154.4 | -8.1 | 119.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | T | 27.6 | Very low | 29.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | 30.6 | 138.8 | 161.6 | 64 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 17 | C | 26 | Very low | 29 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | -166.6 | 145.9 | 78.1 | -91.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 18 | D | 27.6 | Very low | 29.1 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -83.8 | 164.5 | 151.2 | -121.4 | -43.1 | 0 | 0 | 0 | 108.2 | ||||
| 19 | P | 41.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | -155.2 | 167.4 | 52.5 | 45 | -24.3 | 0 | 0 | 0 | 119.6 | |||||
| 20 | S | 28.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | 76.9 | 137.7 | 129.4 | -178.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 21 | Y | 27.1 | Very low | 29.5 | Very low | 205 Ų | 205 | 129 Ų | 129 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | 80.4 | 106.7 | 148.7 | -100.9 | -118.9 | 0 | 0 | 0 | 123.3 | ||||
| 22 | D | 26.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | 72.9 | 143 | 110 | -150.2 | 0.5 | 0 | 0 | 0 | 123.6 | |||||
| 23 | S | 26.3 | Very low | 29.4 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | trans | 67.4 | 107.6 | 151.9 | -78 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 24 | M | 31.3 | Very low | 29.5 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 47.1 | 133.9 | 130 | -53 | -168.3 | -70.3 | 0 | 0 | 122.8 | ||||
| 25 | T | 28.9 | Very low | 29.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | 147.7 | 148.7 | 114.6 | 54.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 26 | L | 31.5 | Very low | 29.9 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | trans | 79.2 | 147.6 | 143.6 | -128.4 | 66.4 | 0 | 0 | 0 | 124.6 | ||||
| 27 | G | 27.8 | Very low | 29.9 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | trans | 106.2 | 107 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 28 | H | 29.9 | Very low | 30 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | cis | 63.9 | 136.3 | 27.6 | -112.3 | -62.7 | 0 | 0 | 0 | 113.7 | ||||
| 29 | A | 31.3 | Very low | 30 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | cis | -141.2 | -175.8 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | D | 31.5 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 57% | 0.567 | 74% | 0.742 | S | S | * | * | cis | -145.9 | -154 | 9.9 | -156.8 | 15.1 | 0 | 0 | 0 | 108 | ||||
| 31 | R | 31 | Very low | 29.4 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | -150.2 | -172.6 | 7.6 | -176.8 | 141 | -75.5 | -150.2 | -8.7 | 109 | ||||
| 32 | R | 30.9 | Very low | 29.6 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | trans | -141.4 | 161.3 | -171.7 | -55.9 | -178.5 | -177.8 | -153 | -4.3 | 115.1 | Y34 | R32-Y34 HydrophobicContact CB-CE2 4.49Å; R32-Y34 WeakPolarHBondContact CD-OH 3.37Å; R32-Y34 PolarHBondContact NH1-OH 3.48Å | ||
| 33 | S | 25.3 | Very low | 30.5 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -137.8 | 166 | 143.9 | -73 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 34 | Y | 32 | Very low | 30.7 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 60% | 0.6 | 76% | 0.762 | S | S | * | * | trans | -125 | -175.9 | -174.7 | -55 | -90.7 | 0 | 0 | 0 | 111.6 | R32 | R32-Y34 HydrophobicContact CB-CE2 4.49Å; R32-Y34 WeakPolarHBondContact CD-OH 3.37Å; R32-Y34 PolarHBondContact NH1-OH 3.48Å | ||
| 35 | F | 35.2 | Very low | 30.5 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 77% | 0.768 | 76% | 0.763 | S | S | * | * | cis | -160.2 | 166.3 | 17.8 | -97.3 | -50.6 | 0 | 0 | 0 | 107 | ||||
| 36 | L | 30.5 | Very low | 30.8 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -142 | 180 | -4.3 | -92.2 | 148.4 | 0 | 0 | 0 | 105.9 | ||||
| 37 | N | 27.3 | Very low | 31.4 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | 65.1 | 132.8 | 45.7 | -123 | 11.2 | 0 | 0 | 0 | 114.7 | ||||
| 38 | Q | 28.2 | Very low | 31.3 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | cis | -135.4 | -176 | 11.7 | -64.2 | 169.3 | -48.4 | 0 | 0 | 110 | ||||
| 39 | G | 27.3 | Very low | 31.2 | Very low | 75 Ų | 75 | 143 Ų | 143 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | cis | -176.7 | -171.6 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 40 | E | 31.1 | Very low | 31.1 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 155.7 | -171.9 | -58.4 | 164.9 | 94.8 | 0 | 0 | 115.5 | ||||
| 41 | A | 27 | Very low | 31 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -178 | 139.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 42 | H | 31.6 | Very low | 30.9 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | trans | -117.4 | 173.3 | 152.2 | -88 | -56.6 | 0 | 0 | 0 | 106.8 | ||||
| 43 | P | 45.7 | Very low | 30.6 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -142.7 | -159.9 | 20.8 | 43.1 | -21.8 | 0 | 0 | 0 | 115.5 | ||||
| 44 | T | 30 | Very low | 30.8 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 149 | 163.9 | 37 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 45 | D | 27.3 | Very low | 30.6 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -146.1 | 169.3 | 7.5 | -123.4 | -37.4 | 0 | 0 | 0 | 112.3 | ||||
| 46 | N | 34.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -123.2 | 155.5 | -178 | -120.8 | 13.5 | 0 | 0 | 0 | 111.9 | ||||
| 47 | P | 43.8 | Very low | 30 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -136.6 | 155.1 | 140 | 36.5 | -24.3 | 0 | 0 | 0 | 115.7 | ||||
| 48 | C | 27.1 | Very low | 30 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -10.4 | 150.2 | 168 | -60.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 49 | Y | 26.2 | Very low | 29.8 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -158.5 | 152.2 | 48.4 | -156.9 | -89.5 | 0 | 0 | 0 | 113.8 | ||||
| 50 | T | 29.8 | Very low | 29.8 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -148.4 | 138.1 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 51 | Q | 28.6 | Very low | 29.7 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 179.5 | 159.7 | 166.4 | -104.2 | -179.7 | 9.7 | 0 | 0 | 107.3 | ||||
| 52 | R | 30.2 | Very low | 29.8 | Very low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | cis | -168.9 | 166.2 | -20.9 | -127.5 | -175.2 | 178.4 | 168.1 | -1.3 | 105.4 | ||||
| 53 | S | 24.9 | Very low | 30.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -156.9 | 168.8 | -2.5 | -166 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 54 | A | 29.7 | Very low | 29.7 | Very low | 73 Ų | 73 | 141 Ų | 141 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | trans | -94.1 | 157.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 55 | F | 27 | Very low | 29.7 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | 172.4 | -177.7 | 127.3 | -95.8 | -66 | 0 | 0 | 0 | 112.8 | |||||
| 56 | Q | 26.1 | Very low | 29.8 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -107.2 | -163 | -159.6 | -58.5 | 164.8 | -76.2 | 0 | 0 | 114 | ||||
| 57 | T | 27.2 | Very low | 29.5 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | 92.7 | 130.4 | 156.7 | -48 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 58 | E | 27.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | cis | -153.7 | 172 | 11.5 | -145.1 | 154.1 | -131.4 | 0 | 0 | 113.2 | ||||
| 59 | C | 24.7 | Very low | 29 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | 28.7 | 142.5 | 156.1 | -80.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 60 | S | 25.8 | Very low | 29.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | cis | -169.5 | -171.6 | -2.4 | -153.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 61 | A | 28.9 | Very low | 29.7 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | cis | -157.7 | -165.9 | 7.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 62 | Y | 29.8 | Very low | 29.6 | Very low | 226 Ų | 226 | 133 Ų | 133 | 89% | 0.886 | 72% | 0.715 | S | S | * | * | trans | -123.8 | 174.6 | 167 | -82.5 | -87.7 | 0 | 0 | 0 | 108.9 | ||||
| 63 | P | 46.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | cis | -122.8 | -165.5 | 12.1 | 15.8 | 12 | 0 | 0 | 0 | 112.4 | ||||
| 64 | D | 27.8 | Very low | 29.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | cis | 178.2 | 172 | -29.8 | -177 | 18.2 | 0 | 0 | 0 | 105.5 | ||||
| 65 | L | 31.8 | Very low | 29.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 68.7 | 141.7 | 165.9 | -69.2 | 152.1 | 0 | 0 | 0 | 115.4 | ||||
| 66 | T | 28.9 | Very low | 29.1 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 37% | 0.374 | 72% | 0.715 | S | S | . | * | cis | 177.6 | -169.8 | 12 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | T552 D553 | T66-T552 HydrophobicContact CG2-CG2 4.16Å; T66-T552 WeakPolarHBondContact CG2-O 3.32Å; T66-T552 WeakPolarHBondContact CG2-OG1 3.26Å; T66-T552 VanDerWaalsContact OG1-CB 3.27Å; T66-T552 WeakPolarHBondContact OG1-CB 3.38Å; T66-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T66-T552 PolarHBondContact OG1-OG1 2.86Å; T66-D553 HydrophobicContact CG2-CB 3.54Å; T66-D553 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 67 | S | 27.3 | Very low | 29.1 | Very low | 46 Ų | 46 | 134 Ų | 134 | 32% | 0.322 | 72% | 0.716 | S | S | . | * | trans | -110.6 | -171.6 | -154.9 | -154.8 | 0 | 0 | 0 | 0 | 121.9 | T552 D553 S554 | S67-T552 WeakPolarHBondContact O-CA 3.47Å; S67-T552 PolarHBondContact O-N 3.4Å; S67-D553 WeakPolarHBondContact CB-O 3.47Å; S67-S554 VanDerWaalsContact CB-OG 3.25Å; S67-S554 WeakPolarHBondContact CB-OG 3.38Å; S67-S554 PolarHBondContact OG-OG 3.39Å | ||
| 68 | C | 30.6 | Very low | 29.2 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 48% | 0.48 | 72% | 0.719 | S | S | . | * | trans | 135.8 | 120.8 | 141.7 | -68.7 | 0 | 0 | 0 | 0 | 121.1 | T552 D553 | C68-T552 PolarHBondContact SG-N 3.05Å; C68-T552 VanDerWaalsContact SG-N 3.4Å; C68-D553 PolarHBondContact SG-N 2.75Å; C68-D553 PolarHBondContact SG-O 3.07Å | ||
| 69 | T | 31 | Very low | 29.2 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | trans | 77.1 | 147.5 | 135 | -50.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 70 | F | 34.8 | Very low | 29.4 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -68.9 | 169.3 | -179.2 | -66.2 | -92.5 | 0 | 0 | 0 | 116.5 | ||||
| 71 | P | 34 | Very low | 29.6 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | -134.7 | 175.8 | 111.2 | 39.7 | -32.1 | 0 | 0 | 0 | 115.6 | |||||
| 72 | R | 26.8 | Very low | 29.5 | Very low | 206 Ų | 206 | 143.4 Ų | 143.4 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | trans | -129.8 | 118.2 | -175.7 | 175.8 | -165.4 | -169 | -157.3 | 7.7 | 111.6 | ||||
| 73 | R | 28.6 | Very low | 29.5 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | 53.2 | 137.7 | 165.1 | -63.1 | 178.8 | 175.5 | -172 | -3.4 | 117.3 | ||||
| 74 | H | 25.5 | Very low | 28.9 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | 176 | 153.6 | 100.1 | -103.8 | -79.6 | 0 | 0 | 0 | 115.2 | |||||
| 75 | Y | 23.1 | Very low | 28.9 | Very low | 210 Ų | 210 | 140.3 Ų | 140.3 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | 68.8 | 174 | 156.1 | -91.3 | -78.2 | 0 | 0 | 0 | 120.8 | ||||
| 76 | S | 25.1 | Very low | 28.8 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | trans | -151.3 | 152.4 | -147.1 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 77 | S | 26.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | -160.5 | 159 | 145.2 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 78 | H | 28 | Very low | 29 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 179.5 | 154.9 | -76.1 | -130.5 | 0 | 0 | 0 | 109.1 | ||||
| 79 | H | 26.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -161.2 | 161.9 | 33.6 | -150.1 | -105.9 | 0 | 0 | 0 | 111.8 | ||||
| 80 | E | 29.3 | Very low | 29.7 | Very low | 156 Ų | 156 | 149 Ų | 149 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | trans | 30.9 | 135.6 | 158.9 | -81.4 | 168.8 | 158.1 | 0 | 0 | 123 | ||||
| 81 | L | 29.6 | Very low | 29.3 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | -157.9 | -175.9 | 104.5 | -108.3 | 171.9 | 0 | 0 | 0 | 111.9 | |||||
| 82 | K | 27.3 | Very low | 29.1 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | -137.5 | 162.3 | -153 | -169.5 | -176.3 | 170.5 | -128.3 | 0 | 112.4 | ||||
| 83 | E | 30.3 | Very low | 29 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 66% | 0.659 | 76% | 0.761 | S | S | * | * | trans | 84.8 | 116 | 150.6 | -110.1 | 143.8 | -166.7 | 0 | 0 | 122.2 | ||||
| 84 | E | 33 | Very low | 30 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 111.1 | 147.9 | 120.2 | -117.7 | -159.5 | 124.1 | 0 | 0 | 123.5 | |||||
| 85 | C | 29.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | 66 | 144 | 165 | -82.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 86 | S | 29.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -176 | 149.1 | -17 | -111.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 87 | A | 30 | Very low | 30.9 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 172.6 | 123 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 88 | L | 29.6 | Very low | 31 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 54.7 | 141.3 | 145.5 | -77.2 | 81.8 | 0 | 0 | 0 | 123.7 | ||||
| 89 | V | 28.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -150.6 | 130.6 | 170.4 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | P | 48.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -147.4 | 114.8 | 144.1 | 33.9 | -15 | 0 | 0 | 0 | 116.6 | ||||
| 91 | Y | 26 | Very low | 31.4 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | 31.6 | 125.9 | 126.6 | -116.7 | -103.2 | 0 | 0 | 0 | 122.4 | |||||
| 92 | T | 28.9 | Very low | 31.4 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 173.4 | 153 | 112.8 | 31.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 93 | G | 25.1 | Very low | 31.8 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -117.2 | -148.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 94 | P | 50 | Low | 32 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -142.1 | -140.7 | 0.5 | 43.6 | -21.9 | 0 | 0 | 0 | 113.1 | ||||
| 95 | T | 29.6 | Very low | 31.9 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | 77.7 | 144.4 | 177.6 | 76.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 96 | G | 29.8 | Very low | 32.1 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | 179 | 165 | -5.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | S | 32.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | cis | -136.7 | -143.3 | 3.3 | -160.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 98 | C | 28.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | cis | -149.8 | -149.8 | -0.8 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 99 | K | 34.1 | Very low | 32.7 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -146.5 | 154.5 | 177.2 | -68 | -177 | 178 | 177.7 | 0 | 113.6 | ||||
| 100 | G | 28.5 | Very low | 32.7 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | -158.3 | 144 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 101 | S | 30.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -92.3 | 135.6 | -162.6 | -170.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 102 | G | 30.6 | Very low | 32.1 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 60.8 | 116.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 103 | G | 35.8 | Very low | 32.2 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 132.4 | 124.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 104 | N | 33.9 | Very low | 32.7 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | trans | 79.5 | 108.7 | 144.4 | -52.2 | -7.3 | 0 | 0 | 0 | 121.5 | ||||
| 105 | N | 31.5 | Very low | 31.7 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | 75.1 | 128.5 | 140 | -59.3 | -23.6 | 0 | 0 | 0 | 122.4 | ||||
| 106 | N | 32.3 | Very low | 31.9 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 70.8 | 145.4 | 157.9 | -63.5 | -34 | 0 | 0 | 0 | 116.8 | ||||
| 107 | R | 34.7 | Very low | 32 | Very low | 213 Ų | 213 | 141.1 Ų | 141.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -161.3 | 167.9 | 10.1 | -136.2 | 177.1 | -173 | 166.2 | 0.2 | 111.9 | ||||
| 108 | I | 31.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 79.3 | 143 | 157.6 | -66.4 | 161.1 | 0 | 0 | 0 | 116.3 | ||||
| 109 | P | 35.1 | Very low | 32 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -113.7 | 175.1 | -157.4 | 42 | -30.5 | 0 | 0 | 0 | 115.9 | ||||
| 110 | S | 29 | Very low | 31.9 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -84.1 | 168.9 | 176.8 | 45.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 111 | N | 29.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -129.2 | 153.7 | 170.6 | -141.4 | -17.9 | 0 | 0 | 0 | 109.7 | ||||
| 112 | L | 32.2 | Very low | 32.6 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -96.5 | 159 | -162.6 | -72.2 | 166.9 | 0 | 0 | 0 | 114.9 | ||||
| 113 | L | 31.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -146.7 | 150.7 | 169.9 | -171.3 | 65.4 | 0 | 0 | 0 | 111.4 | ||||
| 114 | E | 34.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 83.1 | 164.2 | 156 | -106 | 175.8 | 153.3 | 0 | 0 | 123.3 | ||||
| 115 | Q | 30.9 | Very low | 32 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 72.6 | 136.9 | -177.6 | -64.5 | -176.1 | -21 | 0 | 0 | 116.1 | ||||
| 116 | F | 32.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | cis | -159.1 | 177.2 | 1.8 | -86 | -47.6 | 0 | 0 | 0 | 108.7 | ||||
| 117 | E | 32.9 | Very low | 32 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | cis | -177.9 | 157.5 | -35.9 | -175.7 | 162.9 | -67.9 | 0 | 0 | 111.5 | ||||
| 118 | T | 30.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | trans | 53.8 | 172 | 162.6 | 45.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 119 | Q | 29 | Very low | 32.1 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | -153.7 | 176.7 | -59.4 | -108.4 | -174.4 | 25.1 | 0 | 0 | 110.5 | |||||
| 120 | A | 32.4 | Very low | 32.6 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -108.7 | 174.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 121 | P | 42.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -162.4 | 152.6 | 104.1 | 40.7 | -19.9 | 0 | 0 | 0 | 122 | |||||
| 122 | L | 31.4 | Very low | 32.8 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 51 | 131.2 | 136.3 | -65 | 167.9 | 0 | 0 | 0 | 128.7 | ||||
| 123 | R | 28.7 | Very low | 32.7 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 63.8 | 174.1 | 149.2 | -83.4 | -68.4 | -153.2 | 151.4 | 10.9 | 118.2 | E125 | R123-E125 IonicContact CZ-OE1 3.64Å; R123-E125 VanDerWaalsContact NH1-CD 3.3Å; R123-E125 IonicContact NH1-OE1 2.75Å; R123-E125 PolarHBondContact NH1-OE1 2.96Å; R123-E125 IonicContact NH2-OE1 2.88Å | ||
| 124 | R | 30.6 | Very low | 32.9 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | cis | -125.6 | -107.1 | 5.8 | -156.5 | -166.3 | 159.6 | 125.1 | 6.6 | 119.8 | ||||
| 125 | E | 27.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 60% | 0.598 | 78% | 0.778 | S | S | * | * | trans | -155.5 | 159.7 | -158.7 | -81.7 | 162.1 | -177.3 | 0 | 0 | 112.7 | R123 | R123-E125 IonicContact CZ-OE1 3.64Å; R123-E125 VanDerWaalsContact NH1-CD 3.3Å; R123-E125 IonicContact NH1-OE1 2.75Å; R123-E125 PolarHBondContact NH1-OE1 2.96Å; R123-E125 IonicContact NH2-OE1 2.88Å | ||
| 126 | G | 30.1 | Very low | 32.7 | Very low | 78 Ų | 78 | 153.9 Ų | 153.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 164.3 | 131.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 127 | Y | 33.8 | Very low | 32.7 | Very low | 225 Ų | 225 | 154.5 Ų | 154.5 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -97.1 | 159.6 | 173.3 | -64.7 | -100.1 | 0 | 0 | 0 | 111.8 | ||||
| 128 | H | 36.4 | Very low | 32.7 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -175.2 | 136.7 | 132.1 | -104.8 | 63 | 0 | 0 | 0 | 115.5 | ||||
| 129 | T | 31.8 | Very low | 33 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | 31.7 | 130.3 | 152 | 56 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 130 | L | 45.3 | Very low | 33.3 | Very low | 154 Ų | 154 | 158.3 Ų | 158.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 144.1 | 157.8 | -65.3 | 160.7 | 0 | 0 | 0 | 112.8 | ||||
| 131 | Q | 34.7 | Very low | 33.9 | Very low | 202 Ų | 202 | 165.2 Ų | 165.2 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -147.9 | 169.2 | 141.1 | -76.5 | -147.3 | 6.3 | 0 | 0 | 110.8 | ||||
| 132 | Y | 28.5 | Very low | 33.6 | Very low | 192 Ų | 192 | 162.8 Ų | 162.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -125.3 | 170.8 | -152.7 | -114.1 | -92.4 | 0 | 0 | 0 | 114.6 | ||||
| 133 | K | 29.7 | Very low | 34.6 | Very low | 186 Ų | 186 | 161.2 Ų | 161.2 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | 85 | 113.9 | 166.9 | -49.5 | -168 | -177.6 | 179.2 | 0 | 115.5 | ||||
| 134 | H | 36.9 | Very low | 35.5 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | 81.1 | 98.8 | 56.5 | -76.3 | -72.7 | 0 | 0 | 0 | 114.3 | |||||
| 135 | T | 30.4 | Very low | 36.8 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -127.5 | 155.1 | 141.1 | 50.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 136 | A | 31.1 | Very low | 38.7 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | trans | -113.1 | 146.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 137 | L | 31.1 | Very low | 40.5 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | trans | -135 | 107.5 | 147.3 | -167 | 74 | 0 | 0 | 0 | 107 | H139 | L137-H139 PolarHBondContact O-N 3.41Š| ||
| 138 | E | 34.1 | Very low | 42.3 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | trans | -69.5 | 130.1 | -169.6 | -66.4 | -168.1 | 123.2 | 0 | 0 | 112.3 | ||||
| 139 | H | 36.6 | Very low | 44.1 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -71.4 | 136.9 | 159.8 | -68.3 | 30.8 | 0 | 0 | 0 | 108.4 | L137 R141 | L137-H139 PolarHBondContact O-N 3.41Å; H139-R141 PolarHBondContact O-N 3.21Å | ||
| 140 | Q | 34.5 | Very low | 46.2 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -71.6 | 72.6 | 168.1 | -74.7 | -159.5 | 13.7 | 0 | 0 | 111.9 | S142 | Q140-S142 PolarHBondContact O-N 3.2Š| ||
| 141 | R | 45.2 | Very low | 48 | Very low | 238 Ų | 238 | 142.5 Ų | 142.5 | 90% | 0.898 | 70% | 0.696 | S | S | * | * | trans | -79.6 | 74.1 | 147.9 | -80.7 | -171.2 | 167.1 | 121 | -2.1 | 108.3 | H139 | H139-R141 PolarHBondContact O-N 3.21Š| ||
| 142 | S | 36.9 | Very low | 50.3 | Low | 66 Ų | 66 | 136.5 Ų | 136.5 | 46% | 0.462 | 67% | 0.673 | S | S | . | * | trans | -105.5 | 43.9 | 179.2 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | Q140 S144 | Q140-S142 PolarHBondContact O-N 3.2Å; S142-S144 PolarHBondContact O-N 2.9Å; S142-S144 PolarHBondContact O-OG 3.36Å | ||
| 143 | D | 52.3 | Low | 52.5 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | trans | -70.7 | 82.7 | 169.3 | -160.3 | 7.1 | 0 | 0 | 0 | 109.1 | ||||
| 144 | S | 47 | Very low | 54.9 | Low | 52 Ų | 52 | 126.8 Ų | 126.8 | 36% | 0.364 | 65% | 0.645 | S | S | . | * | trans | -82.4 | 136.9 | -153.9 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | S142 G146 R147 | S142-S144 PolarHBondContact O-N 2.9Å; S142-S144 PolarHBondContact O-OG 3.36Å; S144-G146 CarbonylContact O-C 3.59Å; S144-G146 PolarHBondContact O-N 3.47Å; S144-R147 WeakPolarHBondContact O-CB 3.31Å; S144-R147 PolarHBondContact O-N 3.49Å | ||
| 145 | P | 58.4 | Low | 57 | Low | 90 Ų | 90 | 122 Ų | 122 | 58% | 0.584 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56.4 | -17.5 | 169.7 | -27.1 | 35.4 | 0 | 0 | 0 | 113.6 | R149 | P145-R149 VanDerWaalsContact O-CB 3.31Å; P145-R149 WeakPolarHBondContact O-CB 3.18Å; P145-R149 VanDerWaalsContact O-CG 3.23Å; P145-R149 WeakPolarHBondContact O-CG 3.37Å; P145-R149 PolarHBondContact O-N 2.87Å; P145-R149 VanDerWaalsContact O-N 3.15Å; P145-R149 PolarHBondContact O-NE 3.43Å |
| 146 | G | 67.1 | Low | 59.2 | Low | 20 Ų | 20 | 120.8 Ų | 120.8 | 21% | 0.206 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -63.1 | -44.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S144 R149 H150 | S144-G146 CarbonylContact O-C 3.59Å; S144-G146 PolarHBondContact O-N 3.47Å; G146-R149 CarbonylContact O-C 3.59Å; G146-R149 PolarHBondContact O-N 3.37Å; G146-H150 WeakPolarHBondContact O-CB 3.34Å; G146-H150 PolarHBondContact O-CD2 2.97Å; G146-H150 PolarHBondContact O-N 3.21Å |
| 147 | R | 68.4 | Low | 61.1 | Low | 185 Ų | 185 | 122.5 Ų | 122.5 | 70% | 0.698 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.7 | -43.3 | -177 | -148.5 | 176.9 | -166.4 | -177.7 | 4.1 | 111.7 | S144 H150 L151 | S144-R147 WeakPolarHBondContact O-CB 3.31Å; S144-R147 PolarHBondContact O-N 3.49Å; R147-H150 PolarHBondContact O-N 3.36Å; R147-L151 WeakPolarHBondContact O-CB 3.21Å; R147-L151 PolarHBondContact O-N 2.96Å |
| 148 | I | 70.9 | Confident | 62.9 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 52% | 0.523 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.8 | -45 | 172.3 | -59.8 | 175.7 | 0 | 0 | 0 | 110.6 | H150 L151 V152 | I148-H150 VanDerWaalsContact C-N 3.35Å; I148-H150 PolarHBondContact O-N 3.41Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.46Å |
| 149 | R | 75.9 | Confident | 64.3 | Low | 172 Ų | 172 | 118.8 Ų | 118.8 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.9 | -37.7 | 175 | -78.4 | 179.4 | -67.9 | 175.3 | 0.7 | 112.9 | P145 G146 H153 | P145-R149 VanDerWaalsContact O-CB 3.31Å; P145-R149 WeakPolarHBondContact O-CB 3.18Å; P145-R149 VanDerWaalsContact O-CG 3.23Å; P145-R149 WeakPolarHBondContact O-CG 3.37Å; P145-R149 PolarHBondContact O-N 2.87Å; P145-R149 VanDerWaalsContact O-N 3.15Å; P145-R149 PolarHBondContact O-NE 3.43Å; G146-R149 CarbonylContact O-C 3.59Å; G146-R149 PolarHBondContact O-N 3.37Å; R149-H153 WeakPolarHBondContact O-CB 3.35Å; R149-H153 PolarHBondContact O-N 3.05Å |
| 150 | H | 74.8 | Confident | 65.2 | Low | 134 Ų | 134 | 115.3 Ų | 115.3 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.4 | -36.6 | 174.7 | -72 | -56.7 | 0 | 0 | 0 | 112.2 | G146 R147 I148 S154 | G146-H150 WeakPolarHBondContact O-CB 3.34Å; G146-H150 PolarHBondContact O-CD2 2.97Å; G146-H150 PolarHBondContact O-N 3.21Å; R147-H150 PolarHBondContact O-N 3.36Å; I148-H150 VanDerWaalsContact C-N 3.35Å; I148-H150 PolarHBondContact O-N 3.41Å; H150-S154 VanDerWaalsContact O-CB 3.24Å; H150-S154 WeakPolarHBondContact O-CB 3.09Å; H150-S154 PolarHBondContact O-N 2.91Å; H150-S154 PolarHBondContact O-OG 3.44Å |
| 151 | L | 83.3 | Confident | 65.8 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -51.8 | 173.6 | -172.2 | 67 | 0 | 0 | 0 | 110.7 | R147 I148 H153 S154 V155 | R147-L151 WeakPolarHBondContact O-CB 3.21Å; R147-L151 PolarHBondContact O-N 2.96Å; I148-L151 PolarHBondContact O-N 2.89Å; L151-H153 PolarHBondContact O-N 3.46Å; L151-S154 PolarHBondContact O-N 2.91Å; L151-S154 VanDerWaalsContact O-N 3.13Å; L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.16Å |
| 152 | V | 83 | Confident | 65.8 | Low | 77 Ų | 77 | 108 Ų | 108 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.5 | -46.9 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | I148 S154 V155 Q156 | I148-V152 HydrophobicContact CG2-CG2 4.38Å; I148-V152 WeakPolarHBondContact O-CG2 3.34Å; I148-V152 PolarHBondContact O-N 3.46Å; V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.31Å; V152-V155 PolarHBondContact O-N 3.36Å; V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 PolarHBondContact O-N 3.11Å |
| 153 | H | 74.8 | Confident | 66.1 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 51% | 0.505 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.6 | -27.9 | 179.1 | -162.1 | -22 | 0 | 0 | 0 | 112.6 | R149 L151 K157 | R149-H153 WeakPolarHBondContact O-CB 3.35Å; R149-H153 PolarHBondContact O-N 3.05Å; L151-H153 PolarHBondContact O-N 3.46Å; H153-K157 WeakPolarHBondContact O-CB 3.47Å; H153-K157 WeakPolarHBondContact O-CG 3.37Å; H153-K157 PolarHBondContact O-N 3.1Å |
| 154 | S | 80.1 | Confident | 65.8 | Low | 65 Ų | 65 | 111.2 Ų | 111.2 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -76.2 | -44.2 | 174.7 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | H150 L151 V152 Q156 K157 L158 | H150-S154 VanDerWaalsContact O-CB 3.24Å; H150-S154 WeakPolarHBondContact O-CB 3.09Å; H150-S154 PolarHBondContact O-N 2.91Å; H150-S154 PolarHBondContact O-OG 3.44Å; L151-S154 PolarHBondContact O-N 2.91Å; L151-S154 VanDerWaalsContact O-N 3.13Å; V152-S154 VanDerWaalsContact C-N 3.29Å; V152-S154 PolarHBondContact O-N 3.31Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact O-N 2.99Å; S154-K157 WeakPolarHBondContact O-CB 3.2Å; S154-K157 PolarHBondContact O-N 3.27Å; S154-L158 PolarHBondContact O-N 2.81Å |
| 155 | V | 81.5 | Confident | 65.8 | Low | 66 Ų | 66 | 116.9 Ų | 116.9 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.6 | -43.4 | 171.4 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L151 V152 K157 L158 F159 | L151-V155 WeakPolarHBondContact O-CG2 3.32Å; L151-V155 PolarHBondContact O-N 3.16Å; V152-V155 PolarHBondContact O-N 3.36Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.81Å; V155-L158 WeakPolarHBondContact O-CB 3.3Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.11Å; V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.87Å; V155-F159 WeakPolarHBondContact O-CD2 3.42Å; V155-F159 PolarHBondContact O-N 3.13Å |
| 156 | Q | 76.7 | Confident | 64.9 | Low | 124 Ų | 124 | 122 Ų | 122 | 58% | 0.579 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.6 | -24.4 | 178.4 | -158.2 | 161.3 | 15 | 0 | 0 | 112.9 | V152 S154 T160 | V152-Q156 WeakPolarHBondContact O-CB 3.45Å; V152-Q156 PolarHBondContact O-N 3.11Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; S154-Q156 PolarHBondContact O-N 2.99Å; Q156-T160 WeakPolarHBondContact O-CB 3.49Å; Q156-T160 WeakPolarHBondContact O-CG2 3.28Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 VanDerWaalsContact O-N 3.1Å; Q156-T160 PolarHBondContact O-OG1 3.33Å |
| 157 | K | 70.4 | Confident | 63.2 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.4 | -38.5 | 164.6 | -85 | 176.6 | 176.2 | 178.8 | 0 | 112.1 | H153 S154 V155 T160 K161 | H153-K157 WeakPolarHBondContact O-CB 3.47Å; H153-K157 WeakPolarHBondContact O-CG 3.37Å; H153-K157 PolarHBondContact O-N 3.1Å; S154-K157 WeakPolarHBondContact O-CB 3.2Å; S154-K157 PolarHBondContact O-N 3.27Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.81Å; K157-T160 WeakPolarHBondContact CA-OG1 3.42Å; K157-T160 PolarHBondContact O-N 3.36Å; K157-T160 PolarHBondContact O-OG1 2.66Å; K157-K161 WeakPolarHBondContact O-CB 3.41Å; K157-K161 PolarHBondContact O-N 3.2Å |
| 158 | L | 69.8 | Low | 61.9 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -49.9 | 173.7 | -82.4 | 153.5 | 0 | 0 | 0 | 111.3 | S154 V155 T160 K161 S162 | S154-L158 PolarHBondContact O-N 2.81Å; V155-L158 WeakPolarHBondContact O-CB 3.3Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.11Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.81Å; L158-K161 PolarHBondContact O-N 2.7Å; L158-S162 PolarHBondContact O-N 3Å; L158-S162 PolarHBondContact O-OG 2.98Å |
| 159 | F | 62.9 | Low | 60.4 | Low | 148 Ų | 148 | 122.8 Ų | 122.8 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.7 | -21.2 | 178 | -83.8 | -75.6 | 0 | 0 | 0 | 114.9 | V155 S162 | V155-F159 HydrophobicContact CG1-CD2 3.75Å; V155-F159 HydrophobicContact CG1-CE2 3.87Å; V155-F159 WeakPolarHBondContact O-CD2 3.42Å; V155-F159 PolarHBondContact O-N 3.13Å; F159-S162 PolarHBondContact O-OG 3.28Å |
| 160 | T | 55.4 | Low | 58.3 | Low | 93 Ų | 93 | 118.2 Ų | 118.2 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.7 | -29.7 | 170.7 | 46.5 | 0 | 0 | 0 | 0 | 112.7 | Q156 K157 L158 | Q156-T160 WeakPolarHBondContact O-CB 3.49Å; Q156-T160 WeakPolarHBondContact O-CG2 3.28Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 VanDerWaalsContact O-N 3.1Å; Q156-T160 PolarHBondContact O-OG1 3.33Å; K157-T160 WeakPolarHBondContact CA-OG1 3.42Å; K157-T160 PolarHBondContact O-N 3.36Å; K157-T160 PolarHBondContact O-OG1 2.66Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.81Å |
| 161 | K | 46.5 | Very low | 56.5 | Low | 177 Ų | 177 | 118.4 Ų | 118.4 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.3 | -30.1 | 176.3 | -164.6 | 176.5 | -178.3 | -172.2 | 0 | 113 | K157 L158 H163 | K157-K161 WeakPolarHBondContact O-CB 3.41Å; K157-K161 PolarHBondContact O-N 3.2Å; L158-K161 PolarHBondContact O-N 2.7Å; K161-H163 VanDerWaalsContact C-N 3.28Å; K161-H163 PolarHBondContact O-N 2.92Å |
| 162 | S | 45.4 | Very low | 54.1 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -13.8 | 176.4 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | L158 F159 | L158-S162 PolarHBondContact O-N 3Å; L158-S162 PolarHBondContact O-OG 2.98Å; F159-S162 PolarHBondContact O-OG 3.28Å |
| 163 | H | 44.4 | Very low | 51.5 | Low | 175 Ų | 175 | 116.5 Ų | 116.5 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 12.4 | 179.3 | -113.9 | -42.1 | 0 | 0 | 0 | 114.5 | K161 | K161-H163 VanDerWaalsContact C-N 3.28Å; K161-H163 PolarHBondContact O-N 2.92Å |
| 164 | S | 46 | Very low | 49.3 | Very low | 89 Ų | 89 | 115.6 Ų | 115.6 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -122.2 | 28.6 | -164.7 | -167.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 165 | L | 46.2 | Very low | 47.1 | Very low | 170 Ų | 170 | 116.3 Ų | 116.3 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | trans | -136.8 | 78.5 | 171.2 | -74.8 | 177.6 | 0 | 0 | 0 | 111.5 | ||||
| 166 | E | 38.5 | Very low | 44.8 | Very low | 198 Ų | 198 | 119.3 Ų | 119.3 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -170.7 | 110.8 | 144.1 | -162.6 | 65.5 | -101.8 | 0 | 0 | 107.6 | ||||
| 167 | G | 32.4 | Very low | 42.6 | Very low | 64 Ų | 64 | 116.3 Ų | 116.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 173.5 | 132.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | P | 41.3 | Very low | 40.9 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -83.3 | 156.2 | -155.6 | 31.8 | -37.5 | 0 | 0 | 0 | 115.3 | ||||
| 169 | S | 38.6 | Very low | 39.2 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -65 | 131.6 | 164.1 | 40.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 170 | G | 33.4 | Very low | 37.8 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | -161.2 | 116 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 171 | S | 36.7 | Very low | 36.6 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -71.1 | 147.6 | -170.4 | -175.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 172 | G | 31.3 | Very low | 35.8 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 130.6 | 136.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 173 | G | 29 | Very low | 35.1 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | cis | 162.8 | 111.9 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 174 | G | 29.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | trans | 79.4 | 149.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 175 | G | 34 | Very low | 33.5 | Very low | 80 Ų | 80 | 121.4 Ų | 121.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | 152.7 | 155.1 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 176 | S | 33.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 118 Ų | 118 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | cis | -156.9 | -172.6 | -4.8 | 71.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 177 | G | 29.9 | Very low | 32.7 | Very low | 61 Ų | 61 | 115.5 Ų | 115.5 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | cis | 164.7 | -160.6 | 10.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 178 | K | 35.1 | Very low | 32.7 | Very low | 211 Ų | 211 | 119.8 Ų | 119.8 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | 71.9 | 146.3 | 179.3 | -65.5 | -176.9 | 175.2 | 178.4 | 0 | 115.2 | ||||
| 179 | I | 33.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 118.6 Ų | 118.6 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | cis | -136.4 | 169.7 | 9.7 | 43.8 | 173 | 0 | 0 | 0 | 113.7 | ||||
| 180 | N | 33.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 118 Ų | 118 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -32.1 | 162.2 | 172.7 | -49.7 | -10 | 0 | 0 | 0 | 119.5 | ||||
| 181 | G | 29.2 | Very low | 33.4 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 156 | 179.5 | -7.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 182 | S | 29.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 84 | 125.1 | 160.9 | 69.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 183 | K | 30 | Very low | 33 | Very low | 199 Ų | 199 | 120.3 Ų | 120.3 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 69.5 | 146.9 | 151 | -64.5 | 172.2 | -178.2 | 180 | 0 | 120.7 | ||||
| 184 | S | 29.3 | Very low | 32.8 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -176.3 | 134.5 | -20.6 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 185 | S | 28.1 | Very low | 32.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 166 | 148.7 | -67.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 186 | P | 43 | Very low | 32.8 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | cis | -140.7 | 155.5 | -37.2 | 37.6 | -20.4 | 0 | 0 | 0 | 117 | ||||
| 187 | D | 25.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 39 | 125.1 | 128.6 | -41.4 | -32.4 | 0 | 0 | 0 | 121.8 | |||||
| 188 | D | 33.2 | Very low | 32.5 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | 72.2 | -174.4 | 83.6 | -110.7 | -32.7 | 0 | 0 | 0 | 113.2 | |||||
| 189 | P | 44.9 | Very low | 32 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -133 | -128.9 | 0.6 | 41.7 | -18.6 | 0 | 0 | 0 | 110.6 | ||||
| 190 | P | 52.9 | Low | 32 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -120.7 | -164.3 | -37.9 | 37.8 | -18 | 0 | 0 | 0 | 111.3 | ||||
| 191 | S | 29.8 | Very low | 32 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -175 | 178.5 | 28.3 | -139.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 192 | C | 31.5 | Very low | 32 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | cis | -159.6 | 156.9 | -1.6 | -166.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 193 | S | 27.1 | Very low | 32 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -153.5 | 106.7 | 143 | -172 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 194 | G | 26.3 | Very low | 31.9 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -178.8 | 117.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 195 | T | 30.9 | Very low | 32 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -76.2 | 156 | -162.8 | 52.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 196 | L | 30.5 | Very low | 32.1 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | 94.5 | 123 | 141.7 | -82.1 | 158.7 | 0 | 0 | 0 | 122.3 | ||||
| 197 | K | 29.3 | Very low | 31.8 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | 93.8 | 103.2 | 146.9 | -65.8 | 176.9 | -179.4 | 180 | 0 | 122.1 | ||||
| 198 | H | 28.8 | Very low | 32 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | trans | 80.5 | 115.1 | 131.5 | -83.6 | -96.3 | 0 | 0 | 0 | 124.1 | ||||
| 199 | S | 25.1 | Very low | 32 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 105.1 | 105.1 | 123.5 | -162.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 200 | K | 33.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | 51.8 | 142.9 | 126.8 | -63 | 171.4 | -176.5 | 173.4 | 0 | 119.8 | |||||
| 201 | R | 32.7 | Very low | 29.9 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | cis | 176.3 | 159.1 | 5.6 | 160.4 | -174.6 | -155.4 | -176 | 12.4 | 112 | ||||
| 202 | N | 29.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 76.5 | 165.2 | 163 | -78.1 | -2.9 | 0 | 0 | 0 | 120.7 | ||||
| 203 | K | 30.6 | Very low | 30 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | cis | 176.3 | 151.8 | -36.1 | -172.6 | 172.5 | 178.7 | 179.9 | 0 | 112.1 | ||||
| 204 | S | 28.1 | Very low | 30.1 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 80.1 | 158 | 153.4 | 139 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 205 | K | 31.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 159 Ų | 159 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | 178.4 | 146.9 | -20.5 | 174.3 | 177.4 | 163.4 | -178.5 | 0 | 112.4 | ||||
| 206 | D | 29.1 | Very low | 30 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | trans | 62.5 | 136.1 | 161 | -79.5 | -25 | 0 | 0 | 0 | 121.7 | ||||
| 207 | R | 36.2 | Very low | 30 | Very low | 221 Ų | 221 | 158.6 Ų | 158.6 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | 72.1 | 150.9 | 92.4 | -59.8 | 175.7 | -174.6 | -161.9 | -6.6 | 115.7 | |||||
| 208 | S | 30.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | cis | -159.8 | -177.8 | 8.7 | 20.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 209 | K | 32.9 | Very low | 30.2 | Very low | 204 Ų | 204 | 154 Ų | 154 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -81 | 154.7 | -179.8 | -52.7 | 174.9 | 177 | -178.4 | 0 | 115.3 | ||||
| 210 | S | 30.1 | Very low | 30.5 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | 177 | 157.1 | 125.6 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 211 | E | 23.3 | Very low | 30.3 | Very low | 166 Ų | 166 | 154.8 Ų | 154.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -87 | -171.9 | 166 | -113.7 | -155.8 | 118.5 | 0 | 0 | 111.4 | ||||
| 212 | P | 36.2 | Very low | 30.2 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -145.8 | 162.9 | 17.5 | 42.2 | -21.7 | 0 | 0 | 0 | 120.9 | ||||
| 213 | K | 28.6 | Very low | 30 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | 39.3 | 155.7 | 136 | -141 | 157.7 | -171.7 | 165.9 | 0 | 126.2 | ||||
| 214 | M | 28.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | trans | 86.6 | 142.9 | 174 | -51.5 | -60.7 | 178.2 | 0 | 0 | 115.5 | ||||
| 215 | R | 28.6 | Very low | 30.2 | Very low | 240 Ų | 240 | 152.6 Ų | 152.6 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | cis | -146 | 176.2 | 8 | -139.7 | 174.4 | -168.8 | 163.2 | 2.2 | 111 | ||||
| 216 | T | 27 | Very low | 30.2 | Very low | 132 Ų | 132 | 151.2 Ų | 151.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -105.2 | 148.8 | -161.1 | 47.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 217 | T | 29.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -150.3 | 144.6 | 144.4 | 18.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 218 | T | 32.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 44.7 | 89.1 | 169.8 | 54.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 219 | S | 29.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | 81.5 | 116.4 | 76.4 | -174 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 220 | G | 32.1 | Very low | 30.2 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | 132.9 | 119.9 | -18.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 221 | Y | 28.8 | Very low | 30.2 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -165.1 | 168 | 138.6 | -154.7 | -107.3 | 0 | 0 | 0 | 110.4 | ||||
| 222 | W | 30.7 | Very low | 30.4 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -132.1 | 167.2 | -174.2 | -94.5 | 79 | 0 | 0 | 0 | 113.8 | ||||
| 223 | S | 26.3 | Very low | 30.1 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -42.7 | 145.9 | 161.2 | 176.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | S | 28 | Very low | 30.1 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 173.2 | 157.4 | 117.8 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 225 | D | 34.3 | Very low | 30 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -53.8 | 150.8 | 146.1 | -71.3 | -91.6 | 0 | 0 | 0 | 109.4 | ||||
| 226 | D | 32.7 | Very low | 30 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | -172.8 | 173.5 | 70.4 | -150.9 | -23.6 | 0 | 0 | 0 | 112.3 | |||||
| 227 | T | 31.1 | Very low | 30 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 63% | 0.632 | 77% | 0.772 | S | S | * | * | trans | 59.8 | 113.2 | 157.6 | 53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 228 | L | 34.8 | Very low | 29.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 70.2 | 143.2 | 121.4 | -61.4 | 175.3 | 0 | 0 | 0 | 124 | |||||
| 229 | D | 28.7 | Very low | 29.8 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | 76 | 158.8 | 146.7 | -136.2 | 1.9 | 0 | 0 | 0 | 120.2 | ||||
| 230 | G | 32.8 | Very low | 29.8 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 129.5 | 65.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 231 | E | 30.2 | Very low | 29.7 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -42.9 | 147 | 167.4 | -75.6 | -108.8 | 115.8 | 0 | 0 | 118 | ||||
| 232 | V | 27.6 | Very low | 29.7 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | trans | 65.4 | 110.9 | 133.2 | 176.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 233 | C | 29.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | 63.1 | 161 | 148.7 | -63.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 234 | L | 29.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | cis | -143.8 | 152.8 | 24.6 | -96.9 | 92.2 | 0 | 0 | 0 | 113.5 | ||||
| 235 | Y | 26.8 | Very low | 30.1 | Very low | 189 Ų | 189 | 130 Ų | 130 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 58.6 | 121 | 139.5 | -82.6 | -123.5 | 0 | 0 | 0 | 123.3 | ||||
| 236 | H | 27.6 | Very low | 30 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | 85.8 | 101.6 | 126.5 | -85.1 | 53.6 | 0 | 0 | 0 | 122.6 | |||||
| 237 | H | 27.1 | Very low | 30.4 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 102.7 | 163.9 | 111.4 | -142 | 55.1 | 0 | 0 | 0 | 118.9 | |||||
| 238 | H | 28.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 61% | 0.606 | 78% | 0.78 | S | S | * | * | trans | 67.9 | 102.2 | -179.4 | -75.2 | -89.7 | 0 | 0 | 0 | 120.2 | ||||
| 239 | Q | 29.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | 59.7 | 136.5 | 124.8 | -65.6 | 166.9 | -28.6 | 0 | 0 | 120.7 | |||||
| 240 | G | 29.2 | Very low | 30.4 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 177.1 | -55.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 241 | G | 29.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | 71.9 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 242 | G | 29.6 | Very low | 30.5 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 111 | 76.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 243 | I | 30.7 | Very low | 30.6 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 92% | 0.923 | 80% | 0.795 | S | S | * | * | trans | 23.2 | 122 | 137.9 | -56.8 | 172.1 | 0 | 0 | 0 | 118.3 | ||||
| 244 | G | 30.5 | Very low | 30.6 | Very low | 74 Ų | 74 | 130.6 Ų | 130.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 17.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 245 | S | 31.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | 60.5 | 124.5 | 161 | 177.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 246 | M | 32.1 | Very low | 30.6 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -129.2 | 158.3 | 148 | -101 | -163.8 | 78.6 | 0 | 0 | 110.9 | ||||
| 247 | P | 42.1 | Very low | 31.7 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | trans | -105 | 155.6 | -159.3 | 38.8 | -35.7 | 0 | 0 | 0 | 117.6 | ||||
| 248 | S | 31.9 | Very low | 31.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 42.6 | 115.8 | 146.1 | -164.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 249 | G | 31.8 | Very low | 31.8 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -69.2 | -173.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 250 | V | 31.4 | Very low | 32 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -128.1 | 155 | 179 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 251 | M | 29.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | trans | -101.3 | 164.9 | -170.5 | -87.3 | -170.5 | 169.3 | 0 | 0 | 116.2 | ||||
| 252 | T | 34.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -63.4 | 142.1 | -173.9 | -46.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 253 | I | 29.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -14.9 | 145.9 | 146 | -64.7 | 155.4 | 0 | 0 | 0 | 117.4 | ||||
| 254 | G | 29.5 | Very low | 31.3 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 176.4 | 120.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 255 | R | 29.1 | Very low | 31 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -97.8 | 151.1 | -175.4 | -61.2 | -175.7 | -177.8 | -145.7 | 2.2 | 114.2 | ||||
| 256 | H | 26.8 | Very low | 30.7 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | trans | -6.1 | 158.4 | 139.2 | -156.2 | -110.3 | 0 | 0 | 0 | 118.1 | ||||
| 257 | P | 52.3 | Low | 30.6 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | cis | -89.6 | -157.7 | 11.5 | -15.7 | 37.6 | 0 | 0 | 0 | 117.6 | ||||
| 258 | D | 28 | Very low | 29.8 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | cis | -164.7 | 169.3 | 8.5 | -124.4 | -6.2 | 0 | 0 | 0 | 108.7 | ||||
| 259 | K | 30 | Very low | 29.7 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | cis | -149.7 | 160.8 | -2.5 | -91.7 | -147.9 | 178.3 | -168 | 0 | 112.8 | ||||
| 260 | S | 32.7 | Very low | 29.6 | Very low | 101 Ų | 101 | 152.4 Ų | 152.4 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 45.9 | 111.5 | 147.8 | 65.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 261 | Q | 26 | Very low | 29.6 | Very low | 198 Ų | 198 | 151 Ų | 151 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | 74.2 | 122.4 | 140.9 | -70 | -167.9 | -7.8 | 0 | 0 | 123.2 | ||||
| 262 | S | 25.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | 113.1 | 97.4 | 127.9 | -167.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 263 | Q | 27.6 | Very low | 29.6 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | 89.2 | 126.4 | 135.7 | -75.1 | -172.5 | 29 | 0 | 0 | 123.6 | ||||
| 264 | Y | 25.5 | Very low | 29.6 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 56.3 | 92.4 | 146.7 | -68.4 | -66.4 | 0 | 0 | 0 | 122.1 | ||||
| 265 | F | 24.6 | Very low | 29.5 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | 16.1 | 117.4 | 118.7 | -160.2 | -87.7 | 0 | 0 | 0 | 118.7 | E267 | F265-E267 HydrophobicContact CE1-CB 4.28Å; F265-E267 HydrophobicContact CZ-CB 4Å; F265-E267 WeakPolarHBondContact CZ-OE2 3.43Å | |||
| 266 | M | 25.7 | Very low | 29.5 | Very low | 179 Ų | 179 | 145 Ų | 145 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | -149.8 | 147.6 | 124 | -166.6 | 148.8 | -75.7 | 0 | 0 | 110.3 | |||||
| 267 | E | 28.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 54% | 0.542 | 77% | 0.767 | S | S | . | * | trans | -115.9 | 142.6 | -167.6 | 179.2 | 170.2 | -153.2 | 0 | 0 | 110.9 | F265 Y269 | F265-E267 HydrophobicContact CE1-CB 4.28Å; F265-E267 HydrophobicContact CZ-CB 4Å; F265-E267 WeakPolarHBondContact CZ-OE2 3.43Å; E267-Y269 HydrophobicContact CG-CD2 4.43Å; E267-Y269 HydrophobicContact CG-CE2 4.45Å; E267-Y269 WeakPolarHBondContact OE1-CE2 3.43Å | ||
| 268 | S | 27 | Very low | 28.6 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -156 | 99.6 | 172.9 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 269 | Y | 28.6 | Very low | 28.5 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -65.2 | 146.9 | 168.2 | -80 | -94.8 | 0 | 0 | 0 | 111.4 | E267 | E267-Y269 HydrophobicContact CG-CD2 4.43Å; E267-Y269 HydrophobicContact CG-CE2 4.45Å; E267-Y269 WeakPolarHBondContact OE1-CE2 3.43Å | ||
| 270 | N | 29.2 | Very low | 28.3 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -146.6 | 120.9 | 154.3 | -96.3 | -74.9 | 0 | 0 | 0 | 109.2 | ||||
| 271 | T | 33.3 | Very low | 28.3 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -82.1 | 155.1 | 170 | 51 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 272 | I | 31.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | 178.3 | 139.6 | 139.6 | -96.1 | 155.7 | 0 | 0 | 0 | 112 | ||||
| 273 | S | 31 | Very low | 28.8 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 11.1 | 135.4 | 166.7 | 67.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 274 | A | 30.1 | Very low | 29.1 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -88.8 | 147.2 | 155 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 275 | Q | 28.2 | Very low | 29.2 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 97% | 0.967 | 78% | 0.776 | S | S | * | * | trans | -163 | 146.1 | 144.2 | -111.9 | 173.6 | 39.5 | 0 | 0 | 112.9 | ||||
| 276 | S | 28.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 158.7 | -166 | -47.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 277 | L | 31.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 144 Ų | 144 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -160.7 | 123.8 | 132.8 | -82.5 | -174.1 | 0 | 0 | 0 | 107.7 | ||||
| 278 | K | 29.1 | Very low | 29.7 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | 62.1 | 130.6 | 80.1 | -72.8 | -173.2 | -175.2 | 173.6 | 0 | 113.3 | |||||
| 279 | T | 26.4 | Very low | 29.7 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -163.8 | 163.1 | 6.1 | 45.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 280 | S | 25.8 | Very low | 29.8 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 168.4 | 158.6 | 115.9 | -158.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 281 | R | 31.8 | Very low | 30 | Very low | 237 Ų | 237 | 137.5 Ų | 137.5 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 174.9 | -174 | -60 | 162.3 | 163.5 | 164.3 | -8.1 | 113.9 | ||||
| 282 | S | 29.5 | Very low | 30 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | cis | -158.5 | 173.5 | 26 | 59.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 283 | N | 31.9 | Very low | 29.8 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -60.2 | 177.1 | 175.4 | -57.4 | -2.8 | 0 | 0 | 0 | 114.8 | ||||
| 284 | N | 34.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | cis | -163 | 175.9 | 21.8 | -152.9 | 24.7 | 0 | 0 | 0 | 116.4 | ||||
| 285 | D | 27.7 | Very low | 29.7 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 80% | 0.801 | S | S | * | * | trans | 119.6 | 115.8 | 135.9 | -89 | -54.1 | 0 | 0 | 0 | 124.9 | ||||
| 286 | V | 34.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 46 | 110.8 | 153.4 | -78.4 | 0 | 0 | 0 | 0 | 127.6 | ||||
| 287 | K | 25.5 | Very low | 29.9 | Very low | 199 Ų | 199 | 127.9 Ų | 127.9 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | 101 | 144.9 | 111.3 | -162.6 | 169.5 | -177 | -179.2 | 0 | 121.3 | |||||
| 288 | C | 27.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -115.4 | 175.4 | -165.9 | -25.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 289 | S | 27.3 | Very low | 30 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -149.7 | 175.8 | 146.7 | -158.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 290 | A | 31.3 | Very low | 31 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -151.5 | -168 | -172 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 291 | C | 33 | Very low | 31.1 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | cis | -164.3 | 176.1 | 14.4 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 292 | S | 32.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 121.7 Ų | 121.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 92.3 | 133.3 | 145.3 | -55.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 293 | G | 28.1 | Very low | 30.8 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 100 | 125.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 294 | G | 27.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 119.2 Ų | 119.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | cis | -177.2 | 167.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 295 | S | 31.2 | Very low | 30.5 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -47.1 | 169.8 | 178.3 | -36.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 296 | S | 30.3 | Very low | 30.4 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | cis | -175.3 | 170.1 | -7.9 | 34.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 297 | G | 30.3 | Very low | 30.1 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | cis | 128.7 | 111.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 298 | G | 28.9 | Very low | 30.3 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 168.7 | 166.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 299 | L | 34.1 | Very low | 30.5 | Very low | 174 Ų | 174 | 118 Ų | 118 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -139.9 | 177.1 | 175.8 | -61.9 | 175.1 | 0 | 0 | 0 | 108.1 | ||||
| 300 | P | 46.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -140.9 | -169.9 | 5 | 43.9 | -24.2 | 0 | 0 | 0 | 117 | ||||
| 301 | L | 29.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | 77.5 | 109.1 | 143.6 | -162.4 | 68.9 | 0 | 0 | 0 | 124.1 | ||||
| 302 | M | 28 | Very low | 30.1 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 66.7 | 140.7 | 137.4 | -155.2 | 152.2 | 76.6 | 0 | 0 | 125.3 | ||||
| 303 | S | 27 | Very low | 30 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 86.5 | 126.1 | 158.1 | -77.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 304 | A | 29.1 | Very low | 30 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 30.4 | 142.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 305 | L | 30 | Very low | 30.2 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | cis | -169.4 | 150 | 45.3 | -165.2 | 85.1 | 0 | 0 | 0 | 111.9 | ||||
| 306 | D | 27 | Very low | 30.2 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 47.3 | 169 | 158.3 | -125.3 | -44 | 0 | 0 | 0 | 122.6 | ||||
| 307 | G | 27.8 | Very low | 30.1 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | 146.1 | 2.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 308 | Q | 29.9 | Very low | 29.9 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 55 | 158.4 | 154.3 | -150.6 | -173.9 | -100.1 | 0 | 0 | 122.7 | ||||
| 309 | V | 31.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | trans | 100.6 | 88.5 | 154.8 | -167.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 310 | Q | 28.3 | Very low | 29.8 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | 61.5 | 128.8 | 123.8 | -63.2 | -179 | 10.9 | 0 | 0 | 125.3 | |||||
| 311 | L | 29.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | 58.7 | 143.5 | 130.2 | -52.4 | 169.6 | 0 | 0 | 0 | 119.2 | ||||
| 312 | K | 26.8 | Very low | 29.2 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | cis | -175.4 | 135.1 | 45.2 | -171.2 | 172.8 | 178 | 177.2 | 0 | 114.2 | ||||
| 313 | K | 28.9 | Very low | 29.2 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 7.2 | 127.7 | 152.1 | -54.9 | 172.7 | 63.3 | 170.8 | 0 | 121.6 | ||||
| 314 | S | 27.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | 152.8 | 134.6 | 129.7 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 315 | S | 31.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | cis | 78.3 | 88.4 | 18.7 | -159.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 316 | W | 30.8 | Very low | 29.5 | Very low | 252 Ų | 252 | 145.2 Ų | 145.2 | 96% | 0.955 | 78% | 0.777 | S | S | * | * | trans | -133 | 155.5 | 159.4 | -82 | 67 | 0 | 0 | 0 | 108.2 | ||||
| 317 | S | 28.9 | Very low | 29.8 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -139 | -175 | -169.7 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 318 | S | 25.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 81 | 153.2 | 168.6 | -151.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 319 | T | 28.4 | Very low | 29.6 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | 177.1 | 128 | -47.1 | -92.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 320 | L | 32.7 | Very low | 29.4 | Very low | 153 Ų | 153 | 153 Ų | 153 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 47.9 | 135.2 | 161.3 | -63.9 | 168.3 | 0 | 0 | 0 | 121.3 | ||||
| 321 | T | 33.5 | Very low | 29.3 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | -175.4 | 160.1 | 118.1 | -75.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 322 | V | 30 | Very low | 29.1 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -128.8 | 133.9 | -170.3 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 323 | S | 28.3 | Very low | 29.1 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 153.1 | 129.4 | 134.8 | -74.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 324 | R | 33 | Very low | 29.2 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 162.3 | 152.6 | -73.8 | -170.7 | 159.9 | 88.6 | -2.7 | 118.9 | ||||
| 325 | A | 28.3 | Very low | 29.4 | Very low | 76 Ų | 76 | 147.3 Ų | 147.3 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | cis | -172.3 | 164.5 | -31.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 326 | R | 30.4 | Very low | 29.4 | Very low | 219 Ų | 219 | 148.5 Ų | 148.5 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 68.8 | 161.9 | 164.9 | -75.8 | -165.4 | 137.9 | 161.4 | -1.4 | 117.7 | ||||
| 327 | E | 32.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | cis | -176.7 | 132.3 | -39.8 | -115.8 | 170.7 | -171.9 | 0 | 0 | 106.4 | ||||
| 328 | V | 27.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -138.6 | 132.4 | 167.3 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 329 | Y | 26.6 | Very low | 30.2 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -99.6 | 156.8 | -175.6 | -103.6 | -99.3 | 0 | 0 | 0 | 112.7 | ||||
| 330 | Q | 26.5 | Very low | 30.3 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | -134.7 | 165.9 | 139.8 | -76.2 | -157.6 | -5.2 | 0 | 0 | 111.1 | ||||
| 331 | K | 25.8 | Very low | 30.8 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 77% | 0.773 | S | S | * | * | trans | -105.6 | 158.1 | -159.8 | -67.1 | 176.5 | 175 | 176 | 0 | 114.6 | ||||
| 332 | A | 25.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 148 Ų | 148 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -148.7 | 161.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 333 | S | 27.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -170.3 | -178.4 | -176.9 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 334 | V | 31.6 | Very low | 30.2 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | cis | -157.7 | 151.3 | 17.2 | -119.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 335 | N | 31.3 | Very low | 31 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 64.4 | 159.5 | 152.3 | -68 | -41.1 | 0 | 0 | 0 | 119 | ||||
| 336 | L | 31.3 | Very low | 30.9 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -150.8 | -170.6 | 8.3 | -146.9 | 65 | 0 | 0 | 0 | 107.9 | ||||
| 337 | D | 32.3 | Very low | 31 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 55% | 0.551 | 78% | 0.777 | S | S | * | * | cis | -155.3 | -81.5 | 5.4 | -165.4 | 33.6 | 0 | 0 | 0 | 117.8 | ||||
| 338 | K | 36.3 | Very low | 30.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 177.3 | -154.6 | -82 | -179.8 | -160 | 72.1 | 0 | 112.7 | ||||
| 339 | A | 33.3 | Very low | 30.8 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | cis | -179.6 | -174.1 | -29.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 340 | L | 32.4 | Very low | 31 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | cis | -154.1 | -159.2 | 0.7 | -162.8 | 45.8 | 0 | 0 | 0 | 109.4 | ||||
| 341 | V | 42.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -138.7 | 155.9 | -171.2 | 176 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 342 | K | 25.1 | Very low | 31.3 | Very low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | trans | -157.2 | 164.2 | 159.7 | -145.8 | 176.4 | -178.5 | -177.3 | 0 | 113.1 | ||||
| 343 | A | 31.3 | Very low | 31.4 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -154.6 | 168 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 344 | E | 23.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 66.4 | 161.2 | 163.9 | -67.1 | -49.5 | 136.1 | 0 | 0 | 121.4 | ||||
| 345 | P | 48.5 | Very low | 32.2 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | cis | -141.7 | 147.4 | -22.8 | 33 | -12.6 | 0 | 0 | 0 | 118.8 | ||||
| 346 | G | 27.5 | Very low | 32.3 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 94.8 | 147.5 | 130.7 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 347 | R | 32.7 | Very low | 32.6 | Very low | 235 Ų | 235 | 138.7 Ų | 138.7 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | trans | 106.7 | 127 | 144.6 | -56.9 | -178.4 | -169.3 | -92.1 | -2.3 | 123.5 | ||||
| 348 | T | 26.8 | Very low | 32.9 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 68.8 | 153.6 | 148 | 43.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 349 | C | 27.8 | Very low | 32.6 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | cis | -172.7 | 165.4 | -31.8 | -138.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 350 | H | 30.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 65.7 | 156.7 | 161.1 | -58.6 | -52.6 | 0 | 0 | 0 | 120.8 | ||||
| 351 | F | 24.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | cis | -161 | 151.5 | 28.3 | -165.5 | -139.5 | 0 | 0 | 0 | 114.9 | ||||
| 352 | L | 34.9 | Very low | 31.3 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 63% | 0.634 | 76% | 0.759 | S | S | * | * | trans | 62.9 | 155 | 160.2 | -75.6 | -174.2 | 0 | 0 | 0 | 121.7 | ||||
| 353 | Q | 27.4 | Very low | 31.9 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -158.4 | 157.7 | -11.3 | -177.8 | 161.5 | -0.8 | 0 | 0 | 112 | ||||
| 354 | V | 35.6 | Very low | 32.3 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -138.1 | 146.2 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 355 | P | 40.5 | Very low | 32.7 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -110.2 | 162.7 | 151.6 | -5 | 26.2 | 0 | 0 | 0 | 113.2 | ||||
| 356 | Q | 33 | Very low | 31.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -124.8 | -172.5 | -160.8 | -157.5 | -175.6 | -83.8 | 0 | 0 | 112.1 | ||||
| 357 | D | 38.7 | Very low | 31.8 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | 96.7 | 131 | 151.6 | -56.5 | -20.7 | 0 | 0 | 0 | 119.1 | ||||
| 358 | D | 36.9 | Very low | 31.8 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | cis | -164.6 | -178.4 | -22 | -146.2 | -12.8 | 0 | 0 | 0 | 112.8 | ||||
| 359 | W | 30.3 | Very low | 31.9 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 108.1 | 103.7 | 153.1 | -60.5 | 106 | 0 | 0 | 0 | 120.3 | ||||
| 360 | S | 27.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 62.3 | 157.8 | 145.7 | 75.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 361 | G | 28 | Very low | 32.6 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 159.5 | 122 | -14.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | F | 26.9 | Very low | 33.4 | Very low | 219 Ų | 219 | 138.5 Ų | 138.5 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | 59.8 | 164.2 | 169 | -69.3 | -85 | 0 | 0 | 0 | 119.1 | ||||
| 363 | S | 36.8 | Very low | 33.8 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -126.3 | 137.8 | 167.9 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 364 | P | 39.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -140.7 | 151.6 | 144.1 | 37.8 | -24.3 | 0 | 0 | 0 | 115.4 | ||||
| 365 | V | 32.1 | Very low | 34.4 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | 12.2 | 129.5 | 138.2 | -172.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 366 | G | 28.1 | Very low | 34 | Very low | 68 Ų | 68 | 149.9 Ų | 149.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 147.1 | 105.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 367 | K | 30.1 | Very low | 34.2 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | cis | 57.1 | 90.8 | 39.3 | -76 | -163.2 | 175.1 | -168.9 | 0 | 113.3 | ||||
| 368 | D | 31.4 | Very low | 34.3 | Very low | 161 Ų | 161 | 152 Ų | 152 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -164.2 | 131.7 | 158.7 | -162.4 | 71.9 | 0 | 0 | 0 | 108.5 | ||||
| 369 | D | 29.5 | Very low | 34.2 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | -144.5 | 173.3 | -51.7 | -139.4 | -21.8 | 0 | 0 | 0 | 112.7 | |||||
| 370 | E | 32.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 31.3 | 94.4 | 153.5 | -157 | 156.6 | -134 | 0 | 0 | 121.5 | ||||
| 371 | I | 42.2 | Very low | 35.1 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | 21.1 | 119.5 | 123 | -62.4 | 172.2 | 0 | 0 | 0 | 116.5 | |||||
| 372 | P | 41.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | -147.6 | 136.5 | 101 | 35.6 | -19.1 | 0 | 0 | 0 | 117.6 | |||||
| 373 | C | 43.3 | Very low | 36.2 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 125.2 | 161.8 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 374 | R | 34.4 | Very low | 36.5 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -165.8 | 150.1 | 156.9 | -117.7 | 162.2 | -177.4 | -179.3 | 0.7 | 115.6 | ||||
| 375 | R | 40.2 | Very low | 36.8 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | 62.6 | 117.9 | 175.6 | -75.2 | 168.7 | 57.4 | -164.8 | -4.2 | 114.5 | ||||
| 376 | M | 33.3 | Very low | 37.4 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | cis | 57.2 | 109.9 | 36.2 | -53.4 | -179.1 | 68.2 | 0 | 0 | 115.6 | ||||
| 377 | R | 36.4 | Very low | 37.9 | Very low | 219 Ų | 219 | 155.5 Ų | 155.5 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 162.9 | 108 | 135.3 | -90.6 | 175.1 | 172.5 | 166.2 | -1.2 | 106.9 | ||||
| 378 | S | 41 | Very low | 38.5 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 67.7 | 111.1 | 75.3 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 379 | G | 34.3 | Very low | 39.1 | Very low | 77 Ų | 77 | 154.6 Ų | 154.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -179.1 | 130 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 380 | S | 43.7 | Very low | 39.4 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 156.3 | 172.5 | -70.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 381 | Y | 32.1 | Very low | 39.6 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 79.7 | 171.3 | 164.6 | -150.1 | -103.3 | 0 | 0 | 0 | 118 | ||||
| 382 | I | 36.1 | Very low | 39.3 | Very low | 136 Ų | 136 | 149 Ų | 149 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | trans | 69.9 | 118.4 | -173.2 | -49 | 176.8 | 0 | 0 | 0 | 111.8 | ||||
| 383 | K | 41.5 | Very low | 38.9 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | cis | 57.4 | 112.3 | 0.4 | -164.4 | 167.3 | -176.2 | 176.2 | 0 | 118.6 | ||||
| 384 | A | 43.5 | Very low | 38.3 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 60% | 0.595 | 80% | 0.797 | S | S | * | * | trans | 73.3 | 104.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 385 | M | 45.4 | Very low | 38 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | -170.6 | 160.7 | 99.2 | -80.1 | -43.3 | -158.8 | 0 | 0 | 109.2 | |||||
| 386 | A | 44.6 | Very low | 38 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 99.7 | 75.7 | -159.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 387 | E | 40.3 | Very low | 38.3 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | 75.3 | 114.3 | 45.5 | -158 | 176.2 | -115.8 | 0 | 0 | 113.2 | ||||
| 388 | E | 41.6 | Very low | 38.3 | Very low | 190 Ų | 190 | 134.3 Ų | 134.3 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -168.8 | 148.6 | 154.7 | -98.2 | -55.9 | 151.3 | 0 | 0 | 105.7 | ||||
| 389 | D | 43.8 | Very low | 38.4 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -126.9 | 162.8 | -152.7 | -166.4 | 31 | 0 | 0 | 0 | 116.8 | ||||
| 390 | S | 36.3 | Very low | 38.1 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 12.3 | 133.4 | 156.2 | -170.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 391 | G | 35.7 | Very low | 38.1 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | 153.4 | 113.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 392 | D | 35.6 | Very low | 38.6 | Very low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | 79.4 | 151.3 | 173.4 | -79 | -28.9 | 0 | 0 | 0 | 119.5 | ||||
| 393 | S | 34.5 | Very low | 39 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -173.9 | 159.8 | -33.5 | -102.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 394 | D | 30.4 | Very low | 39.2 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 21.4 | 117.1 | 168.2 | -73.3 | -35.7 | 0 | 0 | 0 | 120.7 | ||||
| 395 | C | 28.6 | Very low | 39.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | 172.1 | 141.5 | 88.8 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 396 | S | 38.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -112.5 | 117.8 | 165.6 | -169.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 397 | P | 40.4 | Very low | 39.5 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -139 | 153.6 | 145.8 | 30.4 | -12.3 | 0 | 0 | 0 | 114.9 | ||||
| 398 | K | 35.7 | Very low | 39.6 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -74.2 | 174.1 | 164.7 | -58.1 | 169 | -176.4 | 171.2 | 0 | 109.8 | ||||
| 399 | P | 43.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -133.5 | -147.3 | -29.3 | 29.3 | -5.2 | 0 | 0 | 0 | 111.2 | ||||
| 400 | S | 28.4 | Very low | 39.9 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 85.7 | 159.5 | 152.2 | -59.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 401 | P | 42.8 | Very low | 40.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -138 | 61.8 | -38 | 37.2 | -19.4 | 0 | 0 | 0 | 112.5 | ||||
| 402 | K | 42.4 | Very low | 40.7 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -126 | 3 | -170.9 | -83.9 | 179.9 | 177.7 | 171.1 | 0 | 118.7 | ||
| 403 | V | 44.2 | Very low | 41.1 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -93.9 | -22.9 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 113.5 | A405 | V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.18Å; V403-A405 VanDerWaalsContact O-N 3.17Å |
| 404 | Q | 47.6 | Very low | 41.6 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -18 | -170.6 | -154.5 | 167.4 | 8.8 | 0 | 0 | 114.5 | ||
| 405 | A | 45.1 | Very low | 41.8 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -16.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V403 | V403-A405 VanDerWaalsContact C-N 3.26Å; V403-A405 PolarHBondContact O-N 3.18Å; V403-A405 VanDerWaalsContact O-N 3.17Å |
| 406 | R | 48 | Very low | 42.1 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -93 | -16.2 | -174.6 | -75.9 | -173.6 | 174.5 | 176.6 | -1.1 | 115.3 | ||
| 407 | R | 45.3 | Very low | 42 | Very low | 221 Ų | 221 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -85.9 | -14.8 | -178.3 | -135.7 | 173.1 | -174.9 | 120.4 | -1.1 | 114 | ||
| 408 | A | 42.5 | Very low | 42 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -80.7 | -21 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y410 | A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.34Å |
| 409 | S | 48.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -14.4 | -173 | -167.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 410 | Y | 42.9 | Very low | 41.7 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -11.1 | -175.4 | -146.7 | -98.3 | 0 | 0 | 0 | 113.2 | A408 | A408-Y410 VanDerWaalsContact C-N 3.34Å; A408-Y410 PolarHBondContact O-N 3.34Å |
| 411 | L | 44.7 | Very low | 41.8 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -99.5 | 10.1 | -176.4 | -79.7 | 167.2 | 0 | 0 | 0 | 114.1 | ||
| 412 | K | 45.1 | Very low | 41.3 | Very low | 194 Ų | 194 | 150.7 Ų | 150.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -116.8 | 22.1 | -177.5 | -137.3 | -168.9 | -177.4 | -165.4 | 0 | 115 | ||
| 413 | A | 43.8 | Very low | 40.8 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -116 | -1.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 414 | T | 46.1 | Very low | 40.1 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -138.6 | 62.8 | -179.5 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 415 | Q | 32.9 | Very low | 39.2 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | -147.3 | 112 | 175.7 | -93.2 | -68 | -6.1 | 0 | 0 | 109.6 | S417 | Q415-S417 PolarHBondContact O-N 3.44Š| ||
| 416 | P | 36.3 | Very low | 38.4 | Very low | 117 Ų | 117 | 153.8 Ų | 153.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -88.7 | 78.5 | 175.4 | 34.8 | -32.1 | 0 | 0 | 0 | 110.7 | L418 | P416-L418 PolarHBondContact O-N 3.37Š| ||
| 417 | S | 35.2 | Very low | 37.4 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 105.2 | -178.6 | 56 | 0 | 0 | 0 | 0 | 112.8 | Q415 T419 | Q415-S417 PolarHBondContact O-N 3.44Å; S417-T419 PolarHBondContact O-N 3.01Å; S417-T419 VanDerWaalsContact O-N 3.1Å | ||
| 418 | L | 40 | Very low | 36.8 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 92.9 | 160.5 | -81.4 | 88.9 | 0 | 0 | 0 | 110.3 | P416 | P416-L418 PolarHBondContact O-N 3.37Š| ||
| 419 | T | 39.5 | Very low | 36.1 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | -162.9 | 91.8 | 159.8 | 45 | 0 | 0 | 0 | 0 | 110.9 | S417 | S417-T419 PolarHBondContact O-N 3.01Å; S417-T419 VanDerWaalsContact O-N 3.1Å | ||
| 420 | E | 35.6 | Very low | 35.3 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -174 | 65.9 | 152.9 | -109.3 | 166.3 | -137.8 | 0 | 0 | 111.4 | ||||
| 421 | M | 28.9 | Very low | 34.6 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -135.7 | 59 | 167.9 | -103.6 | -142.4 | 73.9 | 0 | 0 | 111.9 | ||||
| 422 | T | 33 | Very low | 34.3 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -145.3 | 155.3 | 165.1 | -28.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 423 | T | 32.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 60.6 | 74.4 | 174.7 | 66.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 424 | L | 28.5 | Very low | 32.8 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | -135 | 154.3 | 120 | -83 | -170.8 | 0 | 0 | 0 | 109.5 | |||||
| 425 | K | 28.3 | Very low | 32.2 | Very low | 202 Ų | 202 | 150.5 Ų | 150.5 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83 | 145.2 | -172.8 | -71.6 | -172.4 | 175.7 | -175.3 | 0 | 111.9 | S427 | K425-S427 PolarHBondContact O-N 2.89Š|
| 426 | I | 28.3 | Very low | 32.1 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 121.1 | 157.1 | -60.8 | 169.1 | 0 | 0 | 0 | 107.7 | ||
| 427 | S | 28.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 119.6 | 155.8 | 52.1 | 0 | 0 | 0 | 0 | 108 | K425 E429 | K425-S427 PolarHBondContact O-N 2.89Å; S427-E429 PolarHBondContact O-N 3.45Å |
| 428 | T | 31.7 | Very low | 31.5 | Very low | 118 Ų | 118 | 155.3 Ų | 155.3 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 124.8 | 175 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 429 | E | 28.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | -179.7 | 155.4 | 107.3 | 47 | -133.5 | 151 | 0 | 0 | 114.7 | S427 | S427-E429 PolarHBondContact O-N 3.45Š| |||
| 430 | H | 31.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | 70.6 | 97.2 | 171.6 | -54.6 | -50.7 | 0 | 0 | 0 | 121.9 | ||||
| 431 | S | 26.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 78.4 | 155.5 | 131.4 | -71.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 432 | P | 38.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -131.4 | 161.4 | -135 | 42.1 | -27.4 | 0 | 0 | 0 | 118.5 | ||||
| 433 | K | 28.3 | Very low | 30.9 | Very low | 185 Ų | 185 | 159.5 Ų | 159.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 60.2 | 88.8 | 150.4 | -69.5 | 172.6 | -179.7 | -179.1 | 0 | 118.5 | ||||
| 434 | L | 30.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 158 Ų | 158 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -113.8 | 121.4 | 131.2 | -69.8 | 176 | 0 | 0 | 0 | 108 | ||||
| 435 | Q | 32.8 | Very low | 31 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -118.1 | 95.3 | 171.9 | -85.9 | -165.6 | -52.8 | 0 | 0 | 110.1 | R437 | Q435-R437 PolarHBondContact O-N 2.99Š| ||
| 436 | I | 29.8 | Very low | 30.9 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -69.1 | 116 | 164.4 | -62.4 | 171.5 | 0 | 0 | 0 | 107.2 | ||||
| 437 | R | 29.6 | Very low | 31 | Very low | 212 Ų | 212 | 152.7 Ų | 152.7 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -100.5 | 75.1 | 179.5 | -170.2 | -168.6 | 175.1 | 105.8 | 3.3 | 110.7 | Q435 H439 | Q435-R437 PolarHBondContact O-N 2.99Å; R437-H439 PolarHBondContact O-N 3.43Å | ||
| 438 | S | 31.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 154 Ų | 154 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -76 | 119.3 | 172.5 | 37.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 439 | H | 31.6 | Very low | 30.6 | Very low | 171 Ų | 171 | 153.4 Ų | 153.4 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | 38.7 | 100.2 | 163.4 | -68.3 | -86.4 | 0 | 0 | 0 | 119.7 | R437 | R437-H439 PolarHBondContact O-N 3.43Š| ||
| 440 | S | 27.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 62% | 0.622 | 81% | 0.805 | S | S | * | * | trans | -102.6 | 80.3 | 149.4 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 441 | Y | 35.5 | Very low | 30.8 | Very low | 208 Ų | 208 | 152.7 Ų | 152.7 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -101.3 | 156.8 | 160.6 | -120.2 | -104.6 | 0 | 0 | 0 | 108.6 | ||||
| 442 | L | 39 | Very low | 31 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 71.1 | 52.5 | -171.6 | -49.9 | -179 | 0 | 0 | 0 | 116.4 | ||
| 443 | R | 28.9 | Very low | 30.4 | Very low | 241 Ų | 241 | 156.9 Ų | 156.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -151.7 | 82.5 | 151 | -173.1 | -175.5 | -75.3 | 169.2 | -4.5 | 111.9 | ||||
| 444 | A | 29.7 | Very low | 30.5 | Very low | 98 Ų | 98 | 153.7 Ų | 153.7 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -166.8 | 57.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 445 | V | 33.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -139.6 | 132.7 | 156.7 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | ||
| 446 | S | 27.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | 63.6 | 146.2 | -160.8 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 447 | E | 29.6 | Very low | 30.5 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | cis | -122.2 | -157 | 7.2 | -62 | -175.4 | 134.1 | 0 | 0 | 112.7 | ||||
| 448 | V | 26.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 78.8 | 113.2 | -170.4 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 449 | S | 26.3 | Very low | 30.7 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | cis | 165.4 | 138.4 | -26.4 | 48.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 450 | I | 32.7 | Very low | 30.8 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -91.2 | 132.8 | -167.4 | -57.9 | 162.2 | 0 | 0 | 0 | 112 | ||||
| 451 | N | 30.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -165.4 | 156.2 | 150.6 | -89.3 | -53.4 | 0 | 0 | 0 | 111.8 | ||||
| 452 | R | 30.7 | Very low | 31.4 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | cis | -171.9 | 114.3 | -41.3 | -177 | 179.5 | -174.1 | -149.9 | 1.4 | 111.2 | ||||
| 453 | S | 26.5 | Very low | 31 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -160 | 134.4 | 150.4 | 47.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 454 | L | 31 | Very low | 31.1 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 61% | 0.613 | 80% | 0.798 | S | S | * | * | cis | 78.6 | 85.2 | 15.5 | -147.8 | 177.8 | 0 | 0 | 0 | 114.5 | ||||
| 455 | D | 28.8 | Very low | 31 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 155.8 | 137.5 | -104.1 | -35.7 | 0 | 0 | 0 | 111.2 | ||||
| 456 | S | 28.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | 55.1 | 99.1 | 174 | -71.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 457 | L | 34.4 | Very low | 31 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -12.5 | 139.9 | 142.2 | -47.1 | 170.7 | 0 | 0 | 0 | 116.1 | ||||
| 458 | D | 28.2 | Very low | 31 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | -174.9 | 149.1 | 59.8 | -175.9 | 46.8 | 0 | 0 | 0 | 110.4 | |||||
| 459 | P | 36.3 | Very low | 31.6 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -114.9 | 85.8 | -164.2 | 39.1 | -27.1 | 0 | 0 | 0 | 115.9 | ||||
| 460 | A | 35.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -143.2 | 51.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 461 | G | 41.8 | Very low | 32.5 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | -175.9 | 166.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 462 | L | 32.5 | Very low | 32.7 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 65.9 | 44 | 167.5 | -51.5 | -177.1 | 0 | 0 | 0 | 118.6 | ||||
| 463 | L | 30.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -93.8 | 66.1 | 151 | -77.5 | -177.1 | 0 | 0 | 0 | 111.3 | ||||
| 464 | A | 32.1 | Very low | 34.1 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -145.6 | 58.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 465 | S | 27.1 | Very low | 35 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -159 | 150 | 156.9 | -87.9 | 0 | 0 | 0 | 0 | 112.3 | K467 | S465-K467 PolarHBondContact O-N 3.17Š|
| 466 | P | 30.7 | Very low | 36 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.5 | -169.3 | -16 | 32.1 | 0 | 0 | 0 | 112.6 | ||
| 467 | K | 30.9 | Very low | 37.2 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 126.6 | 171.3 | -66.5 | -178.7 | 180 | 179 | 0 | 109.8 | S465 R469 | S465-K467 PolarHBondContact O-N 3.17Å; K467-R469 PolarHBondContact O-N 3.41Å; K467-R469 VanDerWaalsContact O-N 3.13Å |
| 468 | F | 30.3 | Very low | 37.9 | Very low | 215 Ų | 215 | 128.9 Ų | 128.9 | 94% | 0.943 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 117.9 | 169.8 | -96.6 | -108.5 | 0 | 0 | 0 | 110.2 | ||
| 469 | R | 37.3 | Very low | 38.4 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 64% | 0.638 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 140.1 | 165.8 | -69.4 | -89.1 | -179.4 | 158.8 | 2.1 | 108 | K467 E473 | K467-R469 PolarHBondContact O-N 3.41Å; K467-R469 VanDerWaalsContact O-N 3.13Å; R469-E473 WeakPolarHBondContact CD-OE2 3.36Å; R469-E473 IonicContact CZ-OE1 3.07Å; R469-E473 IonicContact CZ-OE2 3.89Å; R469-E473 IonicContact NE-OE2 3.71Å; R469-E473 IonicContact NH1-OE1 2.81Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH1-OE2 2.81Å; R469-E473 PolarHBondContact NH1-OE2 3.48Å |
| 470 | S | 39.9 | Very low | 38.7 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 142.4 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | N472 E473 | S470-N472 PolarHBondContact O-N 2.89Å; S470-E473 PolarHBondContact O-N 3.29Å |
| 471 | R | 39 | Very low | 39.1 | Very low | 235 Ų | 235 | 125.2 Ų | 125.2 | 89% | 0.887 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.1 | -11.3 | -172.8 | -166 | 171.8 | -178.3 | 163.8 | -0.6 | 114.6 | S474 | R471-S474 PolarHBondContact O-OG 3.35Å |
| 472 | N | 35.9 | Very low | 39.3 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -85.2 | -30.2 | 177.9 | -156.3 | 22.8 | 0 | 0 | 0 | 112.9 | S470 | S470-N472 PolarHBondContact O-N 2.89Å |
| 473 | E | 41.7 | Very low | 39.8 | Very low | 57 Ų | 57 | 125 Ų | 125 | 27% | 0.266 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.6 | -32.4 | -175.1 | -153.7 | -152.6 | 130.9 | 0 | 0 | 112.5 | R469 S470 R477 | R469-E473 WeakPolarHBondContact CD-OE2 3.36Å; R469-E473 IonicContact CZ-OE1 3.07Å; R469-E473 IonicContact CZ-OE2 3.89Å; R469-E473 IonicContact NE-OE2 3.71Å; R469-E473 IonicContact NH1-OE1 2.81Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH1-OE2 2.81Å; R469-E473 PolarHBondContact NH1-OE2 3.48Å; S470-E473 PolarHBondContact O-N 3.29Å; E473-R477 PolarHBondContact O-N 3.45Å; E473-R477 IonicContact OE1-CZ 3.2Å; E473-R477 IonicContact OE1-NH1 2.81Å; E473-R477 PolarHBondContact OE1-NH1 3.09Å; E473-R477 IonicContact OE1-NH2 2.7Å; E473-R477 PolarHBondContact OE1-NH2 2.97Å |
| 474 | S | 43.2 | Very low | 40.3 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 48% | 0.483 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.7 | -37.4 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | R471 R477 A478 | R471-S474 PolarHBondContact O-OG 3.35Å; S474-R477 PolarHBondContact O-N 3.15Å; S474-A478 WeakPolarHBondContact O-CB 3.39Å; S474-A478 PolarHBondContact O-N 3.4Å |
| 475 | Y | 49.8 | Very low | 40.5 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 63% | 0.627 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.3 | -47.7 | 178.8 | -171.2 | -106.5 | 0 | 0 | 0 | 111.5 | R477 A478 M479 | Y475-R477 PolarHBondContact O-N 3.22Å; Y475-A478 PolarHBondContact O-N 3.45Å; Y475-M479 HydrophobicContact CE1-CG 4.42Å; Y475-M479 WeakPolarHBondContact O-CG 3.28Å; Y475-M479 PolarHBondContact O-N 3.03Å; Y475-M479 VanDerWaalsContact O-N 3.09Å |
| 476 | M | 51.5 | Low | 41.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.8 | -35.1 | 176.1 | -62.5 | -151.2 | -56.2 | 0 | 0 | 112.8 | S480 | M476-S480 VanDerWaalsContact O-CB 3.32Å; M476-S480 WeakPolarHBondContact O-CB 3.34Å; M476-S480 PolarHBondContact O-N 3.41Å |
| 477 | R | 53.3 | Low | 41.8 | Very low | 136 Ų | 136 | 126 Ų | 126 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.2 | -42 | 176.3 | -175.2 | 167.9 | -71.6 | 115.2 | 11 | 112.3 | E473 S474 Y475 S480 T481 | E473-R477 PolarHBondContact O-N 3.45Å; E473-R477 IonicContact OE1-CZ 3.2Å; E473-R477 IonicContact OE1-NH1 2.81Å; E473-R477 PolarHBondContact OE1-NH1 3.09Å; E473-R477 IonicContact OE1-NH2 2.7Å; E473-R477 PolarHBondContact OE1-NH2 2.97Å; S474-R477 PolarHBondContact O-N 3.15Å; Y475-R477 PolarHBondContact O-N 3.22Å; R477-S480 PolarHBondContact O-N 3.34Å; R477-T481 PolarHBondContact O-N 3.37Å; R477-T481 VanDerWaalsContact O-N 3.15Å; R477-T481 PolarHBondContact O-OG1 3.03Å |
| 478 | A | 48.1 | Very low | 42.7 | Very low | 59 Ų | 59 | 123.3 Ų | 123.3 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S474 Y475 S480 T481 | S474-A478 WeakPolarHBondContact O-CB 3.39Å; S474-A478 PolarHBondContact O-N 3.4Å; Y475-A478 PolarHBondContact O-N 3.45Å; A478-S480 VanDerWaalsContact C-N 3.34Å; A478-T481 PolarHBondContact O-N 3.29Å; A478-T481 PolarHBondContact O-OG1 3.38Å |
| 479 | M | 38.8 | Very low | 43.8 | Very low | 109 Ų | 109 | 120 Ų | 120 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65 | -36.9 | 172.5 | -67.1 | -64.6 | -69.6 | 0 | 0 | 112 | Y475 T481 I482 | Y475-M479 HydrophobicContact CE1-CG 4.42Å; Y475-M479 WeakPolarHBondContact O-CG 3.28Å; Y475-M479 PolarHBondContact O-N 3.03Å; Y475-M479 VanDerWaalsContact O-N 3.09Å; M479-T481 VanDerWaalsContact C-N 3.33Å; M479-T481 PolarHBondContact O-N 2.94Å; M479-I482 WeakPolarHBondContact O-CG2 3.47Å; M479-I482 PolarHBondContact O-N 2.9Å |
| 480 | S | 43 | Very low | 44.5 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.2 | -28 | 179.4 | -170.7 | 0 | 0 | 0 | 0 | 113.7 | M476 R477 A478 | M476-S480 VanDerWaalsContact O-CB 3.32Å; M476-S480 WeakPolarHBondContact O-CB 3.34Å; M476-S480 PolarHBondContact O-N 3.41Å; R477-S480 PolarHBondContact O-N 3.34Å; A478-S480 VanDerWaalsContact C-N 3.34Å |
| 481 | T | 44.5 | Very low | 45 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.3 | -21.5 | 176.9 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | R477 A478 M479 S483 | R477-T481 PolarHBondContact O-N 3.37Å; R477-T481 VanDerWaalsContact O-N 3.15Å; R477-T481 PolarHBondContact O-OG1 3.03Å; A478-T481 PolarHBondContact O-N 3.29Å; A478-T481 PolarHBondContact O-OG1 3.38Å; M479-T481 VanDerWaalsContact C-N 3.33Å; M479-T481 PolarHBondContact O-N 2.94Å; T481-S483 VanDerWaalsContact C-N 3.27Å; T481-S483 PolarHBondContact O-N 3.34Å |
| 482 | I | 44.5 | Very low | 45.6 | Very low | 136 Ų | 136 | 107 Ų | 107 | 70% | 0.697 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.8 | 177.5 | -136.6 | 168.8 | 0 | 0 | 0 | 112.7 | M479 | M479-I482 WeakPolarHBondContact O-CG2 3.47Å; M479-I482 PolarHBondContact O-N 2.9Å |
| 483 | S | 44.7 | Very low | 46.3 | Very low | 99 Ų | 99 | 108 Ų | 108 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 10.8 | -178.3 | -171.5 | 0 | 0 | 0 | 0 | 114.3 | T481 | T481-S483 VanDerWaalsContact C-N 3.27Å; T481-S483 PolarHBondContact O-N 3.34Å |
| 484 | Q | 39.7 | Very low | 46.8 | Very low | 176 Ų | 176 | 109.9 Ų | 109.9 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -129 | 25.9 | -179.9 | -69.5 | -163.7 | -21.7 | 0 | 0 | 113.9 | ||
| 485 | V | 36.1 | Very low | 47.4 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 58% | 0.582 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -117.5 | 127.5 | 164 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | V490 | V485-V490 HydrophobicContact CG1-CG2 4.14Š|
| 486 | S | 40.1 | Very low | 47.4 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | trans | -78.4 | 135.7 | -175.9 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | V488 E489 | S486-V488 PolarHBondContact O-N 3.09Å; S486-E489 PolarHBondContact O-N 2.65Å | ||
| 487 | E | 45.2 | Very low | 47.5 | Very low | 167 Ų | 167 | 106.5 Ų | 106.5 | 78% | 0.78 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.7 | -5.3 | -178.8 | -60.3 | 178.2 | 120.9 | 0 | 0 | 115.1 | N491 | E487-N491 PolarHBondContact O-ND2 2.79Å |
| 488 | V | 51.2 | Low | 47.3 | Very low | 126 Ų | 126 | 103.2 Ų | 103.2 | 76% | 0.764 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -80.4 | -36.7 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | S486 | S486-V488 PolarHBondContact O-N 3.09Å |
| 489 | E | 52.3 | Low | 47.4 | Very low | 144 Ų | 144 | 107.4 Ų | 107.4 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -86.2 | -34.8 | -171.8 | -163.7 | 165.2 | -158.2 | 0 | 0 | 112.3 | S486 Q493 | S486-E489 PolarHBondContact O-N 2.65Å; E489-Q493 PolarHBondContact O-N 2.69Å |
| 490 | V | 51.7 | Low | 48 | Very low | 76 Ų | 76 | 106 Ų | 106 | 46% | 0.461 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.5 | -33.3 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | V485 I494 | V485-V490 HydrophobicContact CG1-CG2 4.14Å; V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 WeakPolarHBondContact O-CG1 3.1Å; V490-I494 PolarHBondContact O-N 3.03Å |
| 491 | N | 50 | Low | 48.3 | Very low | 98 Ų | 98 | 106.8 Ų | 106.8 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.1 | -47.6 | 179.1 | -83.1 | -46.7 | 0 | 0 | 0 | 112.1 | E487 Q493 I494 E495 | E487-N491 PolarHBondContact O-ND2 2.79Å; N491-Q493 VanDerWaalsContact C-N 3.28Å; N491-Q493 PolarHBondContact O-N 3.07Å; N491-I494 PolarHBondContact O-N 2.89Å; N491-E495 PolarHBondContact O-N 2.98Å |
| 492 | G | 53.2 | Low | 48.4 | Very low | 39 Ų | 39 | 108.3 Ų | 108.3 | 40% | 0.402 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.3 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I494 A496 | G492-I494 VanDerWaalsContact C-N 3.33Å; G492-A496 WeakPolarHBondContact O-CB 3.19Å; G492-A496 PolarHBondContact O-N 2.96Å; G492-A496 VanDerWaalsContact O-N 3.09Å |
| 493 | Q | 49.1 | Very low | 48.4 | Very low | 139 Ų | 139 | 105.3 Ų | 105.3 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69 | -30.8 | 175.1 | -156.4 | 99 | 82.5 | 0 | 0 | 112.5 | E489 N491 V497 | E489-Q493 PolarHBondContact O-N 2.69Å; N491-Q493 VanDerWaalsContact C-N 3.28Å; N491-Q493 PolarHBondContact O-N 3.07Å; Q493-V497 VanDerWaalsContact O-CG2 3.29Å; Q493-V497 WeakPolarHBondContact O-CG2 3.41Å; Q493-V497 PolarHBondContact O-N 3.48Å |
| 494 | I | 53.9 | Low | 48.5 | Very low | 98 Ų | 98 | 108.5 Ų | 108.5 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.8 | -41.7 | 178.1 | -69.5 | 172 | 0 | 0 | 0 | 111.1 | V490 N491 G492 V497 C498 | V490-I494 HydrophobicContact CG1-CD1 3.95Å; V490-I494 WeakPolarHBondContact O-CG1 3.1Å; V490-I494 PolarHBondContact O-N 3.03Å; N491-I494 PolarHBondContact O-N 2.89Å; G492-I494 VanDerWaalsContact C-N 3.33Å; I494-V497 PolarHBondContact O-N 2.83Å; I494-C498 PolarHBondContact O-N 2.78Å; I494-C498 PolarHBondContact O-SG 3.44Å; I494-C498 VanDerWaalsContact O-SG 3.36Å |
| 495 | E | 54.2 | Low | 48.9 | Very low | 138 Ų | 138 | 107.6 Ų | 107.6 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60 | -46.7 | 173.5 | -81.1 | -176.8 | 134.1 | 0 | 0 | 111.5 | N491 V497 C498 E499 | N491-E495 PolarHBondContact O-N 2.98Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.23Å; E495-C498 CarbonylContact O-C 3.53Å; E495-C498 PolarHBondContact O-N 3.43Å; E495-E499 PolarHBondContact O-N 3.34Å |
| 496 | A | 50.8 | Low | 49.2 | Very low | 53 Ų | 53 | 110.5 Ų | 110.5 | 44% | 0.438 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.1 | -38.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G492 C498 S500 | G492-A496 WeakPolarHBondContact O-CB 3.19Å; G492-A496 PolarHBondContact O-N 2.96Å; G492-A496 VanDerWaalsContact O-N 3.09Å; A496-C498 VanDerWaalsContact C-N 3.35Å; A496-S500 VanDerWaalsContact O-CB 3.28Å; A496-S500 WeakPolarHBondContact O-CB 3.37Å; A496-S500 PolarHBondContact O-N 3.03Å |
| 497 | V | 53.1 | Low | 49.4 | Very low | 96 Ų | 96 | 111 Ų | 111 | 58% | 0.582 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.2 | -29.5 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | Q493 I494 E495 V501 | Q493-V497 VanDerWaalsContact O-CG2 3.29Å; Q493-V497 WeakPolarHBondContact O-CG2 3.41Å; Q493-V497 PolarHBondContact O-N 3.48Å; I494-V497 PolarHBondContact O-N 2.83Å; E495-V497 VanDerWaalsContact C-N 3.34Å; E495-V497 PolarHBondContact O-N 3.23Å; V497-V501 VanDerWaalsContact O-CG2 3.32Å; V497-V501 WeakPolarHBondContact O-CG2 3.44Å |
| 498 | C | 48.5 | Very low | 49.4 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.6 | -48.7 | 171.7 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | I494 E495 A496 S500 V501 F502 | I494-C498 PolarHBondContact O-N 2.78Å; I494-C498 PolarHBondContact O-SG 3.44Å; I494-C498 VanDerWaalsContact O-SG 3.36Å; E495-C498 CarbonylContact O-C 3.53Å; E495-C498 PolarHBondContact O-N 3.43Å; A496-C498 VanDerWaalsContact C-N 3.35Å; C498-S500 VanDerWaalsContact C-N 3.35Å; C498-S500 PolarHBondContact O-N 3.27Å; C498-V501 PolarHBondContact O-N 3.34Å; C498-F502 WeakPolarHBondContact O-CD2 3.17Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å |
| 499 | E | 50.6 | Low | 48.9 | Very low | 147 Ų | 147 | 110 Ų | 110 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60 | -43.9 | 177.8 | -76.2 | -168.6 | 125.5 | 0 | 0 | 111.7 | E495 V501 F502 S503 | E495-E499 PolarHBondContact O-N 3.34Å; E499-V501 PolarHBondContact O-N 3.15Å; E499-F502 PolarHBondContact O-N 2.82Å; E499-S503 VanDerWaalsContact O-CB 3.24Å; E499-S503 WeakPolarHBondContact O-CB 3.47Å; E499-S503 PolarHBondContact O-N 2.8Å |
| 500 | S | 52.3 | Low | 48.4 | Very low | 81 Ų | 81 | 109.1 Ų | 109.1 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.5 | -32 | 178.8 | -174.3 | 0 | 0 | 0 | 0 | 113.6 | A496 C498 | A496-S500 VanDerWaalsContact O-CB 3.28Å; A496-S500 WeakPolarHBondContact O-CB 3.37Å; A496-S500 PolarHBondContact O-N 3.03Å; C498-S500 VanDerWaalsContact C-N 3.35Å; C498-S500 PolarHBondContact O-N 3.27Å |
| 501 | V | 49.3 | Very low | 48 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -92.2 | -17.8 | -176.4 | 175 | 0 | 0 | 0 | 0 | 112.6 | V497 C498 E499 | V497-V501 VanDerWaalsContact O-CG2 3.32Å; V497-V501 WeakPolarHBondContact O-CG2 3.44Å; C498-V501 PolarHBondContact O-N 3.34Å; E499-V501 PolarHBondContact O-N 3.15Å |
| 502 | F | 46.3 | Very low | 47.4 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 58% | 0.575 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -97.3 | -35 | 175.7 | -82.3 | -93.3 | 0 | 0 | 0 | 113.2 | C498 E499 E504 M505 E506 | C498-F502 WeakPolarHBondContact O-CD2 3.17Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å; E499-F502 PolarHBondContact O-N 2.82Å; F502-E504 PolarHBondContact O-N 2.9Å; F502-M505 PolarHBondContact O-N 2.62Å; F502-E506 PolarHBondContact O-N 3.48Å |
| 503 | S | 44.6 | Very low | 46.6 | Very low | 73 Ų | 73 | 119.7 Ų | 119.7 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.3 | -35.2 | -179.6 | -172 | 0 | 0 | 0 | 0 | 113.2 | E499 M505 E506 S507 | E499-S503 VanDerWaalsContact O-CB 3.24Å; E499-S503 WeakPolarHBondContact O-CB 3.47Å; E499-S503 PolarHBondContact O-N 2.8Å; S503-M505 VanDerWaalsContact C-N 3.25Å; S503-M505 PolarHBondContact O-N 3.22Å; S503-E506 PolarHBondContact O-N 2.72Å; S503-S507 PolarHBondContact O-N 2.96Å; S503-S507 PolarHBondContact O-OG 2.66Å |
| 504 | E | 45.9 | Very low | 45.8 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.2 | -25.5 | 176.5 | -166.9 | 173.8 | -165.6 | 0 | 0 | 112.8 | F502 | F502-E504 PolarHBondContact O-N 2.9Å |
| 505 | M | 48.6 | Very low | 45 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -85.6 | -27.9 | 178.9 | -170.6 | 68.7 | 63.4 | 0 | 0 | 113.1 | F502 S503 | F502-M505 PolarHBondContact O-N 2.62Å; S503-M505 VanDerWaalsContact C-N 3.25Å; S503-M505 PolarHBondContact O-N 3.22Å |
| 506 | E | 42 | Very low | 44.3 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -92.6 | -14.1 | -174.4 | -154.8 | 157.5 | -139.1 | 0 | 0 | 113.1 | F502 S503 Q508 | F502-E506 PolarHBondContact O-N 3.48Å; S503-E506 PolarHBondContact O-N 2.72Å; E506-Q508 VanDerWaalsContact C-N 3.27Å; E506-Q508 PolarHBondContact O-N 3.02Å |
| 507 | S | 45.3 | Very low | 43.7 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -1.3 | -177.6 | -61.9 | 0 | 0 | 0 | 0 | 115.6 | S503 | S503-S507 PolarHBondContact O-N 2.96Å; S503-S507 PolarHBondContact O-OG 2.66Å |
| 508 | Q | 44.8 | Very low | 43 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 31.7 | -178.4 | -151.8 | 175.5 | 13.3 | 0 | 0 | 113.7 | E506 | E506-Q508 VanDerWaalsContact C-N 3.27Å; E506-Q508 PolarHBondContact O-N 3.02Å |
| 509 | A | 39.9 | Very low | 42.3 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -132.4 | 18.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 510 | V | 41.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -120.7 | 30.8 | -167.6 | -64.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 511 | D | 43.3 | Very low | 40.4 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -148.6 | 60 | 171.9 | -158.2 | 12.5 | 0 | 0 | 0 | 113.1 | ||
| 512 | A | 37.4 | Very low | 39.6 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -156.1 | 13 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 513 | L | 37.8 | Very low | 39 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -135.8 | 82 | -174.7 | -72.2 | 177.1 | 0 | 0 | 0 | 112.8 | ||||
| 514 | D | 31.3 | Very low | 38.6 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -129.7 | 161.2 | 158.1 | -168.6 | 18.8 | 0 | 0 | 0 | 110.1 | ||||
| 515 | L | 37.1 | Very low | 38 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 76.9 | 149.8 | 179.5 | -50.9 | -175.3 | 0 | 0 | 0 | 116.3 | ||
| 516 | P | 40.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -110.9 | 155.2 | -136.3 | 39.3 | -34.9 | 0 | 0 | 0 | 116.6 | ||||
| 517 | M | 38.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -96 | 120.8 | 175 | -80.1 | -67.6 | -62.8 | 0 | 0 | 113.4 | ||
| 518 | P | 38.3 | Very low | 37.6 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 130.4 | 162.4 | -12.9 | 29.7 | 0 | 0 | 0 | 111.1 | ||
| 519 | G | 33.8 | Very low | 37.3 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95 | 136.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 520 | C | 33.4 | Very low | 37.7 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -124.5 | 149.6 | 179.2 | -71.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 521 | F | 28.8 | Very low | 37.9 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -95.9 | 134.3 | -172.7 | -99.3 | -128.2 | 0 | 0 | 0 | 114 | ||||
| 522 | R | 33 | Very low | 37.9 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 59 | 178.3 | 149.7 | -52.7 | -176.3 | 176 | -159.9 | 0.2 | 115.1 | ||||
| 523 | M | 32.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 156.1 Ų | 156.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | cis | -147.1 | -173 | 0.3 | -152.1 | 147.9 | 60 | 0 | 0 | 111.5 | ||||
| 524 | R | 36.4 | Very low | 38 | Very low | 229 Ų | 229 | 157.3 Ų | 157.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -70.4 | 141.3 | 177.3 | -77.2 | -179.7 | 157 | 109.9 | -5.3 | 113.6 | ||||
| 525 | S | 34.9 | Very low | 38.1 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 48.2 | 127 | 141.5 | 66.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 526 | H | 38.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | -157.8 | 173.8 | 100.5 | -149.1 | 49 | 0 | 0 | 0 | 111.8 | |||||
| 527 | S | 48.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -129 | 63.4 | -165.6 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 528 | Y | 38.3 | Very low | 36.9 | Very low | 206 Ų | 206 | 151 Ų | 151 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -149.5 | 29.5 | -175 | -138.2 | -93.7 | 0 | 0 | 0 | 116.2 | ||||
| 529 | V | 40 | Very low | 36.6 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -131.3 | 51 | -175.3 | -159.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 530 | R | 46.6 | Very low | 36.6 | Very low | 253 Ų | 253 | 157.2 Ų | 157.2 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -144.5 | 41.1 | 164.2 | -78.1 | -151.2 | -62.1 | -102.4 | 2.4 | 112.5 | ||
| 531 | A | 46.4 | Very low | 36.6 | Very low | 82 Ų | 82 | 158.8 Ų | 158.8 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -135.9 | 151.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||
| 532 | I | 42.6 | Very low | 36.6 | Very low | 174 Ų | 174 | 159 Ų | 159 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 68.3 | 68.7 | -166.7 | -41 | 168.6 | 0 | 0 | 0 | 112.3 | ||
| 533 | E | 39.4 | Very low | 36.4 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -153.1 | 135.8 | 143.6 | -127.3 | 173.4 | -129 | 0 | 0 | 110.3 | ||||
| 534 | K | 39.2 | Very low | 36.2 | Very low | 204 Ų | 204 | 151.6 Ų | 151.6 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 55.8 | 105.6 | 177.5 | -56.6 | -161.4 | 177.1 | -168.8 | 0 | 118 | ||||
| 535 | G | 33.9 | Very low | 35.7 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -119.4 | 172.5 | 146 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 536 | C | 29.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 146 Ų | 146 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 79.9 | 148.3 | 168 | -58 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 537 | S | 32.7 | Very low | 34.8 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 66.3 | 145.5 | 169.3 | 56 | 0 | 0 | 0 | 0 | 120 | ||||
| 538 | Q | 28.5 | Very low | 33.8 | Very low | 144 Ų | 144 | 150 Ų | 150 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | cis | -176.1 | 137.7 | -21.6 | 175.8 | 168.7 | -27.7 | 0 | 0 | 108.9 | ||||
| 539 | E | 31.9 | Very low | 33.2 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | 48.2 | 177.5 | 159.2 | 89.2 | -147.6 | 155.9 | 0 | 0 | 119.2 | ||||
| 540 | E | 34.3 | Very low | 32.7 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -146.4 | -177.7 | -49.2 | -115.3 | 178.5 | 155.3 | 0 | 0 | 108.9 | ||||
| 541 | E | 33.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 58.1 | 127.5 | 162.2 | -88.9 | 176.2 | 95.4 | 0 | 0 | 123.3 | ||||
| 542 | E | 29.2 | Very low | 31 | Very low | 186 Ų | 186 | 141.7 Ų | 141.7 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 35.1 | 149.4 | 131.5 | -58 | -168.7 | -174.2 | 0 | 0 | 124.1 | ||||
| 543 | G | 27.6 | Very low | 30.3 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 162.7 | 87.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 544 | V | 28.1 | Very low | 29.9 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -85.5 | 161.5 | -178.2 | -163.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 545 | V | 26.6 | Very low | 29.8 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | 100 | 137.8 | 155.5 | -173.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 546 | A | 27.3 | Very low | 29.7 | Very low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 76.9 | 104.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 547 | L | 26 | Very low | 29.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | 51.3 | 109.3 | 101.7 | -172.5 | 78 | 0 | 0 | 0 | 119.3 | |||||
| 548 | R | 29.1 | Very low | 29.6 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | -163.3 | 154 | 108 | -112.8 | -170.2 | 178.2 | -129.6 | -5.4 | 115.5 | |||||
| 549 | E | 26.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -90.3 | 162.2 | 176.8 | -42.9 | 149.2 | 120.8 | 0 | 0 | 111.9 | ||||
| 550 | R | 28.6 | Very low | 29.6 | Very low | 221 Ų | 221 | 134.9 Ų | 134.9 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | 145.8 | 146.1 | 136.3 | -173 | 173.9 | -57.2 | -112.8 | -11 | 112.9 | ||||
| 551 | G | 29.3 | Very low | 29.5 | Very low | 55 Ų | 55 | 133.1 Ų | 133.1 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | trans | 87.5 | 97.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 552 | T | 28.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 45% | 0.448 | 74% | 0.742 | S | S | . | * | cis | 85.7 | 73.2 | 10.1 | 132.5 | 0 | 0 | 0 | 0 | 115.1 | T66 S67 C68 | T66-T552 HydrophobicContact CG2-CG2 4.16Å; T66-T552 WeakPolarHBondContact CG2-O 3.32Å; T66-T552 WeakPolarHBondContact CG2-OG1 3.26Å; T66-T552 VanDerWaalsContact OG1-CB 3.27Å; T66-T552 WeakPolarHBondContact OG1-CB 3.38Å; T66-T552 WeakPolarHBondContact OG1-CG2 3.49Å; T66-T552 PolarHBondContact OG1-OG1 2.86Å; S67-T552 WeakPolarHBondContact O-CA 3.47Å; S67-T552 PolarHBondContact O-N 3.4Å; C68-T552 PolarHBondContact SG-N 3.05Å; C68-T552 VanDerWaalsContact SG-N 3.4Å | ||
| 553 | D | 27.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 132 Ų | 132 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | -173.2 | 165.3 | 126.7 | -139.4 | -23.6 | 0 | 0 | 0 | 116.2 | T66 S67 C68 | T66-D553 HydrophobicContact CG2-CB 3.54Å; T66-D553 WeakPolarHBondContact CG2-OD1 3.47Å; S67-D553 WeakPolarHBondContact CB-O 3.47Å; C68-D553 PolarHBondContact SG-N 2.75Å; C68-D553 PolarHBondContact SG-O 3.07Å | |||
| 554 | S | 31.3 | Very low | 29.6 | Very low | 75 Ų | 75 | 134 Ų | 134 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -99.3 | 163.9 | -165 | -105.6 | 0 | 0 | 0 | 0 | 115.3 | S67 | S67-S554 VanDerWaalsContact CB-OG 3.25Å; S67-S554 WeakPolarHBondContact CB-OG 3.38Å; S67-S554 PolarHBondContact OG-OG 3.39Å |
| 555 | P | 36.8 | Very low | 29.6 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 144 | -158.3 | 35.1 | -36 | 0 | 0 | 0 | 116.3 | ||
| 556 | P | 31.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 156.7 | 164.7 | 33.5 | -34.2 | 0 | 0 | 0 | 112.3 | ||
| 557 | R | 31 | Very low | 29.8 | Very low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 146.4 | 174.6 | -65.4 | 171.9 | 171.3 | 171.9 | -4.2 | 111.1 | ||
| 558 | T | 29.3 | Very low | 30.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -128.7 | 113.8 | 152.3 | 43.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 559 | A | 28.2 | Very low | 30.1 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | 95.9 | 81.1 | 51.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 560 | T | 32.2 | Very low | 30.3 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -76.1 | 146.4 | 168.6 | -39.1 | 0 | 0 | 0 | 0 | 110.3 | V562 | T560-V562 HydrophobicContact CG2-CG2 4.25Š| ||
| 561 | T | 30.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | -123.1 | 136.1 | 166.1 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 562 | V | 29.9 | Very low | 30.1 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | trans | -131.1 | 141.2 | -173.7 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | T560 | T560-V562 HydrophobicContact CG2-CG2 4.25Š| ||
| 563 | R | 32.2 | Very low | 30.1 | Very low | 211 Ų | 211 | 130.6 Ų | 130.6 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -142.4 | 120.8 | 160.3 | -62.4 | -178.4 | 172.3 | 102.2 | -6.1 | 105.6 | ||||
| 564 | T | 30.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | 78.1 | 102.9 | 38 | -51.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 565 | I | 29 | Very low | 30.3 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -154.2 | 151.8 | 135.4 | -59.3 | -164.3 | 0 | 0 | 0 | 107.6 | ||||
| 566 | Q | 31.5 | Very low | 30 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -120.3 | 156.6 | 168.1 | -69.8 | -175.4 | -2.3 | 0 | 0 | 111.5 | ||||
| 567 | S | 26.9 | Very low | 29.9 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 69 | 150.2 | 154.9 | -67.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 568 | S | 31.4 | Very low | 30.2 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | cis | -159 | -179 | -1.7 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 569 | T | 28.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 79.7 | 127.7 | 143.3 | 34.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 570 | V | 30 | Very low | 31 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 86.3 | 147.8 | 146.2 | 175 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 571 | S | 27.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -108.8 | 177 | -160.8 | -42 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 572 | S | 27.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 91.8 | 118.8 | 150.2 | -56.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 573 | C | 29.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 26.5 | 126.6 | 151.3 | 60.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 574 | I | 31.5 | Very low | 33.6 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -157 | 155.7 | 133.5 | -113 | 160.3 | 0 | 0 | 0 | 113.2 | ||||
| 575 | T | 30.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 138 Ų | 138 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | trans | -47.2 | 143.3 | -174.1 | -52.5 | 0 | 0 | 0 | 0 | 117.6 | Y577 | T575-Y577 HydrophobicContact CG2-CD2 4.22Å; T575-Y577 HydrophobicContact CG2-CE2 4.44Å; T575-Y577 PolarHBondContact O-N 2.86Å | ||
| 576 | T | 31.5 | Very low | 35 | Very low | 143 Ų | 143 | 136 Ų | 136 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -67.1 | 81.6 | 169.7 | 39.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 577 | Y | 29.6 | Very low | 35.2 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 114 | 166.3 | -101.7 | -87 | 0 | 0 | 0 | 112 | T575 K579 | T575-Y577 HydrophobicContact CG2-CD2 4.22Å; T575-Y577 HydrophobicContact CG2-CE2 4.44Å; T575-Y577 PolarHBondContact O-N 2.86Å; Y577-K579 PolarHBondContact O-N 3.22Å | ||
| 578 | K | 35.8 | Very low | 35.7 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 91.9 | 169.5 | -113.8 | -172.1 | 178.4 | -179.6 | 0 | 110.1 | ||||
| 579 | K | 33 | Very low | 35.8 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 121.6 | 172.6 | -164.7 | 171.5 | -176.8 | 178 | 0 | 109.8 | Y577 | Y577-K579 PolarHBondContact O-N 3.22Š|
| 580 | T | 41.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 148.1 | 170.5 | 31.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 581 | P | 48.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 145.2 | 173.8 | 28.1 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 582 | P | 47.3 | Very low | 36.6 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147.9 | 176.2 | 28.8 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 583 | P | 44 | Very low | 37.2 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 132.8 | 178.2 | 28.8 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 584 | V | 40.2 | Very low | 37.2 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 130.9 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 585 | P | 46.1 | Very low | 37.2 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.3 | -179.9 | 27.3 | -34.7 | 0 | 0 | 0 | 112.4 | R587 | P585-R587 PolarHBondContact O-N 3.49Š|
| 586 | P | 43.5 | Very low | 37.4 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 129.2 | -178.8 | 28.3 | -34.4 | 0 | 0 | 0 | 111.8 | T588 | P586-T588 PolarHBondContact O-N 3.31Š|
| 587 | R | 35.5 | Very low | 37.3 | Very low | 246 Ų | 246 | 150.2 Ų | 150.2 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -80.2 | 102.2 | -176.7 | -170.1 | 177.4 | -170.1 | 160.5 | 2.8 | 111.1 | P585 | P585-R587 PolarHBondContact O-N 3.49Š| ||
| 588 | T | 36.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 143.7 | 171 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | P586 | P586-T588 PolarHBondContact O-N 3.31Š|
| 589 | T | 34.4 | Very low | 37.5 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 149.6 | 178.9 | 40.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 590 | P | 37.4 | Very low | 37.5 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 143.3 | -172.1 | 32.4 | -35.8 | 0 | 0 | 0 | 113.3 | ||
| 591 | S | 30.5 | Very low | 36.9 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -114.4 | 106.2 | 172.7 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 592 | K | 34.1 | Very low | 36.4 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | 16.1 | 116.9 | 157.9 | -58.4 | 179.6 | -179.1 | -177.8 | 0 | 117.8 | ||||
| 593 | P | 39.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 146.1 | 164 | 31.4 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 594 | F | 30.9 | Very low | 35.7 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.8 | 165.6 | -98.8 | -92.9 | 0 | 0 | 0 | 110.1 | ||
| 595 | I | 31.7 | Very low | 35.3 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135.6 | 174.3 | -61.2 | 164 | 0 | 0 | 0 | 108.8 | I597 | I595-I597 HydrophobicContact CG2-CG1 3.94Š|
| 596 | S | 32.7 | Very low | 34.7 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -123.3 | 129.2 | 163.2 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 597 | I | 30.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 145 Ų | 145 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -104.8 | 126.6 | -177.6 | -58.5 | 173.7 | 0 | 0 | 0 | 108.7 | I595 | I595-I597 HydrophobicContact CG2-CG1 3.94Š| ||
| 598 | T | 35.4 | Very low | 33.9 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -134 | 147.2 | 163.3 | 27 | 0 | 0 | 0 | 0 | 109 | ||||
| 599 | A | 33.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 139 Ų | 139 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -85.6 | 169.3 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 600 | Q | 33.6 | Very low | 33.3 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -81.7 | 145.9 | -176.7 | -55.6 | 164.9 | -88 | 0 | 0 | 113.1 | ||||
| 601 | S | 27.5 | Very low | 33 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -157.7 | 142 | 144.5 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 602 | S | 39.4 | Very low | 33 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | trans | -97.6 | -165.8 | -170.4 | -46.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 603 | T | 39.5 | Very low | 32.8 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | 76.3 | 165.8 | 169.3 | 73.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 604 | E | 36.5 | Very low | 32.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | cis | 177.7 | 145.1 | -33.1 | -172.6 | 152.9 | 124.7 | 0 | 0 | 106.6 | ||||
| 605 | S | 31.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | cis | -143 | -163.4 | 4.2 | -154 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 606 | A | 35.1 | Very low | 32.5 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 156.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 607 | Q | 29.8 | Very low | 32.5 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -178.7 | 163.5 | 133.6 | -102.9 | 169.3 | 15.6 | 0 | 0 | 113.8 | ||||
| 608 | D | 31.2 | Very low | 32.6 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 161.6 | 179.1 | -47.3 | -99.2 | 0 | 0 | 0 | 114.5 | ||||
| 609 | A | 31.9 | Very low | 32.4 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | 178.6 | 122.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 610 | Y | 25.5 | Very low | 32 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | 47.3 | 111.4 | 131.8 | -110.4 | -118.6 | 0 | 0 | 0 | 124.1 | ||||
| 611 | M | 32 | Very low | 32.1 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | 58 | 133 | 116.5 | -65.6 | -63.9 | -169.1 | 0 | 0 | 124.8 | |||||
| 612 | D | 31.6 | Very low | 32.2 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 158.2 | 137.3 | -160.5 | 26.4 | 0 | 0 | 0 | 120.6 | ||||
| 613 | G | 29.7 | Very low | 31.8 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 143.2 | 45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 614 | G | 31.3 | Very low | 31.4 | Very low | 62 Ų | 62 | 133.3 Ų | 133.3 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | -85.2 | -176.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 615 | S | 33.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 104 | 158.3 | 149.9 | 86.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 616 | S | 29.8 | Very low | 31.1 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | trans | 80.8 | 111.4 | 161.8 | -65.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 617 | Q | 33 | Very low | 31 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | 95.2 | 155.4 | 80.3 | -81.6 | -178 | 86.7 | 0 | 0 | 112.9 | |||||
| 618 | R | 33.6 | Very low | 30.9 | Very low | 216 Ų | 216 | 131.8 Ų | 131.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | cis | -177.2 | 127.9 | -25.8 | -175.5 | -173.4 | -146.6 | -172.7 | 8 | 109.3 | ||||
| 619 | A | 30 | Very low | 30.8 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | 59.5 | 168.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 620 | G | 27 | Very low | 30.9 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | 177 | 179.6 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 621 | I | 35.1 | Very low | 31.2 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | cis | -142.8 | -109.3 | 2.3 | 49.2 | 163.8 | 0 | 0 | 0 | 112.5 | ||||
| 622 | S | 30.1 | Very low | 31.5 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -121.4 | 149.3 | -166 | 54.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 623 | S | 29.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -168.6 | 163.5 | 132.8 | -84 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 624 | Q | 31.9 | Very low | 32.3 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -96.4 | 159.5 | -173.5 | -63.6 | -172.9 | -21.7 | 0 | 0 | 113.7 | ||||
| 625 | Q | 32.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 131 Ų | 131 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 144.3 | 130.5 | 102.1 | -161.3 | 164.1 | 29.6 | 0 | 0 | 113.8 | |||||
| 626 | G | 29.1 | Very low | 33.5 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | 124.5 | 107.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 627 | L | 32.3 | Very low | 34.7 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 99.7 | 142.2 | -51.6 | -179.6 | 0 | 0 | 0 | 121.3 | ||||
| 628 | S | 28.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 27 | 127 | 137 | -49.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 629 | N | 29.9 | Very low | 37.1 | Very low | 168 Ų | 168 | 124 Ų | 124 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | -167.2 | 157.3 | 102.4 | -88.5 | -33.3 | 0 | 0 | 0 | 112 | |||||
| 630 | S | 32.2 | Very low | 38.5 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -89.8 | 143.6 | -162.5 | -44.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 631 | T | 33.3 | Very low | 40.5 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | trans | -138.6 | 81.3 | 146.8 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 632 | E | 37.3 | Very low | 42 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 76% | 0.757 | 70% | 0.698 | S | S | * | * | trans | -78 | 131.4 | 170.3 | 65.5 | -162 | 105.5 | 0 | 0 | 110.3 | ||||
| 633 | S | 35.8 | Very low | 43.8 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | trans | -109.2 | 124.6 | 168.6 | -170.2 | 0 | 0 | 0 | 0 | 107.8 | D635 | S633-D635 PolarHBondContact O-N 2.88Š| ||
| 634 | I | 43.2 | Very low | 45.8 | Very low | 127 Ų | 127 | 116 Ų | 116 | 65% | 0.651 | 67% | 0.67 | S | S | * | * | trans | -82.9 | 104.9 | -165.6 | -58.4 | 175.3 | 0 | 0 | 0 | 109.8 | S636 | I634-S636 PolarHBondContact O-N 3.3Š| ||
| 635 | D | 48.6 | Very low | 47.4 | Very low | 79 Ų | 79 | 114.2 Ų | 114.2 | 42% | 0.422 | 66% | 0.661 | S | S | . | * | trans | -76.5 | 86.6 | 175.9 | -168.9 | -10.9 | 0 | 0 | 0 | 110.2 | S633 M637 K638 A639 | S633-D635 PolarHBondContact O-N 2.88Å; D635-M637 PolarHBondContact O-N 2.96Å; D635-K638 HydrophobicContact CB-CD 4.26Å; D635-K638 PolarHBondContact O-N 2.73Å; D635-K638 VanDerWaalsContact OD2-CD 3.3Å; D635-K638 WeakPolarHBondContact OD2-CD 3.46Å; D635-K638 WeakPolarHBondContact OD2-CE 3.47Å; D635-K638 IonicContact OD2-NZ 3.81Å; D635-K638 PolarHBondContact OD2-NZ 2.83Å; D635-A639 PolarHBondContact O-N 2.81Å | ||
| 636 | S | 41.3 | Very low | 48.9 | Very low | 92 Ų | 92 | 108 Ų | 108 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -49.6 | -31.2 | -169.1 | -56.4 | 0 | 0 | 0 | 0 | 114.8 | I634 L640 | I634-S636 PolarHBondContact O-N 3.3Å; S636-L640 PolarHBondContact O-N 3.11Å; S636-L640 VanDerWaalsContact O-N 3.16Å |
| 637 | M | 54 | Low | 50.2 | Low | 146 Ų | 146 | 107.4 Ų | 107.4 | 72% | 0.719 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.5 | -40.1 | -178 | -150.2 | 173.1 | -62.8 | 0 | 0 | 111.5 | D635 L640 T641 | D635-M637 PolarHBondContact O-N 2.96Å; M637-L640 PolarHBondContact O-N 2.76Å; M637-T641 PolarHBondContact O-N 3.47Å; M637-T641 PolarHBondContact O-OG1 3.24Å; M637-T641 VanDerWaalsContact O-OG1 3.11Å |
| 638 | K | 54.3 | Low | 50.8 | Low | 145 Ų | 145 | 104.4 Ų | 104.4 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.8 | -37.5 | 176.4 | -68 | 175 | -176.8 | 141.3 | 0 | 111.9 | D635 L640 T641 A642 | D635-K638 HydrophobicContact CB-CD 4.26Å; D635-K638 PolarHBondContact O-N 2.73Å; D635-K638 VanDerWaalsContact OD2-CD 3.3Å; D635-K638 WeakPolarHBondContact OD2-CD 3.46Å; D635-K638 WeakPolarHBondContact OD2-CE 3.47Å; D635-K638 IonicContact OD2-NZ 3.81Å; D635-K638 PolarHBondContact OD2-NZ 2.83Å; K638-L640 VanDerWaalsContact C-N 3.34Å; K638-T641 PolarHBondContact O-N 2.81Å; K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.39Å; K638-A642 PolarHBondContact O-N 3.43Å |
| 639 | A | 63.4 | Low | 51.7 | Low | 54 Ų | 54 | 102.7 Ų | 102.7 | 45% | 0.446 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.2 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D635 A643 | D635-A639 PolarHBondContact O-N 2.81Å; A639-A643 WeakPolarHBondContact O-CB 3.4Å; A639-A643 PolarHBondContact O-N 3.29Å |
| 640 | L | 60.3 | Low | 52.7 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67 | -45 | 175.9 | -178.2 | 60 | 0 | 0 | 0 | 112.2 | S636 M637 K638 A643 I644 | S636-L640 PolarHBondContact O-N 3.11Å; S636-L640 VanDerWaalsContact O-N 3.16Å; M637-L640 PolarHBondContact O-N 2.76Å; K638-L640 VanDerWaalsContact C-N 3.34Å; L640-A643 PolarHBondContact O-N 3.16Å; L640-I644 HydrophobicContact CD1-CD1 4Å; L640-I644 HydrophobicContact CD1-CG1 4.42Å; L640-I644 HydrophobicContact CG-CD1 4.01Å; L640-I644 WeakPolarHBondContact O-CG1 3.5Å; L640-I644 PolarHBondContact O-N 3.24Å |
| 641 | T | 68 | Low | 53.5 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.9 | -48.6 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | M637 K638 A643 I644 E645 | M637-T641 PolarHBondContact O-N 3.47Å; M637-T641 PolarHBondContact O-OG1 3.24Å; M637-T641 VanDerWaalsContact O-OG1 3.11Å; K638-T641 PolarHBondContact O-N 2.81Å; T641-A643 VanDerWaalsContact C-N 3.31Å; T641-A643 PolarHBondContact O-N 2.9Å; T641-I644 PolarHBondContact O-N 3.17Å; T641-E645 WeakPolarHBondContact O-CB 3.39Å; T641-E645 PolarHBondContact O-N 3.27Å |
| 642 | A | 66 | Low | 54.3 | Low | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.7 | -33.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K638 A646 | K638-A642 VanDerWaalsContact O-CB 3.31Å; K638-A642 WeakPolarHBondContact O-CB 3.39Å; K638-A642 PolarHBondContact O-N 3.43Å; A642-A646 WeakPolarHBondContact O-CB 3.49Å; A642-A646 PolarHBondContact O-N 3.02Å |
| 643 | A | 68.8 | Low | 54.1 | Low | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A639 L640 T641 A647 | A639-A643 WeakPolarHBondContact O-CB 3.4Å; A639-A643 PolarHBondContact O-N 3.29Å; L640-A643 PolarHBondContact O-N 3.16Å; T641-A643 VanDerWaalsContact C-N 3.31Å; T641-A643 PolarHBondContact O-N 2.9Å; A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 2.95Å |
| 644 | I | 70.7 | Confident | 54 | Low | 92 Ų | 92 | 100.3 Ų | 100.3 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.4 | -40.8 | 176 | -67.1 | 166.1 | 0 | 0 | 0 | 110.8 | L640 T641 A647 N648 | L640-I644 HydrophobicContact CD1-CD1 4Å; L640-I644 HydrophobicContact CD1-CG1 4.42Å; L640-I644 HydrophobicContact CG-CD1 4.01Å; L640-I644 WeakPolarHBondContact O-CG1 3.5Å; L640-I644 PolarHBondContact O-N 3.24Å; T641-I644 PolarHBondContact O-N 3.17Å; I644-A647 PolarHBondContact O-N 2.78Å; I644-N648 PolarHBondContact O-N 3.13Å; I644-N648 PolarHBondContact O-ND2 3.49Å |
| 645 | E | 66.6 | Low | 53.9 | Low | 136 Ų | 136 | 99.2 Ų | 99.2 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -43.3 | 176.6 | -169.8 | 168.5 | -161.7 | 0 | 0 | 111.6 | T641 A647 N648 A649 | T641-E645 WeakPolarHBondContact O-CB 3.39Å; T641-E645 PolarHBondContact O-N 3.27Å; E645-A647 PolarHBondContact O-N 2.74Å; E645-N648 PolarHBondContact O-N 3.49Å; E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.91Å |
| 646 | A | 63.4 | Low | 53.2 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.4 | -35.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A642 Q650 | A642-A646 WeakPolarHBondContact O-CB 3.49Å; A642-A646 PolarHBondContact O-N 3.02Å; A646-Q650 PolarHBondContact O-N 3.41Å |
| 647 | A | 55.7 | Low | 52.9 | Low | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A643 I644 E645 A649 Q650 | A643-A647 WeakPolarHBondContact O-CB 3.38Å; A643-A647 PolarHBondContact O-N 2.95Å; I644-A647 PolarHBondContact O-N 2.78Å; E645-A647 PolarHBondContact O-N 2.74Å; A647-A649 VanDerWaalsContact C-N 3.33Å; A647-A649 PolarHBondContact O-N 3.03Å; A647-Q650 PolarHBondContact O-N 3.46Å |
| 648 | N | 44.5 | Very low | 51.7 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -37 | 175.4 | -74 | -23.2 | 0 | 0 | 0 | 112.1 | I644 E645 Q650 V651 | I644-N648 PolarHBondContact O-N 3.13Å; I644-N648 PolarHBondContact O-ND2 3.49Å; E645-N648 PolarHBondContact O-N 3.49Å; N648-Q650 PolarHBondContact O-N 2.93Å; N648-V651 PolarHBondContact O-N 3.37Å |
| 649 | A | 47.9 | Very low | 50.5 | Low | 69 Ų | 69 | 104.7 Ų | 104.7 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.4 | -21.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E645 A647 | E645-A649 WeakPolarHBondContact O-CB 3.48Å; E645-A649 PolarHBondContact O-N 2.91Å; A647-A649 VanDerWaalsContact C-N 3.33Å; A647-A649 PolarHBondContact O-N 3.03Å |
| 650 | Q | 51.9 | Low | 49 | Very low | 173 Ų | 173 | 107.6 Ų | 107.6 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -12 | 174.4 | -69.4 | -174.6 | 10.2 | 0 | 0 | 114 | A646 A647 N648 | A646-Q650 PolarHBondContact O-N 3.41Å; A647-Q650 PolarHBondContact O-N 3.46Å; N648-Q650 PolarHBondContact O-N 2.93Å |
| 651 | V | 49.2 | Very low | 47.4 | Very low | 106 Ų | 106 | 108.9 Ų | 108.9 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -28.3 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | N648 | N648-V651 PolarHBondContact O-N 3.37Š|
| 652 | H | 49.1 | Very low | 45.6 | Very low | 176 Ų | 176 | 110 Ų | 110 | 82% | 0.815 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -133.9 | 61.7 | 177.8 | -78.9 | -59.3 | 0 | 0 | 0 | 113.8 | ||
| 653 | G | 33.6 | Very low | 43.8 | Very low | 59 Ų | 59 | 113.1 Ų | 113.1 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -76.7 | 139.2 | 160 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 654 | P | 34.7 | Very low | 41.9 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 84% | 0.844 | 69% | 0.691 | S | S | * | * | trans | -75.7 | 136.4 | -176.8 | 30 | -34.9 | 0 | 0 | 0 | 112.7 | S656 | P654-S656 PolarHBondContact O-N 3.22Š| ||
| 655 | A | 39.4 | Very low | 39.8 | Very low | 104 Ų | 104 | 118.5 Ų | 118.5 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | trans | -80.4 | 111.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 656 | S | 33.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | trans | -136.8 | 95.1 | 165.3 | -170.8 | 0 | 0 | 0 | 0 | 107.9 | P654 | P654-S656 PolarHBondContact O-N 3.22Š| ||
| 657 | Q | 36 | Very low | 36.5 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | 53.8 | 102.9 | 88 | -65.7 | -161.8 | 10.2 | 0 | 0 | 113.8 | |||||
| 658 | H | 29.1 | Very low | 35.3 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -148.3 | 95.3 | 151.2 | -170.5 | -89.7 | 0 | 0 | 0 | 112.9 | ||||
| 659 | V | 29.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | trans | 68.7 | 147.1 | 145.2 | -177.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 660 | T | 31 | Very low | 33.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -90 | -170.5 | -176.5 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 661 | N | 27.2 | Very low | 32.8 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 107.2 | 107.3 | 164.1 | -50.3 | -17.2 | 0 | 0 | 0 | 111.8 | ||||
| 662 | S | 29.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | 89 | 132.9 | 52.1 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 663 | T | 26.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 122 Ų | 122 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 86.4 | 102.6 | 155.9 | -51 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 664 | I | 30.4 | Very low | 31 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 29.9 | 126.4 | 131.8 | -30.8 | 170.5 | 0 | 0 | 0 | 119 | ||||
| 665 | T | 26.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | 159.5 | 120.5 | 111.9 | -57.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 666 | I | 30.4 | Very low | 30.9 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | 7.8 | 134.2 | 135.4 | -39.5 | 171.6 | 0 | 0 | 0 | 115.8 | ||||
| 667 | T | 29.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | -172.6 | 157.9 | 85.9 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 668 | A | 30.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | -83.1 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 669 | T | 30.6 | Very low | 31.5 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -135.2 | 139.7 | 160.8 | -40.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 670 | A | 30.8 | Very low | 31.7 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -149.7 | 140 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 671 | T | 30.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -146.4 | 113.2 | 176.3 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 672 | T | 28.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 46.1 | 138.6 | 133.2 | 58 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 673 | S | 29.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | -177.3 | 142.3 | -5.9 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 674 | V | 34.4 | Very low | 32.4 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | 56.4 | 113.1 | 143.8 | 177.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 675 | T | 36.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | cis | -150.6 | -172.6 | 31.4 | -2.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 676 | A | 35.3 | Very low | 33.1 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | cis | -139.7 | -114.9 | 16.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 677 | D | 39.3 | Very low | 33.2 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -136.8 | 165.2 | -154.9 | -166.7 | 13.2 | 0 | 0 | 0 | 114.5 | ||||
| 678 | S | 36.4 | Very low | 33.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | 92.5 | 91.5 | 161.6 | 70.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 679 | K | 37.3 | Very low | 33.2 | Very low | 216 Ų | 216 | 141.6 Ų | 141.6 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | 29.1 | 132.1 | 145.6 | -81.4 | -177.6 | 173.3 | 177.5 | 0 | 123.1 | ||||
| 680 | A | 33.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -148.9 | 165.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 681 | Q | 29.7 | Very low | 33.4 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -108.6 | 165.8 | -164.4 | -175.7 | 171.8 | -18.7 | 0 | 0 | 114.9 | E683 | Q681-E683 PolarHBondContact NE2-OE2 3.05Š| ||
| 682 | R | 37.5 | Very low | 33.3 | Very low | 241 Ų | 241 | 140.5 Ų | 140.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -149.7 | 148.5 | 176 | -71.8 | -179.3 | 175.4 | 162 | -2.6 | 113 | ||||
| 683 | E | 30.6 | Very low | 33.7 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -164.3 | 157.6 | 163.8 | -95.7 | 145.8 | 152.1 | 0 | 0 | 107.6 | Q681 | Q681-E683 PolarHBondContact NE2-OE2 3.05Š| ||
| 684 | A | 31.2 | Very low | 33.5 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | cis | -155.9 | 142.9 | -23.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 685 | L | 37.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | 56.5 | 143.5 | 64.2 | -51.8 | -166 | 0 | 0 | 0 | 114 | |||||
| 686 | R | 34.5 | Very low | 33 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | cis | -160 | -176.4 | -23.2 | -133.5 | -178.1 | -70.1 | -118.1 | 4.4 | 106 | ||||
| 687 | K | 31.1 | Very low | 34.1 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | cis | -154.2 | -175.1 | 22.3 | -117.3 | -156.7 | 172.2 | -175.9 | 0 | 106.6 | ||||
| 688 | C | 31.2 | Very low | 33.6 | Very low | 93 Ų | 93 | 146 Ų | 146 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | cis | 83.5 | 133.4 | 16.1 | -46.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 689 | L | 30.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | cis | -174.8 | 166 | -12.4 | -80.5 | -171.4 | 0 | 0 | 0 | 105.5 | ||||
| 690 | S | 30.5 | Very low | 32.9 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | cis | -175.1 | 160.8 | -12.4 | -95.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 691 | I | 33.7 | Very low | 32.7 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | trans | 71.8 | 135.3 | 156.8 | -65.5 | 158.2 | 0 | 0 | 0 | 120.2 | ||||
| 692 | G | 29.6 | Very low | 33.6 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 170.9 | 145.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 693 | I | 37.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 133 Ų | 133 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -141.2 | 162.2 | -175.9 | -64.7 | 176.6 | 0 | 0 | 0 | 110 | ||||
| 694 | Q | 25.7 | Very low | 33.3 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 96.3 | 139.4 | 162.9 | -155.5 | 171.6 | -14.6 | 0 | 0 | 115 | ||||
| 695 | V | 32.5 | Very low | 33.4 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | -172.9 | 147.6 | -30.6 | 122.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 696 | D | 27.7 | Very low | 33.1 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 62.8 | 171.3 | 162.6 | -75 | 7.6 | 0 | 0 | 0 | 119.2 | ||||
| 697 | P | 58.3 | Low | 33.1 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | -141.2 | -160.1 | -66.9 | 40.6 | -20.7 | 0 | 0 | 0 | 114.2 | |||||
| 698 | E | 29.3 | Very low | 33.2 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | 78.9 | 146.2 | 160.6 | -66.7 | -34.3 | 118.2 | 0 | 0 | 124.3 | ||||
| 699 | E | 29.2 | Very low | 33.1 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 33 | 143.9 | 153.1 | -64.3 | -162 | 116.3 | 0 | 0 | 124.4 | ||||
| 700 | G | 28.4 | Very low | 33.2 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | trans | 112.1 | 102.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 701 | G | 30.8 | Very low | 33.4 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | -77.5 | -170 | 150.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 702 | P | 48.8 | Very low | 33.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | cis | -139.8 | 176.6 | 22.1 | 38.8 | -19.8 | 0 | 0 | 0 | 116.2 | ||||
| 703 | T | 29.6 | Very low | 33.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | 63.3 | 155.7 | 152.8 | 38.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 704 | D | 32.2 | Very low | 33.5 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | cis | -151.7 | 174.1 | 9.9 | -138.1 | -31.7 | 0 | 0 | 0 | 112.6 | ||||
| 705 | E | 32.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | 52.2 | 150.9 | 152.4 | -64 | -152.1 | 121.6 | 0 | 0 | 121.9 | ||||
| 706 | Q | 32.7 | Very low | 34.1 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | cis | -166.3 | 152.9 | -29.9 | -116.6 | -159.3 | 69.9 | 0 | 0 | 108 | ||||
| 707 | S | 34.5 | Very low | 34.4 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 66.3 | 142.9 | 158.3 | -80.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 708 | K | 31.8 | Very low | 33.2 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | cis | -162.7 | -168.1 | -8.3 | -135.1 | 169.7 | -175.8 | 166.8 | 0 | 111.7 | ||||
| 709 | F | 30.4 | Very low | 33.4 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | trans | 79 | 123.1 | 178.2 | -49.1 | -70.1 | 0 | 0 | 0 | 113.5 | ||||
| 710 | Q | 33.1 | Very low | 33.6 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | cis | -160.6 | 122.4 | 0.1 | -168.7 | 153 | -9.5 | 0 | 0 | 107.4 | ||||
| 711 | S | 33.2 | Very low | 33.8 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 55% | 0.545 | 72% | 0.716 | S | S | . | * | cis | 67.9 | 119.6 | 39.9 | 86.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 712 | I | 35 | Very low | 33.8 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -153.5 | 160 | 25.3 | -77.5 | 112.7 | 0 | 0 | 0 | 106.9 | I714 | I712-I714 HydrophobicContact CG2-CD1 3.67Å; I712-I714 HydrophobicContact CG2-CG1 3.9Å | ||
| 713 | G | 31.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 145.4 Ų | 145.4 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | cis | 127.2 | -172.8 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 714 | I | 37.9 | Very low | 33.1 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | 73.7 | 147 | 167.3 | -61.6 | 165.4 | 0 | 0 | 0 | 115.7 | I712 | I712-I714 HydrophobicContact CG2-CD1 3.67Å; I712-I714 HydrophobicContact CG2-CG1 3.9Å | ||
| 715 | Q | 32.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 153.5 Ų | 153.5 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | cis | -165.4 | -177.1 | -36.8 | -164.9 | 153.9 | -0.5 | 0 | 0 | 103.6 | E717 | Q715-E717 PolarHBondContact NE2-OE2 3.15Š| ||
| 716 | V | 36.3 | Very low | 32.8 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | cis | -153.3 | 142.3 | 22.5 | -162.3 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 717 | E | 35.8 | Very low | 32.8 | Very low | 156 Ų | 156 | 156.1 Ų | 156.1 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | cis | 75.2 | 165.9 | 43.6 | -150.8 | 162 | -144.9 | 0 | 0 | 113.7 | Q715 | Q715-E717 PolarHBondContact NE2-OE2 3.15Š| ||
| 718 | D | 32.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 71.1 | 151.5 | -166.9 | -64.4 | -5.7 | 0 | 0 | 0 | 118.6 | ||||
| 719 | D | 33.5 | Very low | 32.5 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | -165.2 | 154.5 | -60.7 | -153.3 | -4.5 | 0 | 0 | 0 | 109.9 | |||||
| 720 | R | 32.7 | Very low | 32.6 | Very low | 227 Ų | 227 | 151.9 Ų | 151.9 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | 133.7 | 146.9 | 157.9 | -80.6 | 159.6 | -77.6 | -146.6 | -10.5 | 114 | ||||
| 721 | C | 34 | Very low | 32.5 | Very low | 92 Ų | 92 | 149.9 Ų | 149.9 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | cis | 154.7 | 120.4 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 722 | Y | 28.9 | Very low | 32.6 | Very low | 214 Ų | 214 | 151 Ų | 151 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | 159.2 | 142.7 | 135.9 | -100.5 | -76.3 | 0 | 0 | 0 | 114.3 | ||||
| 723 | R | 31.2 | Very low | 32.6 | Very low | 239 Ų | 239 | 150.6 Ų | 150.6 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | 51.8 | 131.5 | 164.5 | -79.8 | -167.8 | 179.2 | -139.3 | 1.3 | 121.1 | ||||
| 724 | R | 33.6 | Very low | 32.5 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -61.6 | 142.4 | 158.3 | -74.1 | 171 | -97 | 156.6 | -8.3 | 111.8 | ||||
| 725 | M | 26.4 | Very low | 32.2 | Very low | 178 Ų | 178 | 150 Ų | 150 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -147.7 | 141.1 | 135.7 | -167.5 | 59.6 | 88 | 0 | 0 | 110.3 | ||||
| 726 | T | 32.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -92.6 | 138.9 | 170.5 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 727 | R | 31.4 | Very low | 31.7 | Very low | 239 Ų | 239 | 150.6 Ų | 150.6 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | 167.4 | 158.8 | 119.5 | -94.5 | 175.9 | 169.9 | -128.9 | -4.7 | 112.9 | |||||
| 728 | S | 33 | Very low | 31.2 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -52.1 | 148.5 | 160.2 | -33.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 729 | N | 28 | Very low | 31.1 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | -166.1 | 167.5 | 103.1 | -96.1 | -8 | 0 | 0 | 0 | 112.4 | |||||
| 730 | S | 31.6 | Very low | 30.8 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -65.5 | -176.2 | 160.8 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 731 | V | 32.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | 74.7 | 128.7 | 163.1 | 164.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 732 | T | 33.4 | Very low | 31.5 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 63% | 0.632 | 78% | 0.78 | S | S | * | * | cis | -169.3 | 177.6 | 0.2 | 24.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 733 | T | 35.1 | Very low | 31.6 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 68.8 | 164.4 | 142.5 | 43.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 734 | A | 30.6 | Very low | 31.7 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -129.5 | 172.3 | -2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 735 | V | 30.1 | Very low | 32.1 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | cis | -136.1 | 154 | 46.9 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 736 | Q | 31.1 | Very low | 33.4 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -50.9 | 163.8 | 172.5 | -49.3 | 109.2 | -91.9 | 0 | 0 | 114.1 | ||||
| 737 | A | 27.3 | Very low | 33.3 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -148.9 | 170.3 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 738 | D | 26.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -99.6 | 176.1 | 162.7 | -175.2 | 18.2 | 0 | 0 | 0 | 109 | ||||
| 739 | L | 30.3 | Very low | 34 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 144.7 | 179.8 | -53.2 | 152.9 | 0 | 0 | 0 | 114.3 | ||||
| 740 | D | 27.8 | Very low | 34.1 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | cis | -136.4 | 153.9 | 8.5 | -85.2 | -59.3 | 0 | 0 | 0 | 112.8 | ||||
| 741 | D | 34.3 | Very low | 33.9 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | -95.9 | 137.4 | 154.4 | -164 | -97.6 | 0 | 0 | 0 | 105.6 | ||||
| 742 | P | 45.7 | Very low | 33.8 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | -161.2 | 175 | 82.5 | 42.7 | -21.5 | 0 | 0 | 0 | 119.7 | |||||
| 743 | A | 32.6 | Very low | 33.4 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | 75 | 143 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 744 | D | 33.5 | Very low | 33 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | cis | -120.8 | 168.3 | 15.2 | -142.7 | -23.7 | 0 | 0 | 0 | 114.5 | ||||
| 745 | A | 41 | Very low | 32.8 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | trans | -98.2 | -171.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 746 | P | 54.4 | Low | 33 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -144.8 | -172.5 | 4.1 | 45.1 | -25.5 | 0 | 0 | 0 | 118.5 | ||||
| 747 | E | 29.5 | Very low | 33 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 94.8 | 172.5 | 149.7 | -85.5 | -175.7 | 162.4 | 0 | 0 | 123.4 | ||||
| 748 | L | 36 | Very low | 32.9 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -137.9 | 179.7 | -139.8 | -85 | 168.3 | 0 | 0 | 0 | 111.7 | ||||
| 749 | P | 42.5 | Very low | 33.1 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -141.9 | 162.6 | -26.3 | 35.6 | -16.1 | 0 | 0 | 0 | 117.8 | ||||
| 750 | H | 30.6 | Very low | 32.8 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | 54.3 | 125.4 | 138.3 | -82.9 | 57.5 | 0 | 0 | 0 | 125.5 | Q752 | H750-Q752 PolarHBondContact CD2-NE2 2.97Š| ||
| 751 | R | 26.8 | Very low | 32.5 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | 178.3 | 136.2 | 101.1 | -91.7 | -160.1 | 120.7 | 166.5 | -1.7 | 110.9 | Y753 | R751-Y753 PolarHBondContact NH2-OH 3.49Š| |||
| 752 | Q | 31.7 | Very low | 32.2 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 48% | 0.477 | 76% | 0.755 | S | S | . | * | 65.7 | 125.5 | 66.4 | -63.1 | 173.5 | -2.6 | 0 | 0 | 113.4 | H750 | H750-Q752 PolarHBondContact CD2-NE2 2.97Š| |||
| 753 | Y | 25 | Very low | 31.3 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | cis | -148.7 | 161.2 | 5.7 | -44.9 | -97.2 | 0 | 0 | 0 | 108.4 | R751 | R751-Y753 PolarHBondContact NH2-OH 3.49Š| ||
| 754 | A | 25.9 | Very low | 31 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | cis | 94.7 | 117.9 | 13.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 755 | T | 27.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | 142.9 | 137.9 | 157.4 | -63.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 756 | M | 32.4 | Very low | 30.2 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -110.2 | 157.7 | 169.7 | -70.6 | -94.9 | -75.1 | 0 | 0 | 111.7 | ||||
| 757 | P | 32.1 | Very low | 28.8 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | -120.3 | 103.2 | 163.3 | 35.6 | -23.1 | 0 | 0 | 0 | 115.5 | ||||
| 758 | R | 25.3 | Very low | 28.9 | Very low | 212 Ų | 212 | 140.4 Ų | 140.4 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 44.9 | 110.5 | 134.6 | -55 | 179.8 | 104.3 | 139.2 | 3.7 | 121.3 | ||||
| 759 | Q | 29.9 | Very low | 28.7 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -1.3 | 136.3 | 123.7 | -56.2 | 166.4 | -53.3 | 0 | 0 | 118.1 | |||||
| 760 | H | 24.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | -173.1 | 166.3 | 126.9 | -72.7 | 121.9 | 0 | 0 | 0 | 108 | |||||
| 761 | S | 21.9 | Very low | 28.1 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -175.5 | 135.2 | -44.4 | -165.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 762 | R | 28.5 | Very low | 28.4 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | 83.7 | 121.1 | 143.4 | -157.1 | 170.2 | -172.4 | 169.7 | 4.8 | 123.3 | ||||
| 763 | D | 26.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | 47.3 | 135.5 | 143.1 | -46.9 | -11.9 | 0 | 0 | 0 | 125.4 | ||||
| 764 | A | 26.1 | Very low | 28.7 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | 109 | 144.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 765 | A | 27.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 75.1 | 99 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 766 | T | 29.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -3.3 | 126.7 | 135.2 | 52.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 767 | S | 25.5 | Very low | 28.9 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 175.9 | 146.8 | 114 | -79.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 768 | T | 32.2 | Very low | 28.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 36 | 116.5 | 146.9 | 60.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 769 | V | 30.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 7.4 | 126.9 | 133.8 | -178.1 | 0 | 0 | 0 | 0 | 118.1 | I771 | V769-I771 HydrophobicContact CG1-CG1 4.38Š| ||
| 770 | S | 29.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 124.3 | 145.7 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 771 | I | 31.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | trans | -93.3 | 125.1 | 171.8 | -64.8 | 175.9 | 0 | 0 | 0 | 107.7 | V769 | V769-I771 HydrophobicContact CG1-CG1 4.38Š| ||
| 772 | Q | 32.4 | Very low | 29.9 | Very low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -129.4 | 97.7 | 169.4 | -174.9 | 168.1 | -16.7 | 0 | 0 | 109.8 | ||||
| 773 | G | 29.7 | Very low | 30.1 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -94.9 | 118 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 774 | S | 33.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -164.6 | 137.7 | 171 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 775 | G | 28.1 | Very low | 30.7 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 97 | 109.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | H777 | G775-H777 PolarHBondContact O-N 2.98Š| ||
| 776 | N | 33.5 | Very low | 31 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -73.5 | 112.9 | 164.1 | -62.8 | -28 | 0 | 0 | 0 | 109 | ||||
| 777 | H | 29 | Very low | 31.1 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -148.1 | 119.1 | 166.5 | -148.3 | 52.5 | 0 | 0 | 0 | 111.4 | G775 H779 | G775-H777 PolarHBondContact O-N 2.98Å; H777-H779 AromaticContact CD2-CD2 3.73Å; H777-H779 AromaticContact NE2-CD2 3.68Å | ||
| 778 | Y | 28.6 | Very low | 31.8 | Very low | 230 Ų | 230 | 137.7 Ų | 137.7 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 121.3 | 170.9 | -73.5 | -92 | 0 | 0 | 0 | 108.7 | ||||
| 779 | H | 29.6 | Very low | 31.9 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | -134 | 113.1 | 162.4 | -115.6 | -86.7 | 0 | 0 | 0 | 108.8 | H777 | H777-H779 AromaticContact CD2-CD2 3.73Å; H777-H779 AromaticContact NE2-CD2 3.68Å | ||
| 780 | A | 34.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -80.8 | 123.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 781 | C | 29.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -138.9 | 150.9 | 164.8 | -78.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 782 | A | 32.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -110.3 | 169.2 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 783 | A | 31.3 | Very low | 34 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 80.6 | 123.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 784 | D | 32 | Very low | 34.9 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 76.6 | 138.6 | 142.3 | -57.9 | -22.3 | 0 | 0 | 0 | 124.1 | ||||
| 785 | E | 33.8 | Very low | 35.5 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 37.8 | 102 | 161.3 | -63.2 | -168.7 | 124.1 | 0 | 0 | 120.3 | ||||
| 786 | Y | 34.1 | Very low | 36.1 | Very low | 240 Ų | 240 | 136.9 Ų | 136.9 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | -146.6 | 143.9 | 117.3 | -127.1 | -90.3 | 0 | 0 | 0 | 110.5 | |||||
| 787 | G | 30.8 | Very low | 36.9 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | -104.9 | 178.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 788 | D | 39.6 | Very low | 37.8 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 50.6 | 92.3 | 164.9 | -166.7 | 20.4 | 0 | 0 | 0 | 118.8 | G790 | D788-G790 PolarHBondContact OD1-N 3.41Š| ||
| 789 | V | 35.8 | Very low | 38.8 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -134.3 | 108.3 | 132.1 | -84 | 0 | 0 | 0 | 0 | 109 | F791 | V789-F791 PolarHBondContact O-N 2.88Š| ||
| 790 | G | 44.2 | Very low | 39.2 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | -60 | 104.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D788 | D788-G790 PolarHBondContact OD1-N 3.41Š| ||
| 791 | F | 37.3 | Very low | 40.3 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -103.1 | 117.4 | 166 | -99 | -94.4 | 0 | 0 | 0 | 109.6 | V789 P793 | V789-F791 PolarHBondContact O-N 2.88Å; F791-P793 VanDerWaalsContact O-CD 3.28Å; F791-P793 WeakPolarHBondContact O-CD 3.23Å | ||
| 792 | D | 42.7 | Very low | 41.3 | Very low | 84 Ų | 84 | 126 Ų | 126 | 45% | 0.449 | 73% | 0.728 | S | S | . | * | trans | -75.5 | 115.5 | 178.8 | 179.1 | 15 | 0 | 0 | 0 | 111.3 | S794 I795 | D792-S794 PolarHBondContact O-N 3.19Å; D792-S794 WeakPolarHBondContact OD1-CB 3.48Å; D792-S794 PolarHBondContact OD1-N 2.92Å; D792-S794 PolarHBondContact OD1-OG 3.4Å; D792-I795 HydrophobicContact CB-CD1 4.15Å; D792-I795 HydrophobicContact CB-CG1 4.49Å; D792-I795 WeakPolarHBondContact OD2-CG1 3.35Å | ||
| 793 | P | 44.5 | Very low | 41.5 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -68.2 | -20.7 | 176.6 | -17.1 | 32.7 | 0 | 0 | 0 | 113.1 | F791 I795 L796 | F791-P793 VanDerWaalsContact O-CD 3.28Å; F791-P793 WeakPolarHBondContact O-CD 3.23Å; P793-I795 PolarHBondContact O-N 3.29Å; P793-I795 VanDerWaalsContact O-N 3.15Å; P793-L796 PolarHBondContact O-N 2.89Å |
| 794 | S | 48.7 | Very low | 42 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -69.3 | -13.2 | -169.6 | -40.7 | 0 | 0 | 0 | 0 | 114.3 | D792 | D792-S794 PolarHBondContact O-N 3.19Å; D792-S794 WeakPolarHBondContact OD1-CB 3.48Å; D792-S794 PolarHBondContact OD1-N 2.92Å; D792-S794 PolarHBondContact OD1-OG 3.4Å |
| 795 | I | 44.9 | Very low | 42.2 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -90.2 | -15.1 | -175.9 | -60.2 | 172.6 | 0 | 0 | 0 | 111.8 | D792 P793 | D792-I795 HydrophobicContact CB-CD1 4.15Å; D792-I795 HydrophobicContact CB-CG1 4.49Å; D792-I795 WeakPolarHBondContact OD2-CG1 3.35Å; P793-I795 PolarHBondContact O-N 3.29Å; P793-I795 VanDerWaalsContact O-N 3.15Å |
| 796 | L | 41.9 | Very low | 42.2 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -85.8 | 141.3 | 179.2 | -63.8 | 179.8 | 0 | 0 | 0 | 111.7 | P793 | P793-L796 PolarHBondContact O-N 2.89Š|
| 797 | P | 48.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 118.9 Ų | 118.9 | 69% | 0.688 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.5 | 164.2 | 29.9 | -34.2 | 0 | 0 | 0 | 109.5 | ||
| 798 | P | 49.6 | Very low | 43 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137 | -179.4 | 23.9 | -34 | 0 | 0 | 0 | 110.6 | D800 | P798-D800 PolarHBondContact O-N 3.06Š|
| 799 | P | 49.6 | Very low | 43.2 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 137.2 | -175.1 | 25.3 | -33.9 | 0 | 0 | 0 | 111.4 | P801 | P799-P801 WeakPolarHBondContact O-CD 3.29Š|
| 800 | D | 37.5 | Very low | 43.4 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 57% | 0.572 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 121.3 | -174.4 | -133.6 | 4.6 | 0 | 0 | 0 | 109.8 | P798 W802 M803 | P798-D800 PolarHBondContact O-N 3.06Å; D800-W802 PolarHBondContact O-N 3.32Å; D800-W802 PolarHBondContact OD2-NE1 3.23Å; D800-M803 PolarHBondContact O-N 2.85Å |
| 801 | P | 57.1 | Low | 42.9 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 7.8 | -164.2 | -27.5 | 35.7 | 0 | 0 | 0 | 118.4 | P799 | P799-P801 WeakPolarHBondContact O-CD 3.29Š|
| 802 | W | 51.9 | Low | 42.9 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -2.7 | -177.7 | 63.1 | -80.7 | 0 | 0 | 0 | 113.9 | D800 | D800-W802 PolarHBondContact O-N 3.32Å; D800-W802 PolarHBondContact OD2-NE1 3.23Å |
| 803 | M | 35.9 | Very low | 43 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | -116.3 | 51.8 | -179 | -71.8 | -63.6 | -134.7 | 0 | 0 | 113.4 | D800 | D800-M803 PolarHBondContact O-N 2.85Š| ||
| 804 | D | 40.8 | Very low | 42.7 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 65% | 0.652 | 75% | 0.746 | S | S | * | * | trans | -144.4 | 114.4 | 149.3 | -160.7 | -2.2 | 0 | 0 | 0 | 111.2 | ||||
| 805 | S | 38 | Very low | 42.2 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -166.1 | 57 | -178.1 | -73.5 | 0 | 0 | 0 | 0 | 109.7 | P807 | S805-P807 WeakPolarHBondContact O-CD 3.39Š| ||
| 806 | V | 32.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -73.8 | 118.1 | 161.6 | -179.3 | 0 | 0 | 0 | 0 | 108 | E808 | V806-E808 PolarHBondContact O-N 3.39Š| ||
| 807 | P | 50 | Low | 42 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -80.4 | 113.5 | 176.3 | 31.2 | -31.4 | 0 | 0 | 0 | 110.2 | S805 | S805-P807 WeakPolarHBondContact O-CD 3.39Š| ||
| 808 | E | 31.4 | Very low | 41.3 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -72.5 | 130.7 | 166.6 | -138.4 | -148.6 | 151.4 | 0 | 0 | 109.4 | V806 A810 | V806-E808 PolarHBondContact O-N 3.39Å; E808-A810 PolarHBondContact O-N 3.35Å | ||
| 809 | P | 44.9 | Very low | 41 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -89.6 | 91.1 | -166.2 | 33.7 | -34.9 | 0 | 0 | 0 | 113.3 | ||||
| 810 | A | 39.1 | Very low | 40.3 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -132.4 | 135 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E808 | E808-A810 PolarHBondContact O-N 3.35Š| ||
| 811 | A | 34.3 | Very low | 40.6 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 59.2 | 61.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117 | V813 | A811-V813 PolarHBondContact O-N 3.39Š| ||
| 812 | A | 37.9 | Very low | 39.9 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -85.5 | 93.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 813 | V | 45.1 | Very low | 39.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -141.4 | 140.2 | 158.6 | -159.5 | 0 | 0 | 0 | 0 | 108.3 | A811 | A811-V813 PolarHBondContact O-N 3.39Š| ||
| 814 | E | 36.8 | Very low | 40.9 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | 58.1 | 72.4 | 179.9 | -54.3 | -151.5 | 142.7 | 0 | 0 | 116.5 | ||||
| 815 | A | 39 | Very low | 42.5 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -134 | 66.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 816 | L | 42.7 | Very low | 44.8 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | -108.6 | 163.1 | 163 | -128.2 | 73.2 | 0 | 0 | 0 | 108.9 | ||||
| 817 | E | 38.7 | Very low | 47.5 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 61.5 | 68.9 | 179.3 | -63.8 | -60.3 | 109.3 | 0 | 0 | 116.8 | ||
| 818 | A | 34.4 | Very low | 49.6 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | trans | -175.6 | 72.3 | 140.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S820 | A818-S820 PolarHBondContact O-N 3.09Š| ||
| 819 | V | 43 | Very low | 52.6 | Low | 163 Ų | 163 | 122 Ų | 122 | 99% | 0.988 | 71% | 0.713 | S | S | * | * | trans | -78.6 | 63.1 | 161.1 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 820 | S | 36.1 | Very low | 55 | Low | 96 Ų | 96 | 119.3 Ų | 119.3 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | trans | -89.9 | 147.9 | 162.2 | -75.7 | 0 | 0 | 0 | 0 | 109.2 | A818 S822 | A818-S820 PolarHBondContact O-N 3.09Å; S820-S822 PolarHBondContact O-N 2.93Å | ||
| 821 | R | 43.7 | Very low | 57.7 | Low | 246 Ų | 246 | 115 Ų | 115 | 93% | 0.928 | 65% | 0.65 | S | S | * | * | trans | -67 | 90.2 | 159.5 | -78.7 | -170.6 | 176.4 | 99.9 | -1.5 | 107.9 | V823 | R821-V823 VanDerWaalsContact C-N 3.31Å; R821-V823 PolarHBondContact O-N 2.99Å | ||
| 822 | S | 41.3 | Very low | 60.7 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | trans | -62.8 | 96.5 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 108 | S820 C824 | S820-S822 PolarHBondContact O-N 2.93Å; S822-C824 VanDerWaalsContact C-N 3.3Å; S822-C824 PolarHBondContact O-N 3.36Å | ||
| 823 | V | 53.3 | Low | 63.4 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | trans | -64.4 | 101.4 | 161.8 | 176.6 | 0 | 0 | 0 | 0 | 104.7 | R821 P825 | R821-V823 VanDerWaalsContact C-N 3.31Å; R821-V823 PolarHBondContact O-N 2.99Å; V823-P825 WeakPolarHBondContact O-CD 3.44Å | ||
| 824 | C | 56.7 | Low | 65.9 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | trans | -46.1 | 118.1 | -176.7 | -59.8 | 0 | 0 | 0 | 0 | 109 | S822 R826 | S822-C824 VanDerWaalsContact C-N 3.3Å; S822-C824 PolarHBondContact O-N 3.36Å; C824-R826 PolarHBondContact O-N 2.94Å | ||
| 825 | P | 74.5 | Confident | 68.8 | Low | 86 Ų | 86 | 100.6 Ų | 100.6 | 56% | 0.558 | 54% | 0.538 | S | S | * | . | trans | -54 | 133.9 | -178.2 | -28.2 | 35.6 | 0 | 0 | 0 | 109.9 | V823 D827 | V823-P825 WeakPolarHBondContact O-CD 3.44Å; P825-D827 HydrophobicContact CB-CB 4.45Å; P825-D827 PolarHBondContact O-N 3.05Å | ||
| 826 | R | 85.3 | Confident | 71.5 | Confident | 155 Ų | 155 | 98.6 Ų | 98.6 | 59% | 0.585 | 51% | 0.511 | S | S | * | . | trans | -74.8 | 66.5 | 168.5 | -66.8 | -168.4 | -180 | -168.6 | -0.5 | 108.8 | C824 W830 F831 S902 | C824-R826 PolarHBondContact O-N 2.94Å; R826-W830 HydrophobicContact CB-CD2 4.39Å; R826-W830 HydrophobicContact CB-CE3 4.02Å; R826-W830 HydrophobicContact CG-CD2 3.91Å; R826-W830 HydrophobicContact CG-CE3 3.8Å; R826-W830 HydrophobicContact CG-CG 4.44Å; R826-W830 HydrophobicContact CG-CZ3 4.13Å; R826-F831 HydrophobicContact CB-CE2 3.95Å; R826-F831 HydrophobicContact CB-CZ 4.35Å; R826-F831 WeakPolarHBondContact O-CE2 3.23Å; R826-S902 WeakPolarHBondContact O-CB 3.38Å; R826-S902 PolarHBondContact O-OG 2.92Å | ||
| 827 | D | 89.3 | Confident | 74.1 | Confident | 39 Ų | 39 | 93 Ų | 93 | 21% | 0.209 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -89 | 179.8 | 174 | 75.9 | -6.4 | 0 | 0 | 0 | 110.4 | P825 R829 W830 F831 L892 | P825-D827 HydrophobicContact CB-CB 4.45Å; P825-D827 PolarHBondContact O-N 3.05Å; D827-R829 PolarHBondContact O-N 2.88Å; D827-R829 VanDerWaalsContact O-N 3.13Å; D827-R829 WeakPolarHBondContact OD1-CA 3.49Å; D827-R829 VanDerWaalsContact OD1-CB 3.27Å; D827-R829 WeakPolarHBondContact OD1-CB 3.41Å; D827-R829 PolarHBondContact OD1-N 2.9Å; D827-W830 PolarHBondContact O-N 2.86Å; D827-W830 VanDerWaalsContact O-N 3.14Å; D827-W830 PolarHBondContact OD1-N 2.71Å; D827-F831 VanDerWaalsContact O-CD2 3.29Å; D827-F831 WeakPolarHBondContact O-CD2 3.47Å; D827-F831 PolarHBondContact O-N 2.8Å; D827-F831 VanDerWaalsContact O-N 3.11Å; D827-L892 HydrophobicContact CB-CD2 4.32Å |
| 828 | G | 93.3 | Very high | 76.9 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -56.2 | -25.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | L832 N891 | G828-L832 WeakPolarHBondContact O-CB 3.5Å; G828-L832 WeakPolarHBondContact O-CD1 3.41Å; G828-L832 WeakPolarHBondContact O-CG 3.31Å; G828-L832 PolarHBondContact O-N 3Å; G828-N891 PolarHBondContact N-OD1 2.84Å |
| 829 | R | 94.7 | Very high | 79.9 | Confident | 168 Ų | 168 | 81.5 Ų | 81.5 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -72.6 | -41.8 | 177.3 | -57.5 | 178 | -176.3 | -80 | -1.1 | 110.8 | D827 K833 L892 | D827-R829 PolarHBondContact O-N 2.88Å; D827-R829 VanDerWaalsContact O-N 3.13Å; D827-R829 WeakPolarHBondContact OD1-CA 3.49Å; D827-R829 VanDerWaalsContact OD1-CB 3.27Å; D827-R829 WeakPolarHBondContact OD1-CB 3.41Å; D827-R829 PolarHBondContact OD1-N 2.9Å; R829-K833 PolarHBondContact O-N 2.99Å; R829-K833 VanDerWaalsContact O-N 3.11Å; R829-L892 HydrophobicContact CB-CD1 4.5Å; R829-L892 HydrophobicContact CG-CD1 3.52Å; R829-L892 HydrophobicContact CG-CD2 3.76Å; R829-L892 HydrophobicContact CG-CG 4.29Å |
| 830 | W | 94.9 | Very high | 82.5 | Confident | 68 Ų | 68 | 78.6 Ų | 78.6 | 26% | 0.258 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.6 | -173.3 | 81.1 | 0 | 0 | 0 | 111.1 | R826 D827 K833 L834 | R826-W830 HydrophobicContact CB-CD2 4.39Å; R826-W830 HydrophobicContact CB-CE3 4.02Å; R826-W830 HydrophobicContact CG-CD2 3.91Å; R826-W830 HydrophobicContact CG-CE3 3.8Å; R826-W830 HydrophobicContact CG-CG 4.44Å; R826-W830 HydrophobicContact CG-CZ3 4.13Å; D827-W830 PolarHBondContact O-N 2.86Å; D827-W830 VanDerWaalsContact O-N 3.14Å; D827-W830 PolarHBondContact OD1-N 2.71Å; W830-K833 PolarHBondContact O-N 3.27Å; W830-L834 HydrophobicContact CH2-CD2 3.63Å; W830-L834 HydrophobicContact CZ2-CD2 4.29Å; W830-L834 HydrophobicContact CZ3-CD2 3.79Å; W830-L834 PolarHBondContact O-N 2.73Å; W830-L834 VanDerWaalsContact O-N 3.11Å |
| 831 | F | 96.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 178.4 | -77.2 | -69.8 | 0 | 0 | 0 | 113.3 | R826 D827 L834 L835 F884 C888 L905 A906 W909 | R826-F831 HydrophobicContact CB-CE2 3.95Å; R826-F831 HydrophobicContact CB-CZ 4.35Å; R826-F831 WeakPolarHBondContact O-CE2 3.23Å; D827-F831 VanDerWaalsContact O-CD2 3.29Å; D827-F831 WeakPolarHBondContact O-CD2 3.47Å; D827-F831 PolarHBondContact O-N 2.8Å; D827-F831 VanDerWaalsContact O-N 3.11Å; F831-L834 PolarHBondContact O-N 2.84Å; F831-L835 VanDerWaalsContact O-CB 3.25Å; F831-L835 WeakPolarHBondContact O-CB 3.46Å; F831-L835 PolarHBondContact O-N 3.12Å; F831-F884 HydrophobicContact CB-CE1 3.84Å; F831-F884 HydrophobicContact CB-CZ 3.84Å; F831-F884 HydrophobicContact CD1-CE1 4.07Å; F831-F884 AromaticContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CE1-CZ 4.33Å; F831-F884 HydrophobicContact CG-CE1 4.28Å; F831-F884 AromaticContact CG-CZ 3.84Å; F831-F884 HydrophobicContact CG-CZ 3.84Å; F831-C888 VanDerWaalsContact CB-SG 3.52Å; F831-L905 HydrophobicContact CD2-CB 3.6Å; F831-L905 HydrophobicContact CD2-CD1 3.68Å; F831-L905 HydrophobicContact CD2-CG 4.32Å; F831-L905 HydrophobicContact CE2-CB 3.53Å; F831-L905 HydrophobicContact CE2-CD1 4.28Å; F831-L905 HydrophobicContact CG-CB 4.23Å; F831-L905 HydrophobicContact CG-CD1 4.4Å; F831-L905 HydrophobicContact CZ-CB 4.11Å; F831-A906 HydrophobicContact CZ-CB 3.96Å; F831-W909 HydrophobicContact CD1-CB 4.03Å; F831-W909 HydrophobicContact CD1-CD2 4.4Å; F831-W909 HydrophobicContact CD1-CG 4.14Å; F831-W909 HydrophobicContact CE1-CB 3.62Å; F831-W909 AromaticContact CE1-CG 3.87Å; F831-W909 HydrophobicContact CE1-CG 3.87Å |
| 832 | L | 96.6 | Very high | 88 | Confident | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.7 | -78 | 165.6 | 0 | 0 | 0 | 112.3 | G828 Q836 R885 C888 E889 L892 | G828-L832 WeakPolarHBondContact O-CB 3.5Å; G828-L832 WeakPolarHBondContact O-CD1 3.41Å; G828-L832 WeakPolarHBondContact O-CG 3.31Å; G828-L832 PolarHBondContact O-N 3Å; L832-Q836 VanDerWaalsContact O-CB 3.3Å; L832-Q836 WeakPolarHBondContact O-CB 3.43Å; L832-Q836 PolarHBondContact O-N 3.35Å; L832-R885 HydrophobicContact CD2-CB 4.3Å; L832-R885 HydrophobicContact CD2-CG 3.64Å; L832-C888 HydrophobicContact CD1-CB 4.18Å; L832-C888 HydrophobicContact CD2-CB 4Å; L832-C888 HydrophobicContact CG-CB 3.68Å; L832-E889 HydrophobicContact CD1-CG 4.24Å; L832-L892 HydrophobicContact CD1-CD1 4.07Å |
| 833 | K | 96.4 | Very high | 90.7 | Very high | 153 Ų | 153 | 66.5 Ų | 66.5 | 67% | 0.665 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 174.3 | -76.8 | -168.5 | 173.5 | -164.3 | 0 | 111.7 | R829 W830 Q836 A837 | R829-K833 PolarHBondContact O-N 2.99Å; R829-K833 VanDerWaalsContact O-N 3.11Å; W830-K833 PolarHBondContact O-N 3.27Å; K833-Q836 PolarHBondContact O-N 3Å; K833-A837 PolarHBondContact O-N 2.97Å; K833-A837 VanDerWaalsContact O-N 3.15Å |
| 834 | L | 96.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | -180 | -174.1 | 61.8 | 0 | 0 | 0 | 112.1 | W830 F831 Q836 E838 W909 | W830-L834 HydrophobicContact CH2-CD2 3.63Å; W830-L834 HydrophobicContact CZ2-CD2 4.29Å; W830-L834 HydrophobicContact CZ3-CD2 3.79Å; W830-L834 PolarHBondContact O-N 2.73Å; W830-L834 VanDerWaalsContact O-N 3.11Å; F831-L834 PolarHBondContact O-N 2.84Å; L834-Q836 VanDerWaalsContact C-N 3.3Å; L834-Q836 PolarHBondContact O-N 3.15Å; L834-E838 WeakPolarHBondContact O-CB 3.3Å; L834-E838 PolarHBondContact O-N 3.15Å; L834-E838 VanDerWaalsContact O-N 3.15Å; L834-W909 HydrophobicContact CD1-CZ2 4.36Å; L834-W909 HydrophobicContact CD2-CD2 4.12Å; L834-W909 VanDerWaalsContact CD2-CE2 3.47Å; L834-W909 HydrophobicContact CD2-CH2 4.1Å; L834-W909 HydrophobicContact CD2-CZ2 3.47Å; L834-W909 VanDerWaalsContact CD2-CZ2 3.47Å; L834-W909 HydrophobicContact CG-CH2 3.76Å; L834-W909 HydrophobicContact CG-CZ2 3.54Å; L834-W909 HydrophobicContact CG-CZ3 4.45Å |
| 835 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 173.2 | -177.2 | 69.4 | 0 | 0 | 0 | 111.7 | F831 E838 T839 F881 F884 R885 W909 L912 | F831-L835 VanDerWaalsContact O-CB 3.25Å; F831-L835 WeakPolarHBondContact O-CB 3.46Å; F831-L835 PolarHBondContact O-N 3.12Å; L835-E838 PolarHBondContact O-N 2.86Å; L835-T839 WeakPolarHBondContact O-CB 3.42Å; L835-T839 PolarHBondContact O-N 3.03Å; L835-T839 PolarHBondContact O-OG1 3.08Å; L835-F881 HydrophobicContact CD1-CB 3.73Å; L835-F881 HydrophobicContact CD1-CD1 4.04Å; L835-F881 HydrophobicContact CD1-CD2 3.61Å; L835-F881 HydrophobicContact CD1-CE2 4.13Å; L835-F881 HydrophobicContact CD1-CG 3.53Å; L835-F881 HydrophobicContact CD2-CB 4.46Å; L835-F881 WeakPolarHBondContact CD2-O 3.37Å; L835-F881 HydrophobicContact CG-CB 4.38Å; L835-F881 HydrophobicContact CG-CD2 4.34Å; L835-F881 HydrophobicContact CG-CG 4.5Å; L835-F884 HydrophobicContact CB-CD1 4.4Å; L835-F884 HydrophobicContact CD1-CD1 3.98Å; L835-F884 HydrophobicContact CD2-CD1 4.08Å; L835-F884 HydrophobicContact CG-CD1 4.38Å; L835-R885 HydrophobicContact CD2-CB 3.82Å; L835-W909 HydrophobicContact CB-CZ3 4.3Å; L835-W909 HydrophobicContact CD1-CZ3 4.05Å; L835-L912 HydrophobicContact CD1-CD2 3.96Å |
| 836 | Q | 97.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.2 | -48.1 | -178.8 | -173 | 59 | 33.7 | 0 | 0 | 111.7 | L832 K833 L834 E838 T839 E840 | L832-Q836 VanDerWaalsContact O-CB 3.3Å; L832-Q836 WeakPolarHBondContact O-CB 3.43Å; L832-Q836 PolarHBondContact O-N 3.35Å; K833-Q836 PolarHBondContact O-N 3Å; L834-Q836 VanDerWaalsContact C-N 3.3Å; L834-Q836 PolarHBondContact O-N 3.15Å; Q836-E838 VanDerWaalsContact C-N 3.27Å; Q836-E838 PolarHBondContact O-N 3.32Å; Q836-T839 WeakPolarHBondContact O-CB 3.36Å; Q836-T839 PolarHBondContact O-N 3.39Å; Q836-T839 VanDerWaalsContact O-N 3.08Å; Q836-E840 WeakPolarHBondContact CG-OE1 3.4Å; Q836-E840 PolarHBondContact NE2-OE1 2.84Å; Q836-E840 WeakPolarHBondContact O-CG 3.46Å; Q836-E840 PolarHBondContact O-N 3.33Å |
| 837 | A | 96.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K833 R841 | K833-A837 PolarHBondContact O-N 2.97Å; K833-A837 VanDerWaalsContact O-N 3.15Å; A837-R841 WeakPolarHBondContact O-CB 3.36Å; A837-R841 PolarHBondContact O-N 2.87Å; A837-R841 VanDerWaalsContact O-N 3.08Å |
| 838 | E | 97.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 57.1 Ų | 57.1 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.9 | -33.6 | 175 | -172.5 | 62 | -115.4 | 0 | 0 | 112.7 | L834 L835 Q836 R841 M842 F881 W909 I916 | L834-E838 WeakPolarHBondContact O-CB 3.3Å; L834-E838 PolarHBondContact O-N 3.15Å; L834-E838 VanDerWaalsContact O-N 3.15Å; L835-E838 PolarHBondContact O-N 2.86Å; Q836-E838 VanDerWaalsContact C-N 3.27Å; Q836-E838 PolarHBondContact O-N 3.32Å; E838-R841 IonicContact OE1-CZ 2.84Å; E838-R841 IonicContact OE1-NE 3.18Å; E838-R841 PolarHBondContact OE1-NE 3.35Å; E838-R841 IonicContact OE1-NH2 2.86Å; E838-R841 PolarHBondContact OE1-NH2 3.15Å; E838-R841 IonicContact OE2-CZ 2.73Å; E838-R841 IonicContact OE2-NE 3.4Å; E838-R841 IonicContact OE2-NH2 2.66Å; E838-R841 PolarHBondContact OE2-NH2 3.08Å; E838-M842 WeakPolarHBondContact O-CB 3.47Å; E838-M842 PolarHBondContact O-N 2.96Å; E838-M842 VanDerWaalsContact O-N 3.11Å; E838-F881 HydrophobicContact CB-CE2 4.29Å; E838-F881 HydrophobicContact CB-CZ 4.48Å; E838-F881 HydrophobicContact CG-CE2 3.98Å; E838-F881 HydrophobicContact CG-CZ 3.73Å; E838-W909 HydrophobicContact CB-CH2 4.27Å; E838-W909 HydrophobicContact CG-CH2 4.48Å; E838-I916 HydrophobicContact CG-CD1 3.65Å; E838-I916 HydrophobicContact CG-CG1 4.13Å; E838-I916 HydrophobicContact CG-CG2 4.23Å; E838-I916 WeakPolarHBondContact OE1-CG2 3.46Å |
| 839 | T | 97.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -53.1 | 172.8 | -50.5 | 0 | 0 | 0 | 0 | 109.5 | L835 Q836 R841 M842 E843 M877 F881 | L835-T839 WeakPolarHBondContact O-CB 3.42Å; L835-T839 PolarHBondContact O-N 3.03Å; L835-T839 PolarHBondContact O-OG1 3.08Å; Q836-T839 WeakPolarHBondContact O-CB 3.36Å; Q836-T839 PolarHBondContact O-N 3.39Å; Q836-T839 VanDerWaalsContact O-N 3.08Å; T839-R841 VanDerWaalsContact C-N 3.33Å; T839-R841 PolarHBondContact O-N 3.05Å; T839-M842 PolarHBondContact O-N 3.08Å; T839-E843 HydrophobicContact CG2-CG 4.26Å; T839-E843 WeakPolarHBondContact O-CB 3.32Å; T839-E843 WeakPolarHBondContact O-CG 3.37Å; T839-E843 PolarHBondContact O-N 3.43Å; T839-M877 HydrophobicContact CG2-SD 4.04Å; T839-F881 HydrophobicContact CG2-CD2 4.5Å; T839-F881 WeakPolarHBondContact OG1-CD2 3.39Å |
| 840 | E | 97.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 52.8 Ų | 52.8 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | -178.1 | -71.9 | 163.2 | -167 | 0 | 0 | 112.2 | Q836 G844 | Q836-E840 WeakPolarHBondContact CG-OE1 3.4Å; Q836-E840 PolarHBondContact NE2-OE1 2.84Å; Q836-E840 WeakPolarHBondContact O-CG 3.46Å; Q836-E840 PolarHBondContact O-N 3.33Å; E840-G844 PolarHBondContact O-N 3.45Å |
| 841 | R | 97.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 54 Ų | 54 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -50.5 | 173.9 | -177.5 | 173.7 | 78.2 | 150.6 | 4.2 | 111.9 | A837 E838 T839 G844 W845 | A837-R841 WeakPolarHBondContact O-CB 3.36Å; A837-R841 PolarHBondContact O-N 2.87Å; A837-R841 VanDerWaalsContact O-N 3.08Å; E838-R841 IonicContact OE1-CZ 2.84Å; E838-R841 IonicContact OE1-NE 3.18Å; E838-R841 PolarHBondContact OE1-NE 3.35Å; E838-R841 IonicContact OE1-NH2 2.86Å; E838-R841 PolarHBondContact OE1-NH2 3.15Å; E838-R841 IonicContact OE2-CZ 2.73Å; E838-R841 IonicContact OE2-NE 3.4Å; E838-R841 IonicContact OE2-NH2 2.66Å; E838-R841 PolarHBondContact OE2-NH2 3.08Å; T839-R841 VanDerWaalsContact C-N 3.33Å; T839-R841 PolarHBondContact O-N 3.05Å; R841-G844 WeakPolarHBondContact O-CA 3.4Å; R841-G844 PolarHBondContact O-N 3.18Å; R841-W845 HydrophobicContact CG-CD2 4.38Å; R841-W845 HydrophobicContact CG-CH2 4.23Å; R841-W845 HydrophobicContact CG-CZ2 3.91Å; R841-W845 PolarHBondContact O-N 2.86Å |
| 842 | M | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.9 | -31 | -174.7 | -176.4 | 151.9 | 44.7 | 0 | 0 | 112.6 | E838 T839 G844 W845 C846 A873 L876 M877 F881 I916 I919 | E838-M842 WeakPolarHBondContact O-CB 3.47Å; E838-M842 PolarHBondContact O-N 2.96Å; E838-M842 VanDerWaalsContact O-N 3.11Å; T839-M842 PolarHBondContact O-N 3.08Å; M842-G844 VanDerWaalsContact C-N 3.31Å; M842-W845 HydrophobicContact CB-CE3 4.39Å; M842-W845 HydrophobicContact CG-CE3 4.47Å; M842-W845 PolarHBondContact O-N 3.24Å; M842-C846 PolarHBondContact O-N 2.94Å; M842-C846 PolarHBondContact O-SG 3.19Å; M842-A873 HydrophobicContact CG-CB 3.69Å; M842-A873 HydrophobicContact SD-CB 3.75Å; M842-L876 HydrophobicContact CE-CD2 4.23Å; M842-M877 HydrophobicContact CB-SD 3.95Å; M842-M877 HydrophobicContact CE-CG 3.91Å; M842-M877 HydrophobicContact CE-SD 4.21Å; M842-M877 HydrophobicContact CG-CE 4.21Å; M842-M877 HydrophobicContact CG-SD 3.98Å; M842-F881 HydrophobicContact CE-CE1 3.95Å; M842-F881 HydrophobicContact CE-CE2 3.74Å; M842-F881 HydrophobicContact CE-CZ 3.23Å; M842-I916 HydrophobicContact CE-CG1 4.34Å; M842-I919 HydrophobicContact SD-CB 4.4Å; M842-I919 HydrophobicContact SD-CG2 3.73Å |
| 843 | E | 97.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 165.5 | -73.8 | -178.7 | 170.6 | 0 | 0 | 112.4 | T839 R847 M877 | T839-E843 HydrophobicContact CG2-CG 4.26Å; T839-E843 WeakPolarHBondContact O-CB 3.32Å; T839-E843 WeakPolarHBondContact O-CG 3.37Å; T839-E843 PolarHBondContact O-N 3.43Å; E843-R847 WeakPolarHBondContact O-CB 3.47Å; E843-R847 WeakPolarHBondContact O-CG 3.39Å; E843-R847 PolarHBondContact O-N 2.85Å; E843-R847 PolarHBondContact O-NE 2.84Å; E843-M877 HydrophobicContact CG-CE 3.77Å; E843-M877 HydrophobicContact CG-SD 3.84Å |
| 844 | G | 97.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 53 Ų | 53 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E840 R841 M842 C846 R847 Q848 | E840-G844 PolarHBondContact O-N 3.45Å; R841-G844 WeakPolarHBondContact O-CA 3.4Å; R841-G844 PolarHBondContact O-N 3.18Å; M842-G844 VanDerWaalsContact C-N 3.31Å; G844-C846 PolarHBondContact O-N 3.11Å; G844-R847 PolarHBondContact O-N 3.37Å; G844-Q848 WeakPolarHBondContact O-CB 3.38Å; G844-Q848 PolarHBondContact O-N 2.82Å |
| 845 | W | 97.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 175 | -65.7 | -24.3 | 0 | 0 | 0 | 113.2 | R841 M842 Q848 M849 F923 | R841-W845 HydrophobicContact CG-CD2 4.38Å; R841-W845 HydrophobicContact CG-CH2 4.23Å; R841-W845 HydrophobicContact CG-CZ2 3.91Å; R841-W845 PolarHBondContact O-N 2.86Å; M842-W845 HydrophobicContact CB-CE3 4.39Å; M842-W845 HydrophobicContact CG-CE3 4.47Å; M842-W845 PolarHBondContact O-N 3.24Å; W845-Q848 PolarHBondContact O-N 2.93Å; W845-M849 WeakPolarHBondContact O-CG 3.33Å; W845-M849 PolarHBondContact O-N 2.79Å; W845-F923 HydrophobicContact CB-CD1 3.82Å; W845-F923 HydrophobicContact CB-CD2 4.07Å; W845-F923 HydrophobicContact CB-CE1 3.74Å; W845-F923 HydrophobicContact CB-CE2 3.99Å; W845-F923 HydrophobicContact CB-CG 3.98Å; W845-F923 HydrophobicContact CB-CZ 3.83Å; W845-F923 HydrophobicContact CD2-CB 4.49Å; W845-F923 HydrophobicContact CD2-CD2 4.18Å; W845-F923 HydrophobicContact CD2-CG 4.34Å; W845-F923 HydrophobicContact CE3-CB 4.48Å; W845-F923 AromaticContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CE2 4.05Å; W845-F923 HydrophobicContact CE3-CG 4.19Å; W845-F923 HydrophobicContact CG-CD2 4.43Å; W845-F923 HydrophobicContact CG-CG 4.32Å; W845-F923 HydrophobicContact CZ3-CD2 4.33Å |
| 846 | C | 97.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.6 | -57.2 | 173.6 | -72.1 | 0 | 0 | 0 | 0 | 111.2 | M842 G844 Q848 M849 E850 V870 A873 | M842-C846 PolarHBondContact O-N 2.94Å; M842-C846 PolarHBondContact O-SG 3.19Å; G844-C846 PolarHBondContact O-N 3.11Å; C846-Q848 VanDerWaalsContact C-N 3.29Å; C846-Q848 PolarHBondContact O-N 3.4Å; C846-M849 PolarHBondContact O-N 2.82Å; C846-M849 VanDerWaalsContact O-N 3.15Å; C846-E850 WeakPolarHBondContact O-CB 3.34Å; C846-E850 WeakPolarHBondContact O-CG 3.42Å; C846-E850 PolarHBondContact O-N 3.4Å; C846-V870 HydrophobicContact CB-CG1 4.12Å; C846-A873 VanDerWaalsContact SG-CB 3.56Å |
| 847 | R | 97.3 | Very high | 94.6 | Very high | 151 Ų | 151 | 66.1 Ų | 66.1 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.3 | -39.7 | -179.5 | -75 | 174.1 | -73 | 161.3 | -7.8 | 112.5 | E843 G844 Q851 | E843-R847 WeakPolarHBondContact O-CB 3.47Å; E843-R847 WeakPolarHBondContact O-CG 3.39Å; E843-R847 PolarHBondContact O-N 2.85Å; E843-R847 PolarHBondContact O-NE 2.84Å; G844-R847 PolarHBondContact O-N 3.37Å; R847-Q851 VanDerWaalsContact O-CB 3.23Å; R847-Q851 WeakPolarHBondContact O-CB 3.47Å; R847-Q851 PolarHBondContact O-N 3.38Å |
| 848 | Q | 96.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178 | -178.9 | 56.5 | 84.6 | 0 | 0 | 112.1 | G844 W845 C846 D852 K930 | G844-Q848 WeakPolarHBondContact O-CB 3.38Å; G844-Q848 PolarHBondContact O-N 2.82Å; W845-Q848 PolarHBondContact O-N 2.93Å; C846-Q848 VanDerWaalsContact C-N 3.29Å; C846-Q848 PolarHBondContact O-N 3.4Å; Q848-D852 PolarHBondContact NE2-OD1 3Å; Q848-D852 PolarHBondContact NE2-OD2 3.37Å; Q848-D852 WeakPolarHBondContact O-CB 3.27Å; Q848-D852 PolarHBondContact O-N 2.86Å; Q848-K930 VanDerWaalsContact NE2-NZ 3.15Å |
| 849 | M | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.8 | -33.3 | 178 | -65.5 | -63.1 | 100.9 | 0 | 0 | 112.9 | W845 C846 D852 E853 I866 V870 F923 L926 | W845-M849 WeakPolarHBondContact O-CG 3.33Å; W845-M849 PolarHBondContact O-N 2.79Å; C846-M849 PolarHBondContact O-N 2.82Å; C846-M849 VanDerWaalsContact O-N 3.15Å; M849-D852 WeakPolarHBondContact CE-OD2 3.32Å; M849-D852 PolarHBondContact O-N 2.65Å; M849-E853 PolarHBondContact O-N 2.76Å; M849-I866 HydrophobicContact CB-CG2 4.02Å; M849-V870 HydrophobicContact CB-CG2 3.9Å; M849-F923 HydrophobicContact CB-CE1 4.3Å; M849-F923 HydrophobicContact CG-CD1 3.62Å; M849-F923 HydrophobicContact CG-CE1 3.61Å; M849-L926 HydrophobicContact CG-CD1 4.08Å; M849-L926 HydrophobicContact SD-CB 3.58Å; M849-L926 VanDerWaalsContact SD-CB 3.58Å; M849-L926 HydrophobicContact SD-CD1 3.94Å; M849-L926 HydrophobicContact SD-CG 4.32Å |
| 850 | E | 95.2 | Very high | 93.5 | Very high | 77 Ų | 77 | 73.2 Ų | 73.2 | 36% | 0.36 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 173 | -72.3 | 170.5 | 147.4 | 0 | 0 | 111 | C846 E853 V854 V870 Q874 | C846-E850 WeakPolarHBondContact O-CB 3.34Å; C846-E850 WeakPolarHBondContact O-CG 3.42Å; C846-E850 PolarHBondContact O-N 3.4Å; E850-E853 PolarHBondContact O-N 3.29Å; E850-V854 WeakPolarHBondContact O-CG2 3.32Å; E850-V854 PolarHBondContact O-N 3.23Å; E850-V870 HydrophobicContact CG-CG1 3.92Å; E850-V870 HydrophobicContact CG-CG2 4.39Å; E850-V870 WeakPolarHBondContact OE1-CG1 3.48Å; E850-Q874 PolarHBondContact OE1-NE2 3.02Å |
| 851 | Q | 94.7 | Very high | 93.2 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 172.7 | -172.2 | 67 | 16.3 | 0 | 0 | 111.3 | R847 E853 V854 E855 | R847-Q851 VanDerWaalsContact O-CB 3.23Å; R847-Q851 WeakPolarHBondContact O-CB 3.47Å; R847-Q851 PolarHBondContact O-N 3.38Å; Q851-E853 VanDerWaalsContact C-N 3.3Å; Q851-E853 PolarHBondContact O-N 3.43Å; Q851-V854 PolarHBondContact O-N 2.83Å; Q851-V854 VanDerWaalsContact O-N 3.07Å; Q851-E855 HydrophobicContact CG-CG 4.19Å; Q851-E855 WeakPolarHBondContact CG-OE1 3.28Å; Q851-E855 PolarHBondContact NE2-OE1 2.82Å; Q851-E855 WeakPolarHBondContact O-CB 3.48Å; Q851-E855 WeakPolarHBondContact O-CG 3.39Å; Q851-E855 PolarHBondContact O-N 3.07Å |
| 852 | D | 92.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 175.4 | -78.8 | -40.1 | 0 | 0 | 0 | 112.9 | Q848 M849 V854 N856 K930 W934 | Q848-D852 PolarHBondContact NE2-OD1 3Å; Q848-D852 PolarHBondContact NE2-OD2 3.37Å; Q848-D852 WeakPolarHBondContact O-CB 3.27Å; Q848-D852 PolarHBondContact O-N 2.86Å; M849-D852 WeakPolarHBondContact CE-OD2 3.32Å; M849-D852 PolarHBondContact O-N 2.65Å; D852-V854 VanDerWaalsContact C-N 3.3Å; D852-N856 WeakPolarHBondContact O-CB 3.4Å; D852-N856 PolarHBondContact O-N 3.13Å; D852-N856 PolarHBondContact O-ND2 3.26Å; D852-K930 WeakPolarHBondContact OD1-CE 3.4Å; D852-K930 IonicContact OD1-NZ 2.72Å; D852-K930 PolarHBondContact OD1-NZ 3.42Å; D852-K930 WeakPolarHBondContact OD2-CD 3.38Å; D852-K930 WeakPolarHBondContact OD2-CE 3.37Å; D852-K930 IonicContact OD2-NZ 2.66Å; D852-K930 PolarHBondContact OD2-NZ 3.27Å; D852-W934 HydrophobicContact CB-CH2 3.64Å; D852-W934 HydrophobicContact CB-CZ2 3.54Å; D852-W934 VanDerWaalsContact CG-CZ2 3.47Å |
| 853 | E | 91.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -26.5 | 173 | 161.8 | 164.7 | 177.9 | 0 | 0 | 113.1 | M849 E850 Q851 L858 L863 I866 R867 | M849-E853 PolarHBondContact O-N 2.76Å; E850-E853 PolarHBondContact O-N 3.29Å; Q851-E853 VanDerWaalsContact C-N 3.3Å; Q851-E853 PolarHBondContact O-N 3.43Å; E853-L858 HydrophobicContact CB-CD1 4.47Å; E853-L863 HydrophobicContact CB-CD2 4.1Å; E853-L863 HydrophobicContact CG-CD2 3.54Å; E853-I866 HydrophobicContact CB-CD1 4.27Å; E853-I866 HydrophobicContact CB-CG2 4.3Å; E853-I866 WeakPolarHBondContact OE2-CG2 3.21Å; E853-R867 IonicContact OE1-CZ 3.56Å; E853-R867 IonicContact OE1-NE 2.65Å; E853-R867 PolarHBondContact OE1-NE 3.01Å; E853-R867 IonicContact OE1-NH2 2.87Å; E853-R867 PolarHBondContact OE1-NH2 3.42Å; E853-R867 WeakPolarHBondContact OE2-CG 3.37Å; E853-R867 IonicContact OE2-NE 3.11Å |
| 854 | V | 90.3 | Very high | 92.6 | Very high | 117 Ų | 117 | 67.8 Ų | 67.8 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -90.3 | -35.5 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | E850 Q851 D852 | E850-V854 WeakPolarHBondContact O-CG2 3.32Å; E850-V854 PolarHBondContact O-N 3.23Å; Q851-V854 PolarHBondContact O-N 2.83Å; Q851-V854 VanDerWaalsContact O-N 3.07Å; D852-V854 VanDerWaalsContact C-N 3.3Å |
| 855 | E | 88.9 | Confident | 92.5 | Very high | 128 Ų | 128 | 69.4 Ų | 69.4 | 60% | 0.598 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.9 | -22 | -178.2 | -73.6 | -176.2 | -179.3 | 0 | 0 | 114.2 | Q851 | Q851-E855 HydrophobicContact CG-CG 4.19Å; Q851-E855 WeakPolarHBondContact CG-OE1 3.28Å; Q851-E855 PolarHBondContact NE2-OE1 2.82Å; Q851-E855 WeakPolarHBondContact O-CB 3.48Å; Q851-E855 WeakPolarHBondContact O-CG 3.39Å; Q851-E855 PolarHBondContact O-N 3.07Å |
| 856 | N | 84.5 | Confident | 92.4 | Very high | 55 Ų | 55 | 67.2 Ų | 67.2 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -121.5 | 137.3 | -173.4 | -56.9 | -102.2 | 0 | 0 | 0 | 111.1 | D852 L858 W934 | D852-N856 WeakPolarHBondContact O-CB 3.4Å; D852-N856 PolarHBondContact O-N 3.13Å; D852-N856 PolarHBondContact O-ND2 3.26Å; N856-L858 VanDerWaalsContact C-N 3.26Å; N856-L858 HydrophobicContact CB-CD2 3.46Å; N856-L858 VanDerWaalsContact CB-CD2 3.46Å; N856-L858 HydrophobicContact CB-CG 3.82Å; N856-L858 PolarHBondContact O-N 3Å; N856-W934 VanDerWaalsContact CG-NE1 3.28Å; N856-W934 PolarHBondContact OD1-NE1 3.21Å |
| 857 | E | 85.9 | Confident | 92.3 | Very high | 209 Ų | 209 | 74.1 Ų | 74.1 | 98% | 0.977 | 36% | 0.364 | S | S | * | . | trans | -73.9 | 81.2 | 167.1 | -67.8 | -172.1 | 161.5 | 0 | 0 | 110.1 | ||||
| 858 | L | 88.9 | Confident | 92.3 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | trans | -80.6 | 145.5 | -175 | -60.6 | -175.5 | 0 | 0 | 0 | 112.9 | E853 N856 V862 L863 I866 W934 | E853-L858 HydrophobicContact CB-CD1 4.47Å; N856-L858 VanDerWaalsContact C-N 3.26Å; N856-L858 HydrophobicContact CB-CD2 3.46Å; N856-L858 VanDerWaalsContact CB-CD2 3.46Å; N856-L858 HydrophobicContact CB-CG 3.82Å; N856-L858 PolarHBondContact O-N 3Å; L858-V862 HydrophobicContact CB-CB 4.46Å; L858-V862 HydrophobicContact CD1-CG1 4.13Å; L858-L863 HydrophobicContact CB-CD2 3.8Å; L858-L863 HydrophobicContact CB-CG 3.85Å; L858-L863 HydrophobicContact CD1-CD2 4.11Å; L858-L863 HydrophobicContact CG-CD2 4.42Å; L858-L863 WeakPolarHBondContact O-CD1 3.48Å; L858-I866 HydrophobicContact CD1-CD1 3.31Å; L858-W934 HydrophobicContact CD2-CB 3.58Å; L858-W934 VanDerWaalsContact CD2-CD1 3.44Å; L858-W934 HydrophobicContact CD2-CD2 3.41Å; L858-W934 VanDerWaalsContact CD2-CD2 3.41Å; L858-W934 HydrophobicContact CD2-CE3 4.02Å; L858-W934 HydrophobicContact CD2-CG 3.19Å | ||
| 859 | P | 88.8 | Confident | 92.4 | Very high | 62 Ų | 62 | 66.3 Ų | 66.3 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | trans | -62.5 | 147.2 | 170.5 | -20.4 | 32 | 0 | 0 | 0 | 112.5 | E861 V862 L863 | P859-E861 PolarHBondContact O-N 3.28Å; P859-V862 HydrophobicContact CB-CG2 4.34Å; P859-V862 HydrophobicContact CG-CG2 4.26Å; P859-V862 WeakPolarHBondContact O-CA 3.4Å; P859-V862 WeakPolarHBondContact O-CB 3.49Å; P859-V862 PolarHBondContact O-N 3.36Å; P859-L863 PolarHBondContact O-N 2.95Å | ||
| 860 | D | 90.4 | Very high | 92.5 | Very high | 142 Ų | 142 | 66.6 Ų | 66.6 | 76% | 0.759 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -51 | -33.8 | 178.8 | -73.4 | -37.1 | 0 | 0 | 0 | 114.3 | G864 | D860-G864 PolarHBondContact O-N 2.81Å |
| 861 | E | 91 | Very high | 92.7 | Very high | 105 Ų | 105 | 64.6 Ų | 64.6 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 175.6 | -165.5 | -160.2 | 138.4 | 0 | 0 | 111.7 | P859 G864 K865 | P859-E861 PolarHBondContact O-N 3.28Å; E861-G864 PolarHBondContact O-N 3.38Å; E861-K865 WeakPolarHBondContact O-CG 3.44Å; E861-K865 PolarHBondContact O-N 3.14Å; E861-K865 VanDerWaalsContact OE1-CE 3.23Å; E861-K865 WeakPolarHBondContact OE1-CE 3.31Å; E861-K865 IonicContact OE1-NZ 2.71Å; E861-K865 PolarHBondContact OE1-NZ 3.38Å |
| 862 | V | 92.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.8 | -43 | -180 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | L858 P859 G864 K865 I866 W934 | L858-V862 HydrophobicContact CB-CB 4.46Å; L858-V862 HydrophobicContact CD1-CG1 4.13Å; P859-V862 HydrophobicContact CB-CG2 4.34Å; P859-V862 HydrophobicContact CG-CG2 4.26Å; P859-V862 WeakPolarHBondContact O-CA 3.4Å; P859-V862 WeakPolarHBondContact O-CB 3.49Å; P859-V862 PolarHBondContact O-N 3.36Å; V862-G864 VanDerWaalsContact C-N 3.29Å; V862-G864 PolarHBondContact O-N 3.11Å; V862-K865 PolarHBondContact O-N 3.05Å; V862-K865 VanDerWaalsContact O-N 3.08Å; V862-I866 HydrophobicContact CG1-CD1 4.26Å; V862-I866 WeakPolarHBondContact O-CG1 3.08Å; V862-I866 PolarHBondContact O-N 3.45Å; V862-W934 HydrophobicContact CG1-CE3 3.8Å; V862-W934 HydrophobicContact CG1-CZ3 4.26Å |
| 863 | L | 93.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 170.9 | -67.2 | 173.8 | 0 | 0 | 0 | 111.4 | E853 L858 P859 K865 I866 R867 | E853-L863 HydrophobicContact CB-CD2 4.1Å; E853-L863 HydrophobicContact CG-CD2 3.54Å; L858-L863 HydrophobicContact CB-CD2 3.8Å; L858-L863 HydrophobicContact CB-CG 3.85Å; L858-L863 HydrophobicContact CD1-CD2 4.11Å; L858-L863 HydrophobicContact CG-CD2 4.42Å; L858-L863 WeakPolarHBondContact O-CD1 3.48Å; P859-L863 PolarHBondContact O-N 2.95Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.38Å; L863-I866 PolarHBondContact O-N 2.73Å; L863-R867 WeakPolarHBondContact O-CB 3.38Å; L863-R867 VanDerWaalsContact O-CG 3.27Å; L863-R867 WeakPolarHBondContact O-CG 3.25Å; L863-R867 PolarHBondContact O-N 2.89Å |
| 864 | G | 94.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 63.1 Ų | 63.1 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D860 E861 V862 S868 | D860-G864 PolarHBondContact O-N 2.81Å; E861-G864 PolarHBondContact O-N 3.38Å; V862-G864 VanDerWaalsContact C-N 3.29Å; V862-G864 PolarHBondContact O-N 3.11Å; G864-S868 WeakPolarHBondContact O-CB 3.33Å; G864-S868 PolarHBondContact O-N 3.11Å |
| 865 | K | 95.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 62 Ų | 62 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.4 | -43.6 | 175.2 | -72.1 | 173.9 | -177.6 | -176.1 | 0 | 112.4 | E861 V862 L863 S868 A869 E925 L926 L929 | E861-K865 WeakPolarHBondContact O-CG 3.44Å; E861-K865 PolarHBondContact O-N 3.14Å; E861-K865 VanDerWaalsContact OE1-CE 3.23Å; E861-K865 WeakPolarHBondContact OE1-CE 3.31Å; E861-K865 IonicContact OE1-NZ 2.71Å; E861-K865 PolarHBondContact OE1-NZ 3.38Å; V862-K865 PolarHBondContact O-N 3.05Å; V862-K865 VanDerWaalsContact O-N 3.08Å; L863-K865 VanDerWaalsContact C-N 3.33Å; L863-K865 PolarHBondContact O-N 3.38Å; K865-S868 PolarHBondContact O-N 3.11Å; K865-A869 WeakPolarHBondContact O-CB 3.39Å; K865-A869 PolarHBondContact O-N 2.87Å; K865-E925 WeakPolarHBondContact CD-OE1 3.37Å; K865-E925 VanDerWaalsContact CE-OE1 3.31Å; K865-E925 WeakPolarHBondContact CE-OE1 3.4Å; K865-E925 IonicContact NZ-OE1 3.36Å; K865-E925 PolarHBondContact NZ-OE1 3.17Å; K865-L926 HydrophobicContact CB-CD2 3.74Å; K865-L929 HydrophobicContact CD-CD1 3.99Å |
| 866 | I | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.6 | -58.3 | 175.4 | -72.5 | 172.8 | 0 | 0 | 0 | 109.9 | M849 E853 L858 V862 L863 S868 A869 V870 L926 W934 | M849-I866 HydrophobicContact CB-CG2 4.02Å; E853-I866 HydrophobicContact CB-CD1 4.27Å; E853-I866 HydrophobicContact CB-CG2 4.3Å; E853-I866 WeakPolarHBondContact OE2-CG2 3.21Å; L858-I866 HydrophobicContact CD1-CD1 3.31Å; V862-I866 HydrophobicContact CG1-CD1 4.26Å; V862-I866 WeakPolarHBondContact O-CG1 3.08Å; V862-I866 PolarHBondContact O-N 3.45Å; L863-I866 PolarHBondContact O-N 2.73Å; I866-S868 PolarHBondContact O-N 2.85Å; I866-A869 PolarHBondContact O-N 2.85Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 WeakPolarHBondContact O-CB 3.41Å; I866-V870 WeakPolarHBondContact O-CG2 3.24Å; I866-V870 PolarHBondContact O-N 3Å; I866-L926 HydrophobicContact CG1-CD1 4.04Å; I866-L926 HydrophobicContact CG1-CD2 3.64Å; I866-L926 HydrophobicContact CG1-CG 4.45Å; I866-W934 HydrophobicContact CD1-CZ3 4.43Å |
| 867 | R | 96.1 | Very high | 94.8 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 56% | 0.562 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.7 | -32.3 | -179.8 | -64.1 | 169.7 | -175.7 | 170.6 | 1.5 | 112.4 | E853 L863 G871 | E853-R867 IonicContact OE1-CZ 3.56Å; E853-R867 IonicContact OE1-NE 2.65Å; E853-R867 PolarHBondContact OE1-NE 3.01Å; E853-R867 IonicContact OE1-NH2 2.87Å; E853-R867 PolarHBondContact OE1-NH2 3.42Å; E853-R867 WeakPolarHBondContact OE2-CG 3.37Å; E853-R867 IonicContact OE2-NE 3.11Å; L863-R867 WeakPolarHBondContact O-CB 3.38Å; L863-R867 VanDerWaalsContact O-CG 3.27Å; L863-R867 WeakPolarHBondContact O-CG 3.25Å; L863-R867 PolarHBondContact O-N 2.89Å; R867-G871 WeakPolarHBondContact O-CA 3.4Å; R867-G871 PolarHBondContact O-N 2.68Å |
| 868 | S | 97.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 47% | 0.469 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.9 | -33.7 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 114 | G864 K865 I866 S872 K922 | G864-S868 WeakPolarHBondContact O-CB 3.33Å; G864-S868 PolarHBondContact O-N 3.11Å; K865-S868 PolarHBondContact O-N 3.11Å; I866-S868 PolarHBondContact O-N 2.85Å; S868-S872 VanDerWaalsContact O-CB 3.31Å; S868-S872 WeakPolarHBondContact O-CB 3.5Å; S868-S872 PolarHBondContact O-N 2.96Å; S868-S872 PolarHBondContact O-OG 3.31Å; S868-K922 PolarHBondContact O-NZ 3.17Å |
| 869 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.4 | -59.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K865 I866 G871 S872 A873 K922 F923 L926 | K865-A869 WeakPolarHBondContact O-CB 3.39Å; K865-A869 PolarHBondContact O-N 2.87Å; I866-A869 PolarHBondContact O-N 2.85Å; A869-G871 PolarHBondContact O-N 2.86Å; A869-S872 PolarHBondContact O-N 2.92Å; A869-S872 PolarHBondContact O-OG 3.08Å; A869-A873 PolarHBondContact O-N 3.26Å; A869-K922 HydrophobicContact CB-CB 3.84Å; A869-K922 HydrophobicContact CB-CD 4.05Å; A869-F923 HydrophobicContact CB-CD1 4.48Å; A869-F923 HydrophobicContact CB-CE1 4.27Å; A869-F923 HydrophobicContact CB-CZ 4.39Å; A869-L926 HydrophobicContact CB-CD1 3.56Å |
| 870 | V | 97.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.3 | -50.1 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | C846 M849 E850 I866 S872 A873 Q874 F923 | C846-V870 HydrophobicContact CB-CG1 4.12Å; M849-V870 HydrophobicContact CB-CG2 3.9Å; E850-V870 HydrophobicContact CG-CG1 3.92Å; E850-V870 HydrophobicContact CG-CG2 4.39Å; E850-V870 WeakPolarHBondContact OE1-CG1 3.48Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 WeakPolarHBondContact O-CB 3.41Å; I866-V870 WeakPolarHBondContact O-CG2 3.24Å; I866-V870 PolarHBondContact O-N 3Å; V870-S872 VanDerWaalsContact C-N 3.26Å; V870-S872 PolarHBondContact O-N 3.08Å; V870-A873 WeakPolarHBondContact O-CB 3.49Å; V870-A873 PolarHBondContact O-N 3.04Å; V870-A873 VanDerWaalsContact O-N 3.08Å; V870-Q874 HydrophobicContact CG1-CG 4.3Å; V870-Q874 VanDerWaalsContact CG1-NE2 3.32Å; V870-Q874 WeakPolarHBondContact O-CB 3.4Å; V870-Q874 WeakPolarHBondContact O-CG 3.41Å; V870-Q874 PolarHBondContact O-N 3.07Å; V870-F923 HydrophobicContact CG2-CE1 4.14Å; V870-F923 HydrophobicContact CG2-CZ 4.36Å |
| 871 | G | 97.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -32.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R867 A869 L875 | R867-G871 WeakPolarHBondContact O-CA 3.4Å; R867-G871 PolarHBondContact O-N 2.68Å; A869-G871 PolarHBondContact O-N 2.86Å; G871-L875 WeakPolarHBondContact O-CB 3.37Å; G871-L875 PolarHBondContact O-N 3.44Å; G871-L875 VanDerWaalsContact O-N 3.09Å |
| 872 | S | 97.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.3 | -32.6 | 174.2 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | S868 A869 V870 L876 I919 K922 | S868-S872 VanDerWaalsContact O-CB 3.31Å; S868-S872 WeakPolarHBondContact O-CB 3.5Å; S868-S872 PolarHBondContact O-N 2.96Å; S868-S872 PolarHBondContact O-OG 3.31Å; A869-S872 PolarHBondContact O-N 2.92Å; A869-S872 PolarHBondContact O-OG 3.08Å; V870-S872 VanDerWaalsContact C-N 3.26Å; V870-S872 PolarHBondContact O-N 3.08Å; S872-L876 WeakPolarHBondContact O-CB 3.34Å; S872-L876 PolarHBondContact O-N 2.88Å; S872-I919 WeakPolarHBondContact O-CD1 3.41Å; S872-K922 PolarHBondContact OG-NZ 2.91Å |
| 873 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.9 | -52.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | M842 C846 A869 V870 L875 L876 M877 I919 F923 | M842-A873 HydrophobicContact CG-CB 3.69Å; M842-A873 HydrophobicContact SD-CB 3.75Å; C846-A873 VanDerWaalsContact SG-CB 3.56Å; A869-A873 PolarHBondContact O-N 3.26Å; V870-A873 WeakPolarHBondContact O-CB 3.49Å; V870-A873 PolarHBondContact O-N 3.04Å; V870-A873 VanDerWaalsContact O-N 3.08Å; A873-L875 VanDerWaalsContact C-N 3.26Å; A873-L875 PolarHBondContact O-N 3.45Å; A873-L876 PolarHBondContact O-N 2.94Å; A873-L876 VanDerWaalsContact O-N 3.08Å; A873-M877 WeakPolarHBondContact O-CG 3.35Å; A873-M877 PolarHBondContact O-N 3.05Å; A873-I919 HydrophobicContact CB-CG2 3.94Å; A873-F923 HydrophobicContact CB-CE2 3.93Å; A873-F923 HydrophobicContact CB-CZ 4.07Å |
| 874 | Q | 97.9 | Very high | 97.2 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.2 | -38.7 | 174.1 | -69.8 | 170.1 | -7.7 | 0 | 0 | 111.7 | E850 V870 S878 | E850-Q874 PolarHBondContact OE1-NE2 3.02Å; V870-Q874 HydrophobicContact CG1-CG 4.3Å; V870-Q874 VanDerWaalsContact CG1-NE2 3.32Å; V870-Q874 WeakPolarHBondContact O-CB 3.4Å; V870-Q874 WeakPolarHBondContact O-CG 3.41Å; V870-Q874 PolarHBondContact O-N 3.07Å; Q874-S878 VanDerWaalsContact O-CB 3.27Å; Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.22Å; Q874-S878 PolarHBondContact O-OG 3.24Å |
| 875 | L | 98 | Very high | 97.3 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 174.5 | -167.1 | 71.3 | 0 | 0 | 0 | 112.9 | G871 A873 S878 Q879 | G871-L875 WeakPolarHBondContact O-CB 3.37Å; G871-L875 PolarHBondContact O-N 3.44Å; G871-L875 VanDerWaalsContact O-N 3.09Å; A873-L875 VanDerWaalsContact C-N 3.26Å; A873-L875 PolarHBondContact O-N 3.45Å; L875-S878 PolarHBondContact O-OG 3.26Å; L875-Q879 HydrophobicContact CD1-CG 4.28Å; L875-Q879 VanDerWaalsContact CD1-NE2 3.29Å; L875-Q879 WeakPolarHBondContact O-CB 3.42Å; L875-Q879 WeakPolarHBondContact O-CG 3.08Å; L875-Q879 PolarHBondContact O-N 3.22Å; L875-Q879 VanDerWaalsContact O-N 3.13Å |
| 876 | L | 97.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.8 | -168.3 | 70.7 | 0 | 0 | 0 | 111.2 | M842 S872 A873 K880 F881 L912 I916 I919 | M842-L876 HydrophobicContact CE-CD2 4.23Å; S872-L876 WeakPolarHBondContact O-CB 3.34Å; S872-L876 PolarHBondContact O-N 2.88Å; A873-L876 PolarHBondContact O-N 2.94Å; A873-L876 VanDerWaalsContact O-N 3.08Å; L876-K880 HydrophobicContact CD1-CB 3.68Å; L876-K880 HydrophobicContact CD1-CG 3.75Å; L876-K880 HydrophobicContact CG-CB 4.26Å; L876-K880 CarbonylContact O-C 3.57Å; L876-K880 WeakPolarHBondContact O-CA 3.27Å; L876-K880 WeakPolarHBondContact O-CB 3.47Å; L876-K880 PolarHBondContact O-N 3.28Å; L876-F881 HydrophobicContact CD2-CE1 3.86Å; L876-F881 HydrophobicContact CG-CD1 4.23Å; L876-F881 HydrophobicContact CG-CE1 3.94Å; L876-F881 PolarHBondContact O-N 3.28Å; L876-L912 HydrophobicContact CD1-CD1 4.17Å; L876-L912 HydrophobicContact CD2-CD1 4.5Å; L876-L912 HydrophobicContact CG-CD1 4.36Å; L876-I916 HydrophobicContact CD2-CG1 4.01Å; L876-I919 HydrophobicContact CB-CD1 3.86Å; L876-I919 HydrophobicContact CD2-CD1 3.73Å; L876-I919 HydrophobicContact CG-CD1 4.35Å |
| 877 | M | 98 | Very high | 97.3 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -68 | -53.6 | 177.8 | -63.5 | -174.2 | -65 | 0 | 0 | 111.3 | T839 M842 E843 A873 Q879 F881 Q882 | T839-M877 HydrophobicContact CG2-SD 4.04Å; M842-M877 HydrophobicContact CB-SD 3.95Å; M842-M877 HydrophobicContact CE-CG 3.91Å; M842-M877 HydrophobicContact CE-SD 4.21Å; M842-M877 HydrophobicContact CG-CE 4.21Å; M842-M877 HydrophobicContact CG-SD 3.98Å; E843-M877 HydrophobicContact CG-CE 3.77Å; E843-M877 HydrophobicContact CG-SD 3.84Å; A873-M877 WeakPolarHBondContact O-CG 3.35Å; A873-M877 PolarHBondContact O-N 3.05Å; M877-Q879 VanDerWaalsContact C-N 3.25Å; M877-Q879 PolarHBondContact O-N 3.15Å; M877-F881 HydrophobicContact CB-CD2 4.28Å; M877-F881 HydrophobicContact CB-CG 4.37Å; M877-F881 HydrophobicContact CG-CD2 3.76Å; M877-F881 HydrophobicContact CG-CE2 3.9Å; M877-F881 HydrophobicContact CG-CG 4.18Å; M877-F881 HydrophobicContact CG-CZ 4.41Å; M877-F881 WeakPolarHBondContact O-CB 3.24Å; M877-F881 PolarHBondContact O-N 3.41Å; M877-Q882 PolarHBondContact O-N 3.46Å |
| 878 | S | 97 | Very high | 97.3 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 57% | 0.573 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -63.7 | -22.7 | -178.8 | 58.6 | 0 | 0 | 0 | 0 | 115 | Q874 L875 | Q874-S878 VanDerWaalsContact O-CB 3.27Å; Q874-S878 WeakPolarHBondContact O-CB 3.42Å; Q874-S878 PolarHBondContact O-N 3.22Å; Q874-S878 PolarHBondContact O-OG 3.24Å; L875-S878 PolarHBondContact O-OG 3.26Å |
| 879 | Q | 96.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 50 Ų | 50 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -110.6 | -53.3 | 179.1 | -59.4 | -168.4 | 3.9 | 0 | 0 | 114 | L875 M877 Q883 | L875-Q879 HydrophobicContact CD1-CG 4.28Å; L875-Q879 VanDerWaalsContact CD1-NE2 3.29Å; L875-Q879 WeakPolarHBondContact O-CB 3.42Å; L875-Q879 WeakPolarHBondContact O-CG 3.08Å; L875-Q879 PolarHBondContact O-N 3.22Å; L875-Q879 VanDerWaalsContact O-N 3.13Å; M877-Q879 VanDerWaalsContact C-N 3.25Å; M877-Q879 PolarHBondContact O-N 3.15Å; Q879-Q883 WeakPolarHBondContact O-CB 3.39Å; Q879-Q883 WeakPolarHBondContact O-CG 3.29Å; Q879-Q883 PolarHBondContact O-N 2.88Å; Q879-Q883 VanDerWaalsContact O-N 3.17Å |
| 880 | K | 96.8 | Very high | 97 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -88.6 | -35 | -171.6 | -70.3 | -53.4 | -167.1 | 178.5 | 0 | 113.6 | L876 F884 L912 | L876-K880 HydrophobicContact CD1-CB 3.68Å; L876-K880 HydrophobicContact CD1-CG 3.75Å; L876-K880 HydrophobicContact CG-CB 4.26Å; L876-K880 CarbonylContact O-C 3.57Å; L876-K880 WeakPolarHBondContact O-CA 3.27Å; L876-K880 WeakPolarHBondContact O-CB 3.47Å; L876-K880 PolarHBondContact O-N 3.28Å; K880-F884 WeakPolarHBondContact O-CB 3.36Å; K880-F884 PolarHBondContact O-N 3.14Å; K880-L912 HydrophobicContact CB-CD1 3.63Å |
| 881 | F | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -70.3 | -40.5 | 174.7 | -70 | 22.5 | 0 | 0 | 0 | 109.2 | L835 E838 T839 M842 L876 M877 F884 R885 L912 I916 | L835-F881 HydrophobicContact CD1-CB 3.73Å; L835-F881 HydrophobicContact CD1-CD1 4.04Å; L835-F881 HydrophobicContact CD1-CD2 3.61Å; L835-F881 HydrophobicContact CD1-CE2 4.13Å; L835-F881 HydrophobicContact CD1-CG 3.53Å; L835-F881 HydrophobicContact CD2-CB 4.46Å; L835-F881 WeakPolarHBondContact CD2-O 3.37Å; L835-F881 HydrophobicContact CG-CB 4.38Å; L835-F881 HydrophobicContact CG-CD2 4.34Å; L835-F881 HydrophobicContact CG-CG 4.5Å; E838-F881 HydrophobicContact CB-CE2 4.29Å; E838-F881 HydrophobicContact CB-CZ 4.48Å; E838-F881 HydrophobicContact CG-CE2 3.98Å; E838-F881 HydrophobicContact CG-CZ 3.73Å; T839-F881 HydrophobicContact CG2-CD2 4.5Å; T839-F881 WeakPolarHBondContact OG1-CD2 3.39Å; M842-F881 HydrophobicContact CE-CE1 3.95Å; M842-F881 HydrophobicContact CE-CE2 3.74Å; M842-F881 HydrophobicContact CE-CZ 3.23Å; L876-F881 HydrophobicContact CD2-CE1 3.86Å; L876-F881 HydrophobicContact CG-CD1 4.23Å; L876-F881 HydrophobicContact CG-CE1 3.94Å; L876-F881 PolarHBondContact O-N 3.28Å; M877-F881 HydrophobicContact CB-CD2 4.28Å; M877-F881 HydrophobicContact CB-CG 4.37Å; M877-F881 HydrophobicContact CG-CD2 3.76Å; M877-F881 HydrophobicContact CG-CE2 3.9Å; M877-F881 HydrophobicContact CG-CG 4.18Å; M877-F881 HydrophobicContact CG-CZ 4.41Å; M877-F881 WeakPolarHBondContact O-CB 3.24Å; M877-F881 PolarHBondContact O-N 3.41Å; F881-F884 PolarHBondContact O-N 2.82Å; F881-R885 WeakPolarHBondContact O-CB 3.45Å; F881-R885 PolarHBondContact O-N 3.39Å; F881-L912 HydrophobicContact CD1-CD1 3.86Å; F881-L912 HydrophobicContact CD1-CD2 3.85Å; F881-L912 HydrophobicContact CD1-CG 4.19Å; F881-L912 HydrophobicContact CE1-CD1 3.81Å; F881-L912 HydrophobicContact CE1-CD2 3.93Å; F881-L912 HydrophobicContact CE1-CG 3.93Å; F881-I916 HydrophobicContact CE1-CD1 3.99Å; F881-I916 HydrophobicContact CE1-CG1 3.94Å; F881-I916 HydrophobicContact CZ-CD1 3.86Å; F881-I916 HydrophobicContact CZ-CG1 3.84Å |
| 882 | Q | 97.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.7 | -173.6 | 54.8 | 30.5 | 0 | 0 | 113 | M877 F884 R885 E886 | M877-Q882 PolarHBondContact O-N 3.46Å; Q882-F884 VanDerWaalsContact C-N 3.27Å; Q882-F884 PolarHBondContact O-N 3.21Å; Q882-R885 WeakPolarHBondContact O-CB 3.37Å; Q882-R885 PolarHBondContact O-N 3.42Å; Q882-E886 WeakPolarHBondContact CG-OE1 3.46Å; Q882-E886 PolarHBondContact NE2-OE1 3.41Å; Q882-E886 WeakPolarHBondContact O-CG 3.27Å; Q882-E886 PolarHBondContact O-N 3.08Å |
| 883 | Q | 96.5 | Very high | 96.2 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 173.4 | -79.1 | 169.3 | 10.6 | 0 | 0 | 112.8 | Q879 L887 | Q879-Q883 WeakPolarHBondContact O-CB 3.39Å; Q879-Q883 WeakPolarHBondContact O-CG 3.29Å; Q879-Q883 PolarHBondContact O-N 2.88Å; Q879-Q883 VanDerWaalsContact O-N 3.17Å; Q883-L887 WeakPolarHBondContact O-CG 3.32Å; Q883-L887 PolarHBondContact O-N 2.83Å |
| 884 | F | 97.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76 | -35.4 | 178.6 | -171.8 | -110.9 | 0 | 0 | 0 | 112.8 | F831 L835 K880 F881 Q882 L887 C888 L905 F908 W909 L912 | F831-F884 HydrophobicContact CB-CE1 3.84Å; F831-F884 HydrophobicContact CB-CZ 3.84Å; F831-F884 HydrophobicContact CD1-CE1 4.07Å; F831-F884 AromaticContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CD1-CZ 3.61Å; F831-F884 HydrophobicContact CE1-CZ 4.33Å; F831-F884 HydrophobicContact CG-CE1 4.28Å; F831-F884 AromaticContact CG-CZ 3.84Å; F831-F884 HydrophobicContact CG-CZ 3.84Å; L835-F884 HydrophobicContact CB-CD1 4.4Å; L835-F884 HydrophobicContact CD1-CD1 3.98Å; L835-F884 HydrophobicContact CD2-CD1 4.08Å; L835-F884 HydrophobicContact CG-CD1 4.38Å; K880-F884 WeakPolarHBondContact O-CB 3.36Å; K880-F884 PolarHBondContact O-N 3.14Å; F881-F884 PolarHBondContact O-N 2.82Å; Q882-F884 VanDerWaalsContact C-N 3.27Å; Q882-F884 PolarHBondContact O-N 3.21Å; F884-L887 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-SG 3.42Å; F884-L905 HydrophobicContact CE2-CB 4.32Å; F884-L905 HydrophobicContact CE2-CD2 4.19Å; F884-L905 WeakPolarHBondContact CE2-O 3.41Å; F884-L905 HydrophobicContact CZ-CB 4.42Å; F884-F908 HydrophobicContact CD2-CB 3.79Å; F884-F908 HydrophobicContact CE2-CB 3.76Å; F884-W909 HydrophobicContact CD1-CE3 4.05Å; F884-W909 HydrophobicContact CD1-CZ3 4.43Å; F884-W909 HydrophobicContact CE1-CD2 4.47Å; F884-W909 AromaticContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CE3 3.49Å; F884-W909 VanDerWaalsContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CZ3 4.14Å; F884-W909 HydrophobicContact CE2-CB 4.27Å; F884-W909 HydrophobicContact CZ-CB 3.88Å; F884-W909 AromaticContact CZ-CE3 3.98Å; F884-W909 HydrophobicContact CZ-CE3 3.98Å; F884-L912 HydrophobicContact CB-CD2 4.1Å; F884-L912 HydrophobicContact CD1-CD2 4.18Å; F884-L912 HydrophobicContact CG-CD2 4.15Å |
| 885 | R | 96.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 172.2 | -172.3 | -179 | -65.3 | -85.2 | 4.2 | 110.4 | L832 L835 F881 Q882 L887 C888 E889 | L832-R885 HydrophobicContact CD2-CB 4.3Å; L832-R885 HydrophobicContact CD2-CG 3.64Å; L835-R885 HydrophobicContact CD2-CB 3.82Å; F881-R885 WeakPolarHBondContact O-CB 3.45Å; F881-R885 PolarHBondContact O-N 3.39Å; Q882-R885 WeakPolarHBondContact O-CB 3.37Å; Q882-R885 PolarHBondContact O-N 3.42Å; R885-L887 PolarHBondContact O-N 3.47Å; R885-C888 WeakPolarHBondContact O-CB 3.45Å; R885-C888 PolarHBondContact O-N 2.79Å; R885-C888 VanDerWaalsContact O-N 3.16Å; R885-E889 WeakPolarHBondContact CG-OE1 3.49Å; R885-E889 WeakPolarHBondContact O-CG 3.34Å; R885-E889 PolarHBondContact O-N 2.91Å |
| 886 | E | 96.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 175.9 | -72.8 | 162.7 | -166.9 | 0 | 0 | 112 | Q882 C888 E889 E890 | Q882-E886 WeakPolarHBondContact CG-OE1 3.46Å; Q882-E886 PolarHBondContact NE2-OE1 3.41Å; Q882-E886 WeakPolarHBondContact O-CG 3.27Å; Q882-E886 PolarHBondContact O-N 3.08Å; E886-C888 VanDerWaalsContact C-N 3.29Å; E886-C888 PolarHBondContact O-N 2.97Å; E886-E889 PolarHBondContact O-N 2.95Å; E886-E889 VanDerWaalsContact O-N 3.17Å; E886-E890 WeakPolarHBondContact O-CG 3.08Å; E886-E890 PolarHBondContact O-N 3.28Å |
| 887 | L | 95.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.194 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -35.7 | 175.7 | -72.6 | 167.8 | 0 | 0 | 0 | 113 | Q883 F884 R885 N891 P900 L905 F908 | Q883-L887 WeakPolarHBondContact O-CG 3.32Å; Q883-L887 PolarHBondContact O-N 2.83Å; F884-L887 PolarHBondContact O-N 3.31Å; R885-L887 PolarHBondContact O-N 3.47Å; L887-N891 WeakPolarHBondContact O-CB 3.37Å; L887-N891 PolarHBondContact O-N 2.86Å; L887-P900 HydrophobicContact CD2-CG 3.78Å; L887-L905 HydrophobicContact CB-CD2 3.9Å; L887-F908 HydrophobicContact CD1-CD1 4.24Å; L887-F908 HydrophobicContact CD1-CD2 3.78Å; L887-F908 HydrophobicContact CD1-CE1 4.28Å; L887-F908 HydrophobicContact CD1-CE2 3.82Å; L887-F908 HydrophobicContact CD1-CG 4.01Å; L887-F908 HydrophobicContact CD1-CZ 4.08Å |
| 888 | C | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.1 | -66.8 | 0 | 0 | 0 | 0 | 112 | F831 L832 F884 R885 E886 N891 L892 | F831-C888 VanDerWaalsContact CB-SG 3.52Å; L832-C888 HydrophobicContact CD1-CB 4.18Å; L832-C888 HydrophobicContact CD2-CB 4Å; L832-C888 HydrophobicContact CG-CB 3.68Å; F884-C888 PolarHBondContact O-N 3.31Å; F884-C888 PolarHBondContact O-SG 3.42Å; R885-C888 WeakPolarHBondContact O-CB 3.45Å; R885-C888 PolarHBondContact O-N 2.79Å; R885-C888 VanDerWaalsContact O-N 3.16Å; E886-C888 VanDerWaalsContact C-N 3.29Å; E886-C888 PolarHBondContact O-N 2.97Å; C888-N891 WeakPolarHBondContact O-CB 3.33Å; C888-N891 PolarHBondContact O-N 2.83Å; C888-L892 WeakPolarHBondContact O-CG 3.36Å; C888-L892 PolarHBondContact O-N 2.8Å; C888-L892 VanDerWaalsContact O-N 3.11Å |
| 889 | E | 94.7 | Very high | 92.4 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 49% | 0.486 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 175.3 | -70.8 | 173.2 | -160.7 | 0 | 0 | 111.6 | L832 R885 E886 L892 N893 | L832-E889 HydrophobicContact CD1-CG 4.24Å; R885-E889 WeakPolarHBondContact CG-OE1 3.49Å; R885-E889 WeakPolarHBondContact O-CG 3.34Å; R885-E889 PolarHBondContact O-N 2.91Å; E886-E889 PolarHBondContact O-N 2.95Å; E886-E889 VanDerWaalsContact O-N 3.17Å; E889-L892 PolarHBondContact O-N 3.25Å; E889-L892 VanDerWaalsContact O-N 3.16Å; E889-N893 PolarHBondContact O-N 3.29Å |
| 890 | E | 94.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 69 Ų | 69 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 169.9 | -73.4 | -173.5 | 160.8 | 0 | 0 | 112.4 | E886 L892 N893 A896 P900 | E886-E890 WeakPolarHBondContact O-CG 3.08Å; E886-E890 PolarHBondContact O-N 3.28Å; E890-L892 PolarHBondContact O-N 3.2Å; E890-N893 PolarHBondContact O-N 3.4Å; E890-A896 HydrophobicContact CB-CB 4.23Å; E890-A896 WeakPolarHBondContact O-CB 3.47Å; E890-P900 HydrophobicContact CB-CG 4.08Å |
| 891 | N | 93.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -31.1 | 173 | 172.6 | -97.2 | 0 | 0 | 0 | 112.4 | G828 L887 C888 R899 P900 L905 | G828-N891 PolarHBondContact N-OD1 2.84Å; L887-N891 WeakPolarHBondContact O-CB 3.37Å; L887-N891 PolarHBondContact O-N 2.86Å; C888-N891 WeakPolarHBondContact O-CB 3.33Å; C888-N891 PolarHBondContact O-N 2.83Å; N891-R899 PolarHBondContact O-NE 3.13Å; N891-R899 PolarHBondContact O-NH2 3.13Å; N891-P900 PolarHBondContact ND2-O 3.15Å; N891-L905 HydrophobicContact CB-CD1 3.66Å; N891-L905 HydrophobicContact CB-CD2 4.46Å; N891-L905 HydrophobicContact CB-CG 4.26Å |
| 892 | L | 91.9 | Very high | 91.6 | Very high | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -83.9 | -24.2 | 176.5 | -63.2 | 178.5 | 0 | 0 | 0 | 113.4 | D827 R829 L832 C888 E889 E890 P894 | D827-L892 HydrophobicContact CB-CD2 4.32Å; R829-L892 HydrophobicContact CB-CD1 4.5Å; R829-L892 HydrophobicContact CG-CD1 3.52Å; R829-L892 HydrophobicContact CG-CD2 3.76Å; R829-L892 HydrophobicContact CG-CG 4.29Å; L832-L892 HydrophobicContact CD1-CD1 4.07Å; C888-L892 WeakPolarHBondContact O-CG 3.36Å; C888-L892 PolarHBondContact O-N 2.8Å; C888-L892 VanDerWaalsContact O-N 3.11Å; E889-L892 PolarHBondContact O-N 3.25Å; E889-L892 VanDerWaalsContact O-N 3.16Å; E890-L892 PolarHBondContact O-N 3.2Å; L892-P894 WeakPolarHBondContact O-CD 3.48Å |
| 893 | N | 91.2 | Very high | 91.4 | Very high | 68 Ų | 68 | 73.9 Ų | 73.9 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | trans | -76.2 | 114 | 177.3 | -176.2 | -1.4 | 0 | 0 | 0 | 111.3 | E889 E890 N895 A896 | E889-N893 PolarHBondContact O-N 3.29Å; E890-N893 PolarHBondContact O-N 3.4Å; N893-N895 PolarHBondContact O-N 3.01Å; N893-N895 VanDerWaalsContact O-N 3.11Å; N893-N895 WeakPolarHBondContact OD1-CB 3.2Å; N893-N895 PolarHBondContact OD1-N 2.99Å; N893-N895 PolarHBondContact OD1-ND2 3.18Å; N893-A896 HydrophobicContact CB-CB 4.28Å; N893-A896 PolarHBondContact O-N 2.8Å | ||
| 894 | P | 86.8 | Confident | 91.3 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.5 | 179.4 | 28.6 | -34.8 | 0 | 0 | 0 | 113.5 | L892 | L892-P894 WeakPolarHBondContact O-CD 3.48Š|
| 895 | N | 90.3 | Very high | 91.2 | Very high | 126 Ų | 126 | 72.9 Ų | 72.9 | 67% | 0.674 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.6 | -178.4 | -44.9 | -84.6 | 0 | 0 | 0 | 113.5 | N893 | N893-N895 PolarHBondContact O-N 3.01Å; N893-N895 VanDerWaalsContact O-N 3.11Å; N893-N895 WeakPolarHBondContact OD1-CB 3.2Å; N893-N895 PolarHBondContact OD1-N 2.99Å; N893-N895 PolarHBondContact OD1-ND2 3.18Å |
| 896 | A | 86 | Confident | 91.1 | Very high | 10 Ų | 10 | 71.3 Ų | 71.3 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | trans | -72.5 | 134.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E890 N893 R899 | E890-A896 HydrophobicContact CB-CB 4.23Å; E890-A896 WeakPolarHBondContact O-CB 3.47Å; N893-A896 HydrophobicContact CB-CB 4.28Å; N893-A896 PolarHBondContact O-N 2.8Å; A896-R899 HydrophobicContact CB-CB 4.22Å; A896-R899 HydrophobicContact CB-CG 4.37Å; A896-R899 WeakPolarHBondContact O-CB 3.27Å; A896-R899 PolarHBondContact O-N 2.95Å | ||
| 897 | H | 74.4 | Confident | 91.1 | Very high | 172 Ų | 172 | 68.7 Ų | 68.7 | 80% | 0.796 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -141.8 | 111.5 | -178 | -70.2 | -20.1 | 0 | 0 | 0 | 111 | ||
| 898 | P | 82.9 | Confident | 91.1 | Very high | 123 Ų | 123 | 71.9 Ų | 71.9 | 80% | 0.799 | 39% | 0.386 | S | S | * | . | S | Bend | cis | -65 | 145.5 | -8.2 | 30.5 | -35.4 | 0 | 0 | 0 | 111.4 | ||
| 899 | R | 88.6 | Confident | 91.2 | Very high | 120 Ų | 120 | 73 Ų | 73 | 45% | 0.453 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 122.6 | 171.2 | -175.6 | 170.2 | 173.9 | -160.6 | -2.2 | 108.4 | N891 A896 V901 | N891-R899 PolarHBondContact O-NE 3.13Å; N891-R899 PolarHBondContact O-NH2 3.13Å; A896-R899 HydrophobicContact CB-CB 4.22Å; A896-R899 HydrophobicContact CB-CG 4.37Å; A896-R899 WeakPolarHBondContact O-CB 3.27Å; A896-R899 PolarHBondContact O-N 2.95Å; R899-V901 PolarHBondContact O-N 3.43Å |
| 900 | P | 89.6 | Confident | 91.3 | Very high | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.078 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 133.6 | 171 | -21.3 | 32.4 | 0 | 0 | 0 | 109.8 | L887 E890 N891 D904 L905 | L887-P900 HydrophobicContact CD2-CG 3.78Å; E890-P900 HydrophobicContact CB-CG 4.08Å; N891-P900 PolarHBondContact ND2-O 3.15Å; P900-D904 HydrophobicContact CB-CB 4.45Å; P900-L905 HydrophobicContact CB-CD2 4.35Å |
| 901 | V | 91.4 | Very high | 91.4 | Very high | 81 Ų | 81 | 74.4 Ų | 74.4 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 161 | 172.9 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | R899 Q903 D904 L905 | R899-V901 PolarHBondContact O-N 3.43Å; V901-Q903 HydrophobicContact CG2-CB 4.12Å; V901-Q903 PolarHBondContact O-N 3.29Å; V901-D904 HydrophobicContact CG2-CB 4.41Å; V901-D904 VanDerWaalsContact CG2-OD2 3.32Å; V901-D904 WeakPolarHBondContact CG2-OD2 3.43Å; V901-D904 PolarHBondContact N-OD2 2.93Å; V901-D904 WeakPolarHBondContact O-CA 3.32Å; V901-D904 WeakPolarHBondContact O-CB 3.41Å; V901-D904 PolarHBondContact O-N 3.09Å; V901-L905 PolarHBondContact O-N 2.68Å; V901-L905 VanDerWaalsContact O-N 3.13Å |
| 902 | S | 92.4 | Very high | 91.6 | Very high | 48 Ų | 48 | 74.5 Ų | 74.5 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -52.5 | -28.9 | 176.3 | -72.9 | 0 | 0 | 0 | 0 | 114.2 | R826 A906 | R826-S902 WeakPolarHBondContact O-CB 3.38Å; R826-S902 PolarHBondContact O-OG 2.92Å; S902-A906 PolarHBondContact O-N 3.31Å; S902-A906 VanDerWaalsContact O-N 3.08Å |
| 903 | Q | 93.4 | Very high | 91.9 | Very high | 161 Ų | 161 | 74.6 Ų | 74.6 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.2 | -32.2 | 175.7 | -172.8 | 172.5 | -1.6 | 0 | 0 | 112.8 | V901 A906 G907 | V901-Q903 HydrophobicContact CG2-CB 4.12Å; V901-Q903 PolarHBondContact O-N 3.29Å; Q903-A906 PolarHBondContact O-N 2.91Å; Q903-G907 PolarHBondContact O-N 2.88Å |
| 904 | D | 94.2 | Very high | 92.1 | Very high | 76 Ų | 76 | 76.2 Ų | 76.2 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67 | -45 | 172.9 | -55.8 | -32.4 | 0 | 0 | 0 | 109.3 | P900 V901 A906 G907 F908 | P900-D904 HydrophobicContact CB-CB 4.45Å; V901-D904 HydrophobicContact CG2-CB 4.41Å; V901-D904 VanDerWaalsContact CG2-OD2 3.32Å; V901-D904 WeakPolarHBondContact CG2-OD2 3.43Å; V901-D904 PolarHBondContact N-OD2 2.93Å; V901-D904 WeakPolarHBondContact O-CA 3.32Å; V901-D904 WeakPolarHBondContact O-CB 3.41Å; V901-D904 PolarHBondContact O-N 3.09Å; D904-A906 VanDerWaalsContact C-N 3.3Å; D904-A906 PolarHBondContact O-N 3.49Å; D904-G907 PolarHBondContact O-N 2.7Å; D904-G907 VanDerWaalsContact O-N 3.14Å; D904-F908 HydrophobicContact CB-CD2 4.47Å; D904-F908 WeakPolarHBondContact O-CD2 3.4Å; D904-F908 PolarHBondContact O-N 3.46Å |
| 905 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 174.9 | -63.4 | -172.1 | 0 | 0 | 0 | 112 | F831 F884 L887 N891 P900 V901 F908 W909 | F831-L905 HydrophobicContact CD2-CB 3.6Å; F831-L905 HydrophobicContact CD2-CD1 3.68Å; F831-L905 HydrophobicContact CD2-CG 4.32Å; F831-L905 HydrophobicContact CE2-CB 3.53Å; F831-L905 HydrophobicContact CE2-CD1 4.28Å; F831-L905 HydrophobicContact CG-CB 4.23Å; F831-L905 HydrophobicContact CG-CD1 4.4Å; F831-L905 HydrophobicContact CZ-CB 4.11Å; F884-L905 HydrophobicContact CE2-CB 4.32Å; F884-L905 HydrophobicContact CE2-CD2 4.19Å; F884-L905 WeakPolarHBondContact CE2-O 3.41Å; F884-L905 HydrophobicContact CZ-CB 4.42Å; L887-L905 HydrophobicContact CB-CD2 3.9Å; N891-L905 HydrophobicContact CB-CD1 3.66Å; N891-L905 HydrophobicContact CB-CD2 4.46Å; N891-L905 HydrophobicContact CB-CG 4.26Å; P900-L905 HydrophobicContact CB-CD2 4.35Å; V901-L905 PolarHBondContact O-N 2.68Å; V901-L905 VanDerWaalsContact O-N 3.13Å; L905-F908 PolarHBondContact O-N 3.47Å; L905-W909 VanDerWaalsContact O-CB 3.27Å; L905-W909 WeakPolarHBondContact O-CB 3.39Å; L905-W909 PolarHBondContact O-N 3.34Å |
| 906 | A | 95.4 | Very high | 93 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F831 S902 Q903 D904 F908 W909 D910 | F831-A906 HydrophobicContact CZ-CB 3.96Å; S902-A906 PolarHBondContact O-N 3.31Å; S902-A906 VanDerWaalsContact O-N 3.08Å; Q903-A906 PolarHBondContact O-N 2.91Å; D904-A906 VanDerWaalsContact C-N 3.3Å; D904-A906 PolarHBondContact O-N 3.49Å; A906-F908 PolarHBondContact O-N 3.18Å; A906-W909 PolarHBondContact O-N 2.78Å; A906-D910 VanDerWaalsContact O-CG 3.28Å; A906-D910 PolarHBondContact O-N 2.78Å |
| 907 | G | 95.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 72.6 Ų | 72.6 | 38% | 0.381 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q903 D904 M911 | Q903-G907 PolarHBondContact O-N 2.88Å; D904-G907 PolarHBondContact O-N 2.7Å; D904-G907 VanDerWaalsContact O-N 3.14Å; G907-M911 WeakPolarHBondContact O-CG 3.4Å; G907-M911 PolarHBondContact O-N 3.39Å |
| 908 | F | 95.9 | Very high | 94.6 | Very high | 105 Ų | 105 | 69.2 Ų | 69.2 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 172 | -79.8 | -65.8 | 0 | 0 | 0 | 112 | F884 L887 D904 L905 A906 M911 L912 | F884-F908 HydrophobicContact CD2-CB 3.79Å; F884-F908 HydrophobicContact CE2-CB 3.76Å; L887-F908 HydrophobicContact CD1-CD1 4.24Å; L887-F908 HydrophobicContact CD1-CD2 3.78Å; L887-F908 HydrophobicContact CD1-CE1 4.28Å; L887-F908 HydrophobicContact CD1-CE2 3.82Å; L887-F908 HydrophobicContact CD1-CG 4.01Å; L887-F908 HydrophobicContact CD1-CZ 4.08Å; D904-F908 HydrophobicContact CB-CD2 4.47Å; D904-F908 WeakPolarHBondContact O-CD2 3.4Å; D904-F908 PolarHBondContact O-N 3.46Å; L905-F908 PolarHBondContact O-N 3.47Å; A906-F908 PolarHBondContact O-N 3.18Å; F908-M911 PolarHBondContact O-N 3.35Å; F908-L912 WeakPolarHBondContact O-CB 3.37Å; F908-L912 PolarHBondContact O-N 3.42Å |
| 909 | W | 97.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176 | 180 | -96.8 | 0 | 0 | 0 | 112 | F831 L834 L835 E838 F884 L905 A906 M911 L912 Q913 I916 | F831-W909 HydrophobicContact CD1-CB 4.03Å; F831-W909 HydrophobicContact CD1-CD2 4.4Å; F831-W909 HydrophobicContact CD1-CG 4.14Å; F831-W909 HydrophobicContact CE1-CB 3.62Å; F831-W909 AromaticContact CE1-CG 3.87Å; F831-W909 HydrophobicContact CE1-CG 3.87Å; L834-W909 HydrophobicContact CD1-CZ2 4.36Å; L834-W909 HydrophobicContact CD2-CD2 4.12Å; L834-W909 VanDerWaalsContact CD2-CE2 3.47Å; L834-W909 HydrophobicContact CD2-CH2 4.1Å; L834-W909 HydrophobicContact CD2-CZ2 3.47Å; L834-W909 VanDerWaalsContact CD2-CZ2 3.47Å; L834-W909 HydrophobicContact CG-CH2 3.76Å; L834-W909 HydrophobicContact CG-CZ2 3.54Å; L834-W909 HydrophobicContact CG-CZ3 4.45Å; L835-W909 HydrophobicContact CB-CZ3 4.3Å; L835-W909 HydrophobicContact CD1-CZ3 4.05Å; E838-W909 HydrophobicContact CB-CH2 4.27Å; E838-W909 HydrophobicContact CG-CH2 4.48Å; F884-W909 HydrophobicContact CD1-CE3 4.05Å; F884-W909 HydrophobicContact CD1-CZ3 4.43Å; F884-W909 HydrophobicContact CE1-CD2 4.47Å; F884-W909 AromaticContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CE3 3.49Å; F884-W909 VanDerWaalsContact CE1-CE3 3.49Å; F884-W909 HydrophobicContact CE1-CZ3 4.14Å; F884-W909 HydrophobicContact CE2-CB 4.27Å; F884-W909 HydrophobicContact CZ-CB 3.88Å; F884-W909 AromaticContact CZ-CE3 3.98Å; F884-W909 HydrophobicContact CZ-CE3 3.98Å; L905-W909 VanDerWaalsContact O-CB 3.27Å; L905-W909 WeakPolarHBondContact O-CB 3.39Å; L905-W909 PolarHBondContact O-N 3.34Å; A906-W909 PolarHBondContact O-N 2.78Å; W909-M911 VanDerWaalsContact C-N 3.27Å; W909-M911 PolarHBondContact O-N 3.34Å; W909-L912 HydrophobicContact CE3-CD2 4.12Å; W909-L912 HydrophobicContact CZ3-CD2 4.05Å; W909-L912 CarbonylContact O-C 3.59Å; W909-L912 WeakPolarHBondContact O-CA 3.49Å; W909-L912 WeakPolarHBondContact O-CB 3.19Å; W909-L912 PolarHBondContact O-N 2.93Å; W909-Q913 PolarHBondContact O-N 3.44Å; W909-I916 HydrophobicContact CH2-CD1 4.33Å |
| 910 | D | 97.1 | Very high | 95.7 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.5 | -40 | 178.2 | -66.7 | -17.7 | 0 | 0 | 0 | 111.3 | A906 L912 Q913 L914 | A906-D910 VanDerWaalsContact O-CG 3.28Å; A906-D910 PolarHBondContact O-N 2.78Å; D910-L912 VanDerWaalsContact C-N 3.35Å; D910-Q913 PolarHBondContact O-N 2.88Å; D910-L914 PolarHBondContact O-N 3.07Å |
| 911 | M | 96.1 | Very high | 96.1 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.3 | -29.5 | 173.5 | -71.9 | -59.1 | -47.2 | 0 | 0 | 113.6 | G907 F908 W909 L914 S915 | G907-M911 WeakPolarHBondContact O-CG 3.4Å; G907-M911 PolarHBondContact O-N 3.39Å; F908-M911 PolarHBondContact O-N 3.35Å; W909-M911 VanDerWaalsContact C-N 3.27Å; W909-M911 PolarHBondContact O-N 3.34Å; M911-L914 HydrophobicContact CE-CD1 4.4Å; M911-L914 HydrophobicContact SD-CD1 4.19Å; M911-S915 PolarHBondContact O-OG 3.19Å |
| 912 | L | 97.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 173.8 | -168.8 | 57.4 | 0 | 0 | 0 | 111 | L835 L876 K880 F881 F884 F908 W909 D910 L914 S915 I916 | L835-L912 HydrophobicContact CD1-CD2 3.96Å; L876-L912 HydrophobicContact CD1-CD1 4.17Å; L876-L912 HydrophobicContact CD2-CD1 4.5Å; L876-L912 HydrophobicContact CG-CD1 4.36Å; K880-L912 HydrophobicContact CB-CD1 3.63Å; F881-L912 HydrophobicContact CD1-CD1 3.86Å; F881-L912 HydrophobicContact CD1-CD2 3.85Å; F881-L912 HydrophobicContact CD1-CG 4.19Å; F881-L912 HydrophobicContact CE1-CD1 3.81Å; F881-L912 HydrophobicContact CE1-CD2 3.93Å; F881-L912 HydrophobicContact CE1-CG 3.93Å; F884-L912 HydrophobicContact CB-CD2 4.1Å; F884-L912 HydrophobicContact CD1-CD2 4.18Å; F884-L912 HydrophobicContact CG-CD2 4.15Å; F908-L912 WeakPolarHBondContact O-CB 3.37Å; F908-L912 PolarHBondContact O-N 3.42Å; W909-L912 HydrophobicContact CE3-CD2 4.12Å; W909-L912 HydrophobicContact CZ3-CD2 4.05Å; W909-L912 CarbonylContact O-C 3.59Å; W909-L912 WeakPolarHBondContact O-CA 3.49Å; W909-L912 WeakPolarHBondContact O-CB 3.19Å; W909-L912 PolarHBondContact O-N 2.93Å; D910-L912 VanDerWaalsContact C-N 3.35Å; L912-L914 PolarHBondContact O-N 3.14Å; L912-S915 CarbonylContact O-C 3.6Å; L912-S915 WeakPolarHBondContact O-CA 3.45Å; L912-S915 VanDerWaalsContact O-CB 3.24Å; L912-S915 WeakPolarHBondContact O-CB 3.42Å; L912-S915 PolarHBondContact O-N 3.33Å; L912-I916 HydrophobicContact CG-CD1 3.96Å; L912-I916 WeakPolarHBondContact O-CG1 3.33Å; L912-I916 PolarHBondContact O-N 3.06Å |
| 913 | Q | 97.5 | Very high | 96.6 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.9 | -158.1 | 68.2 | 3 | 0 | 0 | 112 | W909 D910 S915 I916 E917 | W909-Q913 PolarHBondContact O-N 3.44Å; D910-Q913 PolarHBondContact O-N 2.88Å; Q913-S915 PolarHBondContact O-N 3.04Å; Q913-I916 WeakPolarHBondContact O-CB 3.32Å; Q913-I916 PolarHBondContact O-N 3.13Å; Q913-I916 VanDerWaalsContact O-N 3.13Å; Q913-E917 WeakPolarHBondContact O-CB 3.41Å; Q913-E917 WeakPolarHBondContact O-CG 3.16Å; Q913-E917 PolarHBondContact O-N 2.88Å |
| 914 | L | 96.8 | Very high | 96.7 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 53% | 0.534 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -31 | 170.9 | -68.1 | 173 | 0 | 0 | 0 | 113.1 | D910 M911 L912 N918 | D910-L914 PolarHBondContact O-N 3.07Å; M911-L914 HydrophobicContact CE-CD1 4.4Å; M911-L914 HydrophobicContact SD-CD1 4.19Å; L912-L914 PolarHBondContact O-N 3.14Å; L914-N918 WeakPolarHBondContact O-CB 3.36Å; L914-N918 PolarHBondContact O-N 2.86Å |
| 915 | S | 96.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78.6 | -37.3 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | M911 L912 Q913 I919 | M911-S915 PolarHBondContact O-OG 3.19Å; L912-S915 CarbonylContact O-C 3.6Å; L912-S915 WeakPolarHBondContact O-CA 3.45Å; L912-S915 VanDerWaalsContact O-CB 3.24Å; L912-S915 WeakPolarHBondContact O-CB 3.42Å; L912-S915 PolarHBondContact O-N 3.33Å; Q913-S915 PolarHBondContact O-N 3.04Å; S915-I919 WeakPolarHBondContact O-CG1 3.36Å; S915-I919 PolarHBondContact O-N 2.78Å |
| 916 | I | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 174.2 | -69.5 | 154.7 | 0 | 0 | 0 | 110.7 | E838 M842 L876 F881 W909 L912 Q913 N918 I919 S920 | E838-I916 HydrophobicContact CG-CD1 3.65Å; E838-I916 HydrophobicContact CG-CG1 4.13Å; E838-I916 HydrophobicContact CG-CG2 4.23Å; E838-I916 WeakPolarHBondContact OE1-CG2 3.46Å; M842-I916 HydrophobicContact CE-CG1 4.34Å; L876-I916 HydrophobicContact CD2-CG1 4.01Å; F881-I916 HydrophobicContact CE1-CD1 3.99Å; F881-I916 HydrophobicContact CE1-CG1 3.94Å; F881-I916 HydrophobicContact CZ-CD1 3.86Å; F881-I916 HydrophobicContact CZ-CG1 3.84Å; W909-I916 HydrophobicContact CH2-CD1 4.33Å; L912-I916 HydrophobicContact CG-CD1 3.96Å; L912-I916 WeakPolarHBondContact O-CG1 3.33Å; L912-I916 PolarHBondContact O-N 3.06Å; Q913-I916 WeakPolarHBondContact O-CB 3.32Å; Q913-I916 PolarHBondContact O-N 3.13Å; Q913-I916 VanDerWaalsContact O-N 3.13Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.74Å; I916-I919 CarbonylContact O-C 3.52Å; I916-I919 WeakPolarHBondContact O-CA 3.45Å; I916-I919 PolarHBondContact O-N 3.23Å; I916-S920 PolarHBondContact O-N 2.8Å |
| 917 | E | 97.5 | Very high | 96.8 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 178.2 | -73.9 | 173.7 | -170.8 | 0 | 0 | 111.7 | Q913 I919 S920 L921 | Q913-E917 WeakPolarHBondContact O-CB 3.41Å; Q913-E917 WeakPolarHBondContact O-CG 3.16Å; Q913-E917 PolarHBondContact O-N 2.88Å; E917-I919 PolarHBondContact O-N 2.95Å; E917-S920 WeakPolarHBondContact O-CB 3.33Å; E917-S920 PolarHBondContact O-N 3.16Å; E917-L921 WeakPolarHBondContact O-CG 3.32Å; E917-L921 PolarHBondContact O-N 3.33Å |
| 918 | N | 97 | Very high | 96.7 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -23.4 | 176 | 177.8 | 82.2 | 0 | 0 | 0 | 113.6 | L914 I916 | L914-N918 WeakPolarHBondContact O-CB 3.36Å; L914-N918 PolarHBondContact O-N 2.86Å; I916-N918 VanDerWaalsContact C-N 3.33Å; I916-N918 PolarHBondContact O-N 2.74Å |
| 919 | I | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -88.9 | -38 | 174.2 | -68.2 | 177.3 | 0 | 0 | 0 | 111.2 | M842 S872 A873 L876 S915 I916 E917 L921 K922 F923 | M842-I919 HydrophobicContact SD-CB 4.4Å; M842-I919 HydrophobicContact SD-CG2 3.73Å; S872-I919 WeakPolarHBondContact O-CD1 3.41Å; A873-I919 HydrophobicContact CB-CG2 3.94Å; L876-I919 HydrophobicContact CB-CD1 3.86Å; L876-I919 HydrophobicContact CD2-CD1 3.73Å; L876-I919 HydrophobicContact CG-CD1 4.35Å; S915-I919 WeakPolarHBondContact O-CG1 3.36Å; S915-I919 PolarHBondContact O-N 2.78Å; I916-I919 CarbonylContact O-C 3.52Å; I916-I919 WeakPolarHBondContact O-CA 3.45Å; I916-I919 PolarHBondContact O-N 3.23Å; E917-I919 PolarHBondContact O-N 2.95Å; I919-L921 VanDerWaalsContact C-N 3.27Å; I919-L921 PolarHBondContact O-N 3.32Å; I919-K922 WeakPolarHBondContact O-CB 3.36Å; I919-K922 PolarHBondContact O-N 2.93Å; I919-F923 HydrophobicContact CG2-CD2 3.81Å; I919-F923 HydrophobicContact CG2-CE2 3.56Å; I919-F923 WeakPolarHBondContact O-CD2 3.41Å; I919-F923 PolarHBondContact O-N 2.93Å; I919-F923 VanDerWaalsContact O-N 3.15Å |
| 920 | S | 97.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.161 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.2 | -48.8 | 169.7 | -170.5 | 0 | 0 | 0 | 0 | 110.3 | I916 E917 K922 F923 D924 | I916-S920 PolarHBondContact O-N 2.8Å; E917-S920 WeakPolarHBondContact O-CB 3.33Å; E917-S920 PolarHBondContact O-N 3.16Å; S920-K922 PolarHBondContact O-N 2.85Å; S920-K922 VanDerWaalsContact O-N 3.12Å; S920-F923 CarbonylContact O-C 3.6Å; S920-F923 WeakPolarHBondContact O-CA 3.28Å; S920-F923 PolarHBondContact O-N 3.11Å; S920-D924 VanDerWaalsContact C-OD2 3.3Å; S920-D924 VanDerWaalsContact O-CG 3.23Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 VanDerWaalsContact O-OD2 3.04Å; S920-D924 PolarHBondContact OG-OD2 3.37Å |
| 921 | L | 97.3 | Very high | 95.9 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.4 | -29.5 | 178.2 | -71.2 | 173.3 | 0 | 0 | 0 | 114.1 | E917 I919 E925 | E917-L921 WeakPolarHBondContact O-CG 3.32Å; E917-L921 PolarHBondContact O-N 3.33Å; I919-L921 VanDerWaalsContact C-N 3.27Å; I919-L921 PolarHBondContact O-N 3.32Å; L921-E925 PolarHBondContact O-N 3.19Å; L921-E925 VanDerWaalsContact O-N 3.13Å |
| 922 | K | 97 | Very high | 95.6 | Very high | 59 Ų | 59 | 55 Ų | 55 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -73.4 | -44.7 | 172.9 | -62.4 | -177.1 | 177.3 | -176.2 | 0 | 111.6 | S868 A869 S872 I919 S920 D924 E925 L926 | S868-K922 PolarHBondContact O-NZ 3.17Å; A869-K922 HydrophobicContact CB-CB 3.84Å; A869-K922 HydrophobicContact CB-CD 4.05Å; S872-K922 PolarHBondContact OG-NZ 2.91Å; I919-K922 WeakPolarHBondContact O-CB 3.36Å; I919-K922 PolarHBondContact O-N 2.93Å; S920-K922 PolarHBondContact O-N 2.85Å; S920-K922 VanDerWaalsContact O-N 3.12Å; K922-D924 VanDerWaalsContact C-N 3.27Å; K922-D924 PolarHBondContact O-N 2.96Å; K922-E925 WeakPolarHBondContact O-CB 3.48Å; K922-E925 PolarHBondContact O-N 3.01Å; K922-L926 WeakPolarHBondContact O-CG 3.4Å; K922-L926 PolarHBondContact O-N 2.79Å |
| 923 | F | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | 174.7 | -73.9 | -68.7 | 0 | 0 | 0 | 111 | W845 M849 A869 V870 A873 I919 S920 E925 L926 H927 | W845-F923 HydrophobicContact CB-CD1 3.82Å; W845-F923 HydrophobicContact CB-CD2 4.07Å; W845-F923 HydrophobicContact CB-CE1 3.74Å; W845-F923 HydrophobicContact CB-CE2 3.99Å; W845-F923 HydrophobicContact CB-CG 3.98Å; W845-F923 HydrophobicContact CB-CZ 3.83Å; W845-F923 HydrophobicContact CD2-CB 4.49Å; W845-F923 HydrophobicContact CD2-CD2 4.18Å; W845-F923 HydrophobicContact CD2-CG 4.34Å; W845-F923 HydrophobicContact CE3-CB 4.48Å; W845-F923 AromaticContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CD2 3.6Å; W845-F923 HydrophobicContact CE3-CE2 4.05Å; W845-F923 HydrophobicContact CE3-CG 4.19Å; W845-F923 HydrophobicContact CG-CD2 4.43Å; W845-F923 HydrophobicContact CG-CG 4.32Å; W845-F923 HydrophobicContact CZ3-CD2 4.33Å; M849-F923 HydrophobicContact CB-CE1 4.3Å; M849-F923 HydrophobicContact CG-CD1 3.62Å; M849-F923 HydrophobicContact CG-CE1 3.61Å; A869-F923 HydrophobicContact CB-CD1 4.48Å; A869-F923 HydrophobicContact CB-CE1 4.27Å; A869-F923 HydrophobicContact CB-CZ 4.39Å; V870-F923 HydrophobicContact CG2-CE1 4.14Å; V870-F923 HydrophobicContact CG2-CZ 4.36Å; A873-F923 HydrophobicContact CB-CE2 3.93Å; A873-F923 HydrophobicContact CB-CZ 4.07Å; I919-F923 HydrophobicContact CG2-CD2 3.81Å; I919-F923 HydrophobicContact CG2-CE2 3.56Å; I919-F923 WeakPolarHBondContact O-CD2 3.41Å; I919-F923 PolarHBondContact O-N 2.93Å; I919-F923 VanDerWaalsContact O-N 3.15Å; S920-F923 CarbonylContact O-C 3.6Å; S920-F923 WeakPolarHBondContact O-CA 3.28Å; S920-F923 PolarHBondContact O-N 3.11Å; F923-E925 PolarHBondContact O-N 3.31Å; F923-L926 HydrophobicContact CD1-CD1 4.27Å; F923-L926 CarbonylContact O-C 3.31Å; F923-L926 PolarHBondContact O-N 2.92Å; F923-L926 VanDerWaalsContact O-N 3.16Å; F923-H927 WeakPolarHBondContact O-CB 3.36Å; F923-H927 VanDerWaalsContact O-CG 3.23Å; F923-H927 PolarHBondContact O-N 3.34Å; F923-H927 PolarHBondContact O-ND1 3.5Å |
| 924 | D | 96.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.342 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 173.3 | -65.2 | -42.4 | 0 | 0 | 0 | 112.1 | S920 K922 Q928 | S920-D924 VanDerWaalsContact C-OD2 3.3Å; S920-D924 VanDerWaalsContact O-CG 3.23Å; S920-D924 PolarHBondContact O-N 3.16Å; S920-D924 VanDerWaalsContact O-OD2 3.04Å; S920-D924 PolarHBondContact OG-OD2 3.37Å; K922-D924 VanDerWaalsContact C-N 3.27Å; K922-D924 PolarHBondContact O-N 2.96Å; D924-Q928 WeakPolarHBondContact O-CB 3.49Å; D924-Q928 VanDerWaalsContact O-CG 3.26Å; D924-Q928 WeakPolarHBondContact O-CG 3.5Å; D924-Q928 PolarHBondContact O-N 3.49Å; D924-Q928 VanDerWaalsContact O-N 3.11Å; D924-Q928 PolarHBondContact O-NE2 2.92Å |
| 925 | E | 95.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 169.4 | -168.8 | -170.5 | 161.7 | 0 | 0 | 111 | K865 L921 K922 F923 Q928 L929 | K865-E925 WeakPolarHBondContact CD-OE1 3.37Å; K865-E925 VanDerWaalsContact CE-OE1 3.31Å; K865-E925 WeakPolarHBondContact CE-OE1 3.4Å; K865-E925 IonicContact NZ-OE1 3.36Å; K865-E925 PolarHBondContact NZ-OE1 3.17Å; L921-E925 PolarHBondContact O-N 3.19Å; L921-E925 VanDerWaalsContact O-N 3.13Å; K922-E925 WeakPolarHBondContact O-CB 3.48Å; K922-E925 PolarHBondContact O-N 3.01Å; F923-E925 PolarHBondContact O-N 3.31Å; E925-Q928 WeakPolarHBondContact O-CB 3.43Å; E925-Q928 PolarHBondContact O-N 3.1Å; E925-L929 HydrophobicContact CG-CD1 4.35Å; E925-L929 WeakPolarHBondContact O-CG 3.21Å; E925-L929 PolarHBondContact O-N 3.3Å |
| 926 | L | 95.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 179.7 | -68.4 | 171.6 | 0 | 0 | 0 | 112.9 | M849 K865 I866 A869 K922 F923 Q928 L929 K930 | M849-L926 HydrophobicContact CG-CD1 4.08Å; M849-L926 HydrophobicContact SD-CB 3.58Å; M849-L926 VanDerWaalsContact SD-CB 3.58Å; M849-L926 HydrophobicContact SD-CD1 3.94Å; M849-L926 HydrophobicContact SD-CG 4.32Å; K865-L926 HydrophobicContact CB-CD2 3.74Å; I866-L926 HydrophobicContact CG1-CD1 4.04Å; I866-L926 HydrophobicContact CG1-CD2 3.64Å; I866-L926 HydrophobicContact CG1-CG 4.45Å; A869-L926 HydrophobicContact CB-CD1 3.56Å; K922-L926 WeakPolarHBondContact O-CG 3.4Å; K922-L926 PolarHBondContact O-N 2.79Å; F923-L926 HydrophobicContact CD1-CD1 4.27Å; F923-L926 CarbonylContact O-C 3.31Å; F923-L926 PolarHBondContact O-N 2.92Å; F923-L926 VanDerWaalsContact O-N 3.16Å; L926-Q928 VanDerWaalsContact C-N 3.3Å; L926-Q928 PolarHBondContact O-N 3.49Å; L926-L929 HydrophobicContact CD2-CD1 4.34Å; L926-L929 PolarHBondContact O-N 3.25Å; L926-K930 PolarHBondContact O-N 2.83Å |
| 927 | H | 95.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 30% | 0.296 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 173.5 | -67.4 | 131.4 | 0 | 0 | 0 | 111.8 | F923 K930 A931 | F923-H927 WeakPolarHBondContact O-CB 3.36Å; F923-H927 VanDerWaalsContact O-CG 3.23Å; F923-H927 PolarHBondContact O-N 3.34Å; F923-H927 PolarHBondContact O-ND1 3.5Å; H927-K930 PolarHBondContact O-N 3.22Å; H927-A931 WeakPolarHBondContact O-CB 3.46Å; H927-A931 PolarHBondContact O-N 2.68Å |
| 928 | Q | 94.1 | Very high | 89 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 172.3 | -74.9 | 168.7 | 87.6 | 0 | 0 | 112.4 | D924 E925 L926 A931 N932 L937 | D924-Q928 WeakPolarHBondContact O-CB 3.49Å; D924-Q928 VanDerWaalsContact O-CG 3.26Å; D924-Q928 WeakPolarHBondContact O-CG 3.5Å; D924-Q928 PolarHBondContact O-N 3.49Å; D924-Q928 VanDerWaalsContact O-N 3.11Å; D924-Q928 PolarHBondContact O-NE2 2.92Å; E925-Q928 WeakPolarHBondContact O-CB 3.43Å; E925-Q928 PolarHBondContact O-N 3.1Å; L926-Q928 VanDerWaalsContact C-N 3.3Å; L926-Q928 PolarHBondContact O-N 3.49Å; Q928-A931 PolarHBondContact O-N 3.32Å; Q928-N932 WeakPolarHBondContact O-CB 3.39Å; Q928-N932 PolarHBondContact O-N 2.81Å; Q928-L937 HydrophobicContact CB-CD1 4.14Å |
| 929 | L | 91.5 | Very high | 87 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 173 | -69.4 | 169.3 | 0 | 0 | 0 | 111.1 | K865 E925 L926 A931 N932 N933 W934 K935 L937 | K865-L929 HydrophobicContact CD-CD1 3.99Å; E925-L929 HydrophobicContact CG-CD1 4.35Å; E925-L929 WeakPolarHBondContact O-CG 3.21Å; E925-L929 PolarHBondContact O-N 3.3Å; L926-L929 HydrophobicContact CD2-CD1 4.34Å; L926-L929 PolarHBondContact O-N 3.25Å; L929-A931 PolarHBondContact O-N 3.11Å; L929-N932 CarbonylContact O-C 3.57Å; L929-N932 VanDerWaalsContact O-C 3.31Å; L929-N932 WeakPolarHBondContact O-CA 3.36Å; L929-N932 PolarHBondContact O-N 2.99Å; L929-N933 PolarHBondContact O-N 3.3Å; L929-W934 HydrophobicContact CB-CE3 4.33Å; L929-W934 VanDerWaalsContact O-CA 3.28Å; L929-W934 WeakPolarHBondContact O-CA 3.4Å; L929-W934 PolarHBondContact O-N 2.81Å; L929-K935 WeakPolarHBondContact CD2-O 3.46Å; L929-L937 HydrophobicContact CD2-CG 4.43Å |
| 930 | K | 90.6 | Very high | 84.7 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 32% | 0.317 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 172.8 | -172.4 | 169.3 | -170.8 | 170.1 | 0 | 111.5 | Q848 D852 L926 H927 N932 N933 W934 | Q848-K930 VanDerWaalsContact NE2-NZ 3.15Å; D852-K930 WeakPolarHBondContact OD1-CE 3.4Å; D852-K930 IonicContact OD1-NZ 2.72Å; D852-K930 PolarHBondContact OD1-NZ 3.42Å; D852-K930 WeakPolarHBondContact OD2-CD 3.38Å; D852-K930 WeakPolarHBondContact OD2-CE 3.37Å; D852-K930 IonicContact OD2-NZ 2.66Å; D852-K930 PolarHBondContact OD2-NZ 3.27Å; L926-K930 PolarHBondContact O-N 2.83Å; H927-K930 PolarHBondContact O-N 3.22Å; K930-N932 PolarHBondContact O-N 2.76Å; K930-N933 WeakPolarHBondContact O-CA 3.38Å; K930-N933 PolarHBondContact O-N 3.44Å; K930-W934 HydrophobicContact CB-CD2 4.37Å; K930-W934 HydrophobicContact CB-CE3 4.16Å; K930-W934 HydrophobicContact CB-CH2 3.57Å; K930-W934 HydrophobicContact CB-CZ2 3.76Å; K930-W934 HydrophobicContact CB-CZ3 3.77Å; K930-W934 HydrophobicContact CD-CH2 3.83Å; K930-W934 HydrophobicContact CD-CZ2 3.69Å; K930-W934 HydrophobicContact CG-CH2 3.76Å; K930-W934 HydrophobicContact CG-CZ2 3.47Å; K930-W934 VanDerWaalsContact CG-CZ2 3.47Å; K930-W934 HydrophobicContact CG-CZ3 4.42Å |
| 931 | A | 91.4 | Very high | 82 | Confident | 82 Ų | 82 | 77.6 Ų | 77.6 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.7 | -30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | H927 Q928 L929 N933 | H927-A931 WeakPolarHBondContact O-CB 3.46Å; H927-A931 PolarHBondContact O-N 2.68Å; Q928-A931 PolarHBondContact O-N 3.32Å; L929-A931 PolarHBondContact O-N 3.11Å; A931-N933 PolarHBondContact O-N 3.02Å |
| 932 | N | 91.2 | Very high | 79.7 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 18.9 | 172.7 | -162.4 | 41.9 | 0 | 0 | 0 | 113.7 | Q928 L929 K930 W934 K935 L937 | Q928-N932 WeakPolarHBondContact O-CB 3.39Å; Q928-N932 PolarHBondContact O-N 2.81Å; L929-N932 CarbonylContact O-C 3.57Å; L929-N932 VanDerWaalsContact O-C 3.31Å; L929-N932 WeakPolarHBondContact O-CA 3.36Å; L929-N932 PolarHBondContact O-N 2.99Å; K930-N932 PolarHBondContact O-N 2.76Å; N932-W934 VanDerWaalsContact C-N 3.31Å; N932-W934 PolarHBondContact O-N 2.94Å; N932-K935 PolarHBondContact ND2-O 3.39Å; N932-K935 PolarHBondContact O-N 3.13Å; N932-L937 HydrophobicContact CB-CD2 4.01Å |
| 933 | N | 87.9 | Confident | 77 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 66% | 0.658 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 44.8 | -178.3 | -60.6 | -116.3 | 0 | 0 | 0 | 112 | L929 K930 A931 K935 | L929-N933 PolarHBondContact O-N 3.3Å; K930-N933 WeakPolarHBondContact O-CA 3.38Å; K930-N933 PolarHBondContact O-N 3.44Å; A931-N933 PolarHBondContact O-N 3.02Å; N933-K935 PolarHBondContact O-N 3.41Å |
| 934 | W | 88.6 | Confident | 74.6 | Confident | 24 Ų | 24 | 90.7 Ų | 90.7 | 9% | 0.091 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 7.6 | -179.8 | -53.8 | 115.5 | 0 | 0 | 0 | 116.6 | D852 N856 L858 V862 I866 L929 K930 N932 | D852-W934 HydrophobicContact CB-CH2 3.64Å; D852-W934 HydrophobicContact CB-CZ2 3.54Å; D852-W934 VanDerWaalsContact CG-CZ2 3.47Å; N856-W934 VanDerWaalsContact CG-NE1 3.28Å; N856-W934 PolarHBondContact OD1-NE1 3.21Å; L858-W934 HydrophobicContact CD2-CB 3.58Å; L858-W934 VanDerWaalsContact CD2-CD1 3.44Å; L858-W934 HydrophobicContact CD2-CD2 3.41Å; L858-W934 VanDerWaalsContact CD2-CD2 3.41Å; L858-W934 HydrophobicContact CD2-CE3 4.02Å; L858-W934 HydrophobicContact CD2-CG 3.19Å; V862-W934 HydrophobicContact CG1-CE3 3.8Å; V862-W934 HydrophobicContact CG1-CZ3 4.26Å; I866-W934 HydrophobicContact CD1-CZ3 4.43Å; L929-W934 HydrophobicContact CB-CE3 4.33Å; L929-W934 VanDerWaalsContact O-CA 3.28Å; L929-W934 WeakPolarHBondContact O-CA 3.4Å; L929-W934 PolarHBondContact O-N 2.81Å; K930-W934 HydrophobicContact CB-CD2 4.37Å; K930-W934 HydrophobicContact CB-CE3 4.16Å; K930-W934 HydrophobicContact CB-CH2 3.57Å; K930-W934 HydrophobicContact CB-CZ2 3.76Å; K930-W934 HydrophobicContact CB-CZ3 3.77Å; K930-W934 HydrophobicContact CD-CH2 3.83Å; K930-W934 HydrophobicContact CD-CZ2 3.69Å; K930-W934 HydrophobicContact CG-CH2 3.76Å; K930-W934 HydrophobicContact CG-CZ2 3.47Å; K930-W934 VanDerWaalsContact CG-CZ2 3.47Å; K930-W934 HydrophobicContact CG-CZ3 4.42Å; N932-W934 VanDerWaalsContact C-N 3.31Å; N932-W934 PolarHBondContact O-N 2.94Å |
| 935 | K | 79.1 | Confident | 72.1 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | trans | -74.1 | 135.1 | 172.1 | -69.7 | 162.1 | -173 | 170.3 | 0 | 108.2 | L929 N932 N933 L937 | L929-K935 WeakPolarHBondContact CD2-O 3.46Å; N932-K935 PolarHBondContact ND2-O 3.39Å; N932-K935 PolarHBondContact O-N 3.13Å; N933-K935 PolarHBondContact O-N 3.41Å; K935-L937 PolarHBondContact O-N 3.19Å | ||
| 936 | P | 73 | Confident | 69.7 | Low | 55 Ų | 55 | 105.8 Ų | 105.8 | 36% | 0.357 | 53% | 0.528 | S | S | . | . | trans | -45.7 | 131.4 | 165.6 | -28.1 | 35.2 | 0 | 0 | 0 | 109.2 | T938 | P936-T938 VanDerWaalsContact C-N 3.28Å; P936-T938 PolarHBondContact O-N 2.98Å | ||
| 937 | L | 62.3 | Low | 67.4 | Low | 86 Ų | 86 | 114 Ų | 114 | 45% | 0.45 | 57% | 0.568 | S | S | . | * | trans | -60.7 | 100 | 168.7 | -75.1 | 172.8 | 0 | 0 | 0 | 106.3 | Q928 L929 N932 K935 P939 | Q928-L937 HydrophobicContact CB-CD1 4.14Å; L929-L937 HydrophobicContact CD2-CG 4.43Å; N932-L937 HydrophobicContact CB-CD2 4.01Å; K935-L937 PolarHBondContact O-N 3.19Å; L937-P939 WeakPolarHBondContact O-CD 3.43Å | ||
| 938 | T | 52.3 | Low | 64.9 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 74% | 0.736 | 59% | 0.59 | S | S | * | * | trans | -52.8 | 114 | 162.3 | 43.3 | 0 | 0 | 0 | 0 | 105.1 | P936 P940 | P936-T938 VanDerWaalsContact C-N 3.28Å; P936-T938 PolarHBondContact O-N 2.98Å; T938-P940 VanDerWaalsContact O-N 3.08Å | ||
| 939 | P | 55.9 | Low | 63.1 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -53.7 | 125 | -173.4 | 21.5 | -32.8 | 0 | 0 | 0 | 106.5 | L937 E941 | L937-P939 WeakPolarHBondContact O-CD 3.43Å; P939-E941 WeakPolarHBondContact O-CA 3.39Å; P939-E941 PolarHBondContact O-N 3.36Å | ||
| 940 | P | 49.8 | Very low | 61.2 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -53.5 | 113.5 | -166 | 21 | -33.3 | 0 | 0 | 0 | 106.9 | T938 I942 | T938-P940 VanDerWaalsContact O-N 3.08Å; P940-I942 PolarHBondContact O-N 3.23Å | ||
| 941 | E | 41 | Very low | 59 | Low | 151 Ų | 151 | 124.8 Ų | 124.8 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -48.9 | 110.5 | -158 | -177.8 | -170.9 | -136.5 | 0 | 0 | 107.5 | P939 Q943 | P939-E941 WeakPolarHBondContact O-CA 3.39Å; P939-E941 PolarHBondContact O-N 3.36Å; E941-Q943 HydrophobicContact CG-CG 4.27Å; E941-Q943 PolarHBondContact O-N 2.93Å; E941-Q943 WeakPolarHBondContact OE2-CG 3.2Å; E941-Q943 PolarHBondContact OE2-NE2 3.43Å; E941-Q943 VanDerWaalsContact OE2-NE2 3.07Å | ||
| 942 | I | 47.9 | Very low | 57.2 | Low | 151 Ų | 151 | 126.5 Ų | 126.5 | 77% | 0.774 | 66% | 0.663 | S | S | * | * | trans | -72.5 | 84.1 | 172 | -60.4 | -179.3 | 0 | 0 | 0 | 103.6 | P940 E944 | P940-I942 PolarHBondContact O-N 3.23Å; I942-E944 PolarHBondContact O-N 2.91Å | ||
| 943 | Q | 40.6 | Very low | 55.1 | Low | 149 Ų | 149 | 133.7 Ų | 133.7 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | trans | -54 | 83.2 | 143.8 | -63.4 | -174.6 | 12.4 | 0 | 0 | 105 | E941 R945 | E941-Q943 HydrophobicContact CG-CG 4.27Å; E941-Q943 PolarHBondContact O-N 2.93Å; E941-Q943 WeakPolarHBondContact OE2-CG 3.2Å; E941-Q943 PolarHBondContact OE2-NE2 3.43Å; E941-Q943 VanDerWaalsContact OE2-NE2 3.07Å; Q943-R945 PolarHBondContact O-N 3.31Å | ||
| 944 | E | 46.5 | Very low | 52.6 | Low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | trans | -29.8 | 117.4 | 132.3 | -80.5 | -157.8 | 121.2 | 0 | 0 | 105.4 | I942 R946 | I942-E944 PolarHBondContact O-N 2.91Å; E944-R946 PolarHBondContact O-N 3.46Å | ||
| 945 | R | 44.6 | Very low | 50.4 | Low | 241 Ų | 241 | 141.8 Ų | 141.8 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | trans | -64.7 | 82 | 164.7 | -79.4 | -177.4 | 165.5 | -167.1 | -2.8 | 106.1 | Q943 M947 | Q943-R945 PolarHBondContact O-N 3.31Å; R945-M947 PolarHBondContact O-N 2.85Å | ||
| 946 | R | 45.1 | Very low | 48.3 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -46.5 | 110.4 | 162.9 | -84 | -167 | 173.1 | -163.5 | 2 | 104.4 | E944 | E944-R946 PolarHBondContact O-N 3.46Š| ||
| 947 | M | 46.2 | Very low | 46.9 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 130.7 | 177 | -69.6 | -171.5 | 173.6 | 0 | 0 | 106.7 | R945 | R945-M947 PolarHBondContact O-N 2.85Š|
| 948 | P | 44.1 | Very low | 45.5 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 128.8 | -173.8 | -29.8 | 35.1 | 0 | 0 | 0 | 110.1 | ||
| 949 | P | 54.9 | Low | 44.6 | Very low | 110 Ų | 110 | 154 Ų | 154 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.3 | -176.8 | 22.9 | -32.9 | 0 | 0 | 0 | 108.6 | V951 | P949-V951 PolarHBondContact O-N 3.28Å; P949-V951 VanDerWaalsContact O-N 3.09Å |
| 950 | P | 53.2 | Low | 43.9 | Very low | 124 Ų | 124 | 154.3 Ų | 154.3 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120 | -173.4 | 22.4 | -32.7 | 0 | 0 | 0 | 109.9 | ||
| 951 | V | 43.9 | Very low | 43.6 | Very low | 125 Ų | 125 | 154.8 Ų | 154.8 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 125.6 | -169.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | P949 K953 | P949-V951 PolarHBondContact O-N 3.28Å; P949-V951 VanDerWaalsContact O-N 3.09Å; V951-K953 PolarHBondContact O-N 2.96Å |
| 952 | P | 52.8 | Low | 43.6 | Very low | 119 Ų | 119 | 156.2 Ų | 156.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -58 | 112.3 | 177.6 | -26 | 34.9 | 0 | 0 | 0 | 111.4 | K954 | P952-K954 PolarHBondContact O-N 3.17Š| ||
| 953 | K | 46.8 | Very low | 43.7 | Very low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.6 | 172.4 | -70.8 | -175.4 | 178.4 | 178.9 | 0 | 108.8 | V951 | V951-K953 PolarHBondContact O-N 2.96Š|
| 954 | K | 37 | Very low | 44 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.4 | 177.3 | -71.4 | -178 | 177.8 | 179.4 | 0 | 110.8 | P952 | P952-K954 PolarHBondContact O-N 3.17Š|
| 955 | P | 40.9 | Very low | 44 | Very low | 121 Ų | 121 | 159 Ų | 159 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 139.4 | -170.1 | 29.5 | -35.9 | 0 | 0 | 0 | 112.6 | ||
| 956 | L | 35.3 | Very low | 44.4 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | trans | -106.2 | 150 | 147.1 | -119.1 | 72.5 | 0 | 0 | 0 | 108.5 | ||||
| 957 | K | 43.3 | Very low | 44.9 | Very low | 212 Ų | 212 | 152.2 Ų | 152.2 | 92% | 0.922 | 83% | 0.826 | S | S | * | * | trans | -118.7 | 118.6 | -156 | -171 | 176.8 | -178 | 179.5 | 0 | 110.9 | ||||
| 958 | G | 32.5 | Very low | 45 | Very low | 73 Ų | 73 | 151 Ų | 151 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -173.6 | 135 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 959 | H | 33.8 | Very low | 45.4 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -86 | 178.6 | 171.8 | -70.2 | -111.9 | 0 | 0 | 0 | 110.7 | ||||
| 960 | P | 41.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -121 | -170.4 | -30.5 | 25.3 | -2.1 | 0 | 0 | 0 | 110.3 | ||||
| 961 | P | 43.3 | Very low | 46 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -89.8 | 147.8 | -164.3 | 34.7 | -34.7 | 0 | 0 | 0 | 116 | ||||
| 962 | L | 41 | Very low | 47.4 | Very low | 181 Ų | 181 | 145 Ų | 145 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | trans | -131.3 | 139.2 | 152.5 | -74.7 | 177.4 | 0 | 0 | 0 | 109.2 | ||||
| 963 | A | 50.3 | Low | 48.4 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -81.2 | 138.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 964 | R | 46.7 | Very low | 50.1 | Low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | trans | -145.2 | 25.5 | 167.2 | -147.2 | 179.5 | 175.4 | 139.4 | 1.5 | 116.1 | R966 | R964-R966 PolarHBondContact O-N 3.49Š| ||
| 965 | D | 45.9 | Very low | 52.1 | Low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -83.7 | 104.8 | 162.4 | -90.8 | -55.6 | 0 | 0 | 0 | 110.5 | ||||
| 966 | R | 53.4 | Low | 54.2 | Low | 224 Ų | 224 | 142.7 Ų | 142.7 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -162.4 | -3.8 | 171.4 | -118.6 | 174.5 | -169.2 | -172.2 | 3.2 | 116.3 | R964 S970 | R964-R966 PolarHBondContact O-N 3.49Å; R966-S970 PolarHBondContact O-OG 3.49Å | ||
| 967 | S | 55.4 | Low | 56.5 | Low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -97.7 | -22.8 | -169.2 | -163.2 | 0 | 0 | 0 | 0 | 115.9 | S970 | S967-S970 PolarHBondContact O-OG 2.9Å; S967-S970 VanDerWaalsContact O-OG 3.07Å |
| 968 | L | 49.6 | Very low | 58.5 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -91.4 | -43.2 | -179.6 | -67.6 | 174.5 | 0 | 0 | 0 | 111.5 | S970 S971 E972 | L968-S970 PolarHBondContact O-N 3.1Å; L968-S971 PolarHBondContact O-N 3.45Å; L968-E972 PolarHBondContact O-N 3.34Å |
| 969 | E | 51.1 | Low | 61 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 55% | 0.547 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -62.6 | -28.5 | 176.9 | -158 | -162.4 | 158.6 | 0 | 0 | 112.6 | E972 R973 | E969-E972 PolarHBondContact O-N 2.96Å; E969-R973 WeakPolarHBondContact O-CB 3.24Å; E969-R973 WeakPolarHBondContact O-CG 3.5Å; E969-R973 PolarHBondContact O-N 3.24Å; E969-R973 IonicContact OE1-CZ 2.76Å; E969-R973 IonicContact OE1-NE 2.78Å; E969-R973 PolarHBondContact OE1-NE 2.89Å; E969-R973 VanDerWaalsContact OE1-NE 3.07Å; E969-R973 IonicContact OE1-NH2 3.14Å; E969-R973 PolarHBondContact OE1-NH2 3.05Å |
| 970 | S | 56.9 | Low | 63.7 | Low | 62 Ų | 62 | 134.3 Ų | 134.3 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -66.3 | -40.1 | 175.9 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | R966 S967 L968 Q974 | R966-S970 PolarHBondContact O-OG 3.49Å; S967-S970 PolarHBondContact O-OG 2.9Å; S967-S970 VanDerWaalsContact O-OG 3.07Å; L968-S970 PolarHBondContact O-N 3.1Å; S970-Q974 WeakPolarHBondContact O-CB 3.45Å; S970-Q974 PolarHBondContact O-N 3.16Å |
| 971 | S | 64.1 | Low | 65.9 | Low | 74 Ų | 74 | 135.9 Ų | 135.9 | 52% | 0.517 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.5 | -42 | 175.3 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | L968 Q974 R975 | L968-S971 PolarHBondContact O-N 3.45Å; S971-Q974 PolarHBondContact O-N 2.86Å; S971-R975 WeakPolarHBondContact O-CB 3.32Å; S971-R975 PolarHBondContact O-N 3.44Å |
| 972 | E | 73.1 | Confident | 68 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 44% | 0.444 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.5 | -44.6 | 176.9 | -165.5 | 62 | -86.3 | 0 | 0 | 111.7 | L968 E969 Q974 R975 L976 | L968-E972 PolarHBondContact O-N 3.34Å; E969-E972 PolarHBondContact O-N 2.96Å; E972-Q974 PolarHBondContact O-N 3.41Å; E972-R975 VanDerWaalsContact CD-NH2 3.3Å; E972-R975 PolarHBondContact O-N 2.95Å; E972-R975 IonicContact OE1-CZ 2.68Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 3.19Å; E972-R975 IonicContact OE1-NH2 3.42Å; E972-R975 PolarHBondContact OE1-NH2 2.69Å; E972-R975 IonicContact OE2-NH2 3.22Å; E972-R975 PolarHBondContact OE2-NH2 3.11Å; E972-R975 VanDerWaalsContact OE2-NH2 3.14Å; E972-L976 WeakPolarHBondContact O-CB 3.25Å; E972-L976 PolarHBondContact O-N 3.2Å |
| 973 | R | 75.3 | Confident | 70.2 | Confident | 165 Ų | 165 | 132.5 Ų | 132.5 | 62% | 0.623 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.1 | -43.1 | 172.6 | -77.8 | -174 | -175.6 | -159.7 | 1.4 | 112.5 | E969 R975 L976 E977 | E969-R973 WeakPolarHBondContact O-CB 3.24Å; E969-R973 WeakPolarHBondContact O-CG 3.5Å; E969-R973 PolarHBondContact O-N 3.24Å; E969-R973 IonicContact OE1-CZ 2.76Å; E969-R973 IonicContact OE1-NE 2.78Å; E969-R973 PolarHBondContact OE1-NE 2.89Å; E969-R973 VanDerWaalsContact OE1-NE 3.07Å; E969-R973 IonicContact OE1-NH2 3.14Å; E969-R973 PolarHBondContact OE1-NH2 3.05Å; R973-R975 VanDerWaalsContact C-N 3.33Å; R973-R975 PolarHBondContact O-N 2.96Å; R973-L976 PolarHBondContact O-N 2.8Å; R973-E977 VanDerWaalsContact O-CB 3.28Å; R973-E977 WeakPolarHBondContact O-CB 3.47Å; R973-E977 PolarHBondContact O-N 2.8Å |
| 974 | Q | 80.9 | Confident | 71.7 | Confident | 139 Ų | 139 | 130.3 Ų | 130.3 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.8 | -39.6 | 178.7 | -169.5 | 176.1 | 11.5 | 0 | 0 | 111.5 | S970 S971 E972 E977 A978 | S970-Q974 WeakPolarHBondContact O-CB 3.45Å; S970-Q974 PolarHBondContact O-N 3.16Å; S971-Q974 PolarHBondContact O-N 2.86Å; E972-Q974 PolarHBondContact O-N 3.41Å; Q974-E977 PolarHBondContact O-N 3.26Å; Q974-A978 WeakPolarHBondContact O-CB 3.22Å; Q974-A978 PolarHBondContact O-N 2.86Å |
| 975 | R | 80.4 | Confident | 73.4 | Confident | 170 Ų | 170 | 121.3 Ų | 121.3 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -44.5 | 173.9 | -169.8 | 174.4 | 74.6 | 132.2 | -7.5 | 112 | S971 E972 R973 R979 | S971-R975 WeakPolarHBondContact O-CB 3.32Å; S971-R975 PolarHBondContact O-N 3.44Å; E972-R975 VanDerWaalsContact CD-NH2 3.3Å; E972-R975 PolarHBondContact O-N 2.95Å; E972-R975 IonicContact OE1-CZ 2.68Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 3.19Å; E972-R975 IonicContact OE1-NH2 3.42Å; E972-R975 PolarHBondContact OE1-NH2 2.69Å; E972-R975 IonicContact OE2-NH2 3.22Å; E972-R975 PolarHBondContact OE2-NH2 3.11Å; E972-R975 VanDerWaalsContact OE2-NH2 3.14Å; R973-R975 VanDerWaalsContact C-N 3.33Å; R973-R975 PolarHBondContact O-N 2.96Å; R975-R979 PolarHBondContact O-N 3.13Å; R975-R979 VanDerWaalsContact O-N 3.1Å |
| 976 | L | 83.6 | Confident | 75.2 | Confident | 120 Ų | 120 | 121.3 Ų | 121.3 | 63% | 0.628 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -40.4 | 177.6 | -164 | 73.2 | 0 | 0 | 0 | 112.1 | E972 R973 R979 K980 | E972-L976 WeakPolarHBondContact O-CB 3.25Å; E972-L976 PolarHBondContact O-N 3.2Å; R973-L976 PolarHBondContact O-N 2.8Å; L976-R979 PolarHBondContact O-N 2.9Å; L976-K980 PolarHBondContact O-N 3.47Å |
| 977 | E | 83.9 | Confident | 76.3 | Confident | 90 Ų | 90 | 119.9 Ų | 119.9 | 42% | 0.421 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.7 | -39.4 | 177.9 | -162 | -168.1 | -157.7 | 0 | 0 | 111.7 | R973 Q974 R979 K980 R981 | R973-E977 VanDerWaalsContact O-CB 3.28Å; R973-E977 WeakPolarHBondContact O-CB 3.47Å; R973-E977 PolarHBondContact O-N 2.8Å; Q974-E977 PolarHBondContact O-N 3.26Å; E977-R979 VanDerWaalsContact C-N 3.35Å; E977-R979 PolarHBondContact O-N 3.43Å; E977-K980 WeakPolarHBondContact O-CB 3.04Å; E977-K980 PolarHBondContact O-N 3.18Å; E977-R981 WeakPolarHBondContact O-CG 3.27Å; E977-R981 PolarHBondContact O-N 3.35Å; E977-R981 IonicContact OE1-CZ 3.15Å; E977-R981 IonicContact OE1-NH1 3.36Å; E977-R981 IonicContact OE1-NH2 2.7Å; E977-R981 PolarHBondContact OE1-NH2 3.11Å; E977-R981 IonicContact OE2-CZ 2.76Å; E977-R981 IonicContact OE2-NH1 3.6Å; E977-R981 PolarHBondContact OE2-NH1 2.87Å; E977-R981 IonicContact OE2-NH2 3.54Å; E977-R981 PolarHBondContact OE2-NH2 3.39Å |
| 978 | A | 84.9 | Confident | 77.1 | Confident | 54 Ų | 54 | 117.8 Ų | 117.8 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -44.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q974 K980 R981 L982 | Q974-A978 WeakPolarHBondContact O-CB 3.22Å; Q974-A978 PolarHBondContact O-N 2.86Å; A978-K980 VanDerWaalsContact C-N 3.33Å; A978-K980 PolarHBondContact O-N 2.68Å; A978-R981 PolarHBondContact O-N 3.36Å; A978-L982 WeakPolarHBondContact O-CB 3.11Å; A978-L982 PolarHBondContact O-N 3.26Å |
| 979 | R | 86.7 | Confident | 77.9 | Confident | 178 Ų | 178 | 113.5 Ų | 113.5 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.2 | -38.5 | 174.8 | -163.6 | 176.4 | -174.7 | -174.7 | 1.1 | 112 | R975 L976 E977 L983 | R975-R979 PolarHBondContact O-N 3.13Å; R975-R979 VanDerWaalsContact O-N 3.1Å; L976-R979 PolarHBondContact O-N 2.9Å; E977-R979 VanDerWaalsContact C-N 3.35Å; E977-R979 PolarHBondContact O-N 3.43Å; R979-L983 PolarHBondContact O-N 2.83Å; R979-L983 VanDerWaalsContact O-N 3.13Å |
| 980 | K | 89.4 | Confident | 78.7 | Confident | 159 Ų | 159 | 111 Ų | 111 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -44.4 | 174.1 | -173.2 | -179.6 | 178.6 | -177.3 | 0 | 112.3 | L976 E977 A978 L983 A984 | L976-K980 PolarHBondContact O-N 3.47Å; E977-K980 WeakPolarHBondContact O-CB 3.04Å; E977-K980 PolarHBondContact O-N 3.18Å; A978-K980 VanDerWaalsContact C-N 3.33Å; A978-K980 PolarHBondContact O-N 2.68Å; K980-L983 PolarHBondContact O-N 3.22Å; K980-A984 PolarHBondContact O-N 3.03Å |
| 981 | R | 88.5 | Confident | 78.9 | Confident | 148 Ų | 148 | 112.7 Ų | 112.7 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -42.8 | 175.3 | -75.9 | -170.3 | 179.6 | 96 | 12 | 111.5 | E977 A978 L983 A984 A985 | E977-R981 WeakPolarHBondContact O-CG 3.27Å; E977-R981 PolarHBondContact O-N 3.35Å; E977-R981 IonicContact OE1-CZ 3.15Å; E977-R981 IonicContact OE1-NH1 3.36Å; E977-R981 IonicContact OE1-NH2 2.7Å; E977-R981 PolarHBondContact OE1-NH2 3.11Å; E977-R981 IonicContact OE2-CZ 2.76Å; E977-R981 IonicContact OE2-NH1 3.6Å; E977-R981 PolarHBondContact OE2-NH1 2.87Å; E977-R981 IonicContact OE2-NH2 3.54Å; E977-R981 PolarHBondContact OE2-NH2 3.39Å; A978-R981 PolarHBondContact O-N 3.36Å; R981-L983 PolarHBondContact O-N 3.41Å; R981-A984 PolarHBondContact O-N 2.67Å; R981-A985 WeakPolarHBondContact O-CB 3.45Å; R981-A985 PolarHBondContact O-N 3.3Å |
| 982 | L | 86.9 | Confident | 78.7 | Confident | 127 Ų | 127 | 118.7 Ų | 118.7 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.4 | -42.4 | 176.6 | -176.8 | 62.3 | 0 | 0 | 0 | 112.3 | A978 A985 K986 | A978-L982 WeakPolarHBondContact O-CB 3.11Å; A978-L982 PolarHBondContact O-N 3.26Å; L982-A985 PolarHBondContact O-N 3.15Å; L982-K986 WeakPolarHBondContact O-CB 3.37Å; L982-K986 PolarHBondContact O-N 3.15Å |
| 983 | L | 86.3 | Confident | 77.9 | Confident | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | 174.8 | -85.6 | 160.2 | 0 | 0 | 0 | 112.8 | R979 K980 R981 R987 | R979-L983 PolarHBondContact O-N 2.83Å; R979-L983 VanDerWaalsContact O-N 3.13Å; K980-L983 PolarHBondContact O-N 3.22Å; R981-L983 PolarHBondContact O-N 3.41Å; L983-R987 PolarHBondContact O-N 3.24Å; L983-R987 VanDerWaalsContact O-N 3.17Å |
| 984 | A | 83.1 | Confident | 76.8 | Confident | 58 Ų | 58 | 117.1 Ų | 117.1 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.5 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K980 R981 K986 R987 A988 | K980-A984 PolarHBondContact O-N 3.03Å; R981-A984 PolarHBondContact O-N 2.67Å; A984-K986 VanDerWaalsContact C-N 3.33Å; A984-K986 PolarHBondContact O-N 3.23Å; A984-R987 PolarHBondContact O-N 3.22Å; A984-A988 PolarHBondContact O-N 2.93Å |
| 985 | A | 81.2 | Confident | 75.5 | Confident | 58 Ų | 58 | 113.9 Ų | 113.9 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.5 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R981 L982 R987 A988 A989 | R981-A985 WeakPolarHBondContact O-CB 3.45Å; R981-A985 PolarHBondContact O-N 3.3Å; L982-A985 PolarHBondContact O-N 3.15Å; A985-R987 VanDerWaalsContact C-N 3.34Å; A985-R987 PolarHBondContact O-N 3.4Å; A985-A988 PolarHBondContact O-N 3.05Å; A985-A989 WeakPolarHBondContact O-CB 3.31Å; A985-A989 PolarHBondContact O-N 2.78Å |
| 986 | K | 84.5 | Confident | 74.2 | Confident | 160 Ų | 160 | 109 Ų | 109 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.8 | -37.6 | 175.4 | -171.1 | 171.7 | -178.7 | 176.6 | 0 | 112.5 | L982 A984 S990 | L982-K986 WeakPolarHBondContact O-CB 3.37Å; L982-K986 PolarHBondContact O-N 3.15Å; A984-K986 VanDerWaalsContact C-N 3.33Å; A984-K986 PolarHBondContact O-N 3.23Å; K986-S990 WeakPolarHBondContact O-CB 3.15Å; K986-S990 PolarHBondContact O-N 2.98Å |
| 987 | R | 77.2 | Confident | 72.7 | Confident | 194 Ų | 194 | 108.7 Ų | 108.7 | 73% | 0.732 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.6 | -46.6 | 171.6 | -75.5 | -176 | 179 | 149.5 | 0 | 112 | L983 A984 A985 A989 S990 V991 | L983-R987 PolarHBondContact O-N 3.24Å; L983-R987 VanDerWaalsContact O-N 3.17Å; A984-R987 PolarHBondContact O-N 3.22Å; A985-R987 VanDerWaalsContact C-N 3.34Å; A985-R987 PolarHBondContact O-N 3.4Å; R987-A989 VanDerWaalsContact C-N 3.33Å; R987-A989 PolarHBondContact O-N 3.35Å; R987-S990 WeakPolarHBondContact O-CB 3.48Å; R987-S990 PolarHBondContact O-N 3.27Å; R987-S990 VanDerWaalsContact O-N 3.16Å; R987-V991 WeakPolarHBondContact O-CG2 3.23Å; R987-V991 PolarHBondContact O-N 3.42Å |
| 988 | A | 70.8 | Confident | 71.1 | Confident | 54 Ų | 54 | 112.5 Ų | 112.5 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A984 A985 R992 | A984-A988 PolarHBondContact O-N 2.93Å; A985-A988 PolarHBondContact O-N 3.05Å; A988-R992 WeakPolarHBondContact O-CG 3.43Å; A988-R992 PolarHBondContact O-N 2.94Å |
| 989 | A | 67.4 | Low | 69.5 | Low | 57 Ų | 57 | 114.8 Ų | 114.8 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.3 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | A985 R987 R992 Q993 | A985-A989 WeakPolarHBondContact O-CB 3.31Å; A985-A989 PolarHBondContact O-N 2.78Å; R987-A989 VanDerWaalsContact C-N 3.33Å; R987-A989 PolarHBondContact O-N 3.35Å; A989-R992 PolarHBondContact O-N 3.16Å; A989-Q993 PolarHBondContact O-N 2.91Å |
| 990 | S | 67.2 | Low | 67.9 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.2 | -43.8 | 175.6 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | K986 R987 R992 Q993 S994 | K986-S990 WeakPolarHBondContact O-CB 3.15Å; K986-S990 PolarHBondContact O-N 2.98Å; R987-S990 WeakPolarHBondContact O-CB 3.48Å; R987-S990 PolarHBondContact O-N 3.27Å; R987-S990 VanDerWaalsContact O-N 3.16Å; S990-R992 VanDerWaalsContact C-N 3.3Å; S990-R992 PolarHBondContact O-N 3.16Å; S990-Q993 PolarHBondContact O-N 2.76Å; S990-Q993 VanDerWaalsContact O-N 3.11Å; S990-S994 PolarHBondContact O-N 3.28Å; S990-S994 PolarHBondContact O-OG 3.46Å |
| 991 | V | 61 | Low | 66.1 | Low | 96 Ų | 96 | 110.2 Ų | 110.2 | 58% | 0.582 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R987 Q993 S994 S995 | R987-V991 WeakPolarHBondContact O-CG2 3.23Å; R987-V991 PolarHBondContact O-N 3.42Å; V991-Q993 VanDerWaalsContact C-N 3.26Å; V991-Q993 PolarHBondContact O-N 2.93Å; V991-S994 PolarHBondContact O-N 3.32Å; V991-S994 VanDerWaalsContact O-N 3.16Å; V991-S995 PolarHBondContact O-N 2.75Å; V991-S995 PolarHBondContact O-OG 3.24Å |
| 992 | R | 59.9 | Low | 64.3 | Low | 200 Ų | 200 | 108 Ų | 108 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -20.7 | 176 | -71.2 | -179.7 | -179.8 | -153.9 | -1.4 | 114.4 | A988 A989 S990 S995 | A988-R992 WeakPolarHBondContact O-CG 3.43Å; A988-R992 PolarHBondContact O-N 2.94Å; A989-R992 PolarHBondContact O-N 3.16Å; S990-R992 VanDerWaalsContact C-N 3.3Å; S990-R992 PolarHBondContact O-N 3.16Å; R992-S995 PolarHBondContact O-OG 2.76Å |
| 993 | Q | 57 | Low | 62.6 | Low | 151 Ų | 151 | 108.8 Ų | 108.8 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -81.8 | -38.3 | 168.6 | -72 | -171.3 | -49.1 | 0 | 0 | 111.5 | A989 S990 V991 A996 | A989-Q993 PolarHBondContact O-N 2.91Å; S990-Q993 PolarHBondContact O-N 2.76Å; S990-Q993 VanDerWaalsContact O-N 3.11Å; V991-Q993 VanDerWaalsContact C-N 3.26Å; V991-Q993 PolarHBondContact O-N 2.93Å; Q993-A996 PolarHBondContact O-N 3.2Å |
| 994 | S | 51.7 | Low | 60.9 | Low | 76 Ų | 76 | 113.2 Ų | 113.2 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -63.2 | -40.1 | 175.6 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | S990 V991 A996 T997 | S990-S994 PolarHBondContact O-N 3.28Å; S990-S994 PolarHBondContact O-OG 3.46Å; V991-S994 PolarHBondContact O-N 3.32Å; V991-S994 VanDerWaalsContact O-N 3.16Å; S994-A996 PolarHBondContact O-N 3.45Å; S994-T997 PolarHBondContact O-OG1 2.76Å |
| 995 | S | 53.9 | Low | 59.3 | Low | 71 Ų | 71 | 117.3 Ų | 117.3 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5.7 | 178.5 | 64.8 | 0 | 0 | 0 | 0 | 114.3 | V991 R992 | V991-S995 PolarHBondContact O-N 2.75Å; V991-S995 PolarHBondContact O-OG 3.24Å; R992-S995 PolarHBondContact O-OG 2.76Å |
| 996 | A | 52.7 | Low | 57.3 | Low | 69 Ų | 69 | 124.2 Ų | 124.2 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -2.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q993 S994 | Q993-A996 PolarHBondContact O-N 3.2Å; S994-A996 PolarHBondContact O-N 3.45Å |
| 997 | T | 52.5 | Low | 55.6 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -114.9 | -1.8 | -178.6 | 52 | 0 | 0 | 0 | 0 | 114.1 | S994 | S994-T997 PolarHBondContact O-OG1 2.76Š|
| 998 | E | 50.9 | Low | 54.2 | Low | 170 Ų | 170 | 118.6 Ų | 118.6 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -92.7 | -19.4 | -176.6 | -164.2 | 170.4 | 172.7 | 0 | 0 | 112.8 | ||
| 999 | S | 51.6 | Low | 53.1 | Low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 27.2 | -176 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1000 | A | 52.6 | Low | 52.1 | Low | 71 Ų | 71 | 127.2 Ų | 127.2 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -12.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1002 | A1000-S1002 VanDerWaalsContact C-N 3.26Å; A1000-S1002 PolarHBondContact O-N 3.38Å |
| 1001 | D | 51.5 | Low | 50.9 | Low | 170 Ų | 170 | 132.7 Ų | 132.7 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -90.2 | 27.3 | -167.3 | -139.5 | 20.4 | 0 | 0 | 0 | 113.4 | ||
| 1002 | S | 49.6 | Very low | 50.3 | Low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | -143.3 | 67.5 | -175.9 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | A1000 | A1000-S1002 VanDerWaalsContact C-N 3.26Å; A1000-S1002 PolarHBondContact O-N 3.38Å | ||
| 1003 | I | 51.2 | Low | 49.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | trans | -129.7 | 102.7 | 167.6 | -57.4 | -180 | 0 | 0 | 0 | 108.2 | I1005 | I1003-I1005 PolarHBondContact O-N 3.45Š| ||
| 1004 | E | 51.5 | Low | 49 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 122.3 | 170.4 | -64.7 | -176.7 | 144.2 | 0 | 0 | 109.5 | Y1006 | E1004-Y1006 PolarHBondContact O-N 3.31Š| ||
| 1005 | I | 49.5 | Very low | 48.9 | Very low | 145 Ų | 145 | 143 Ų | 143 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -90.4 | 100.9 | -178.9 | -58.4 | 178.7 | 0 | 0 | 0 | 109.1 | I1003 I1007 | I1003-I1005 PolarHBondContact O-N 3.45Å; I1005-I1007 PolarHBondContact O-N 3.47Å | ||
| 1006 | Y | 39.3 | Very low | 48.6 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124.1 | 169.3 | -179.4 | -96.2 | 0 | 0 | 0 | 110.4 | E1004 P1008 | E1004-Y1006 PolarHBondContact O-N 3.31Å; Y1006-P1008 HydrophobicContact CD1-CG 4.39Å; Y1006-P1008 HydrophobicContact CE1-CG 4.35Å |
| 1007 | I | 49.1 | Very low | 48.4 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 116.7 | 177.4 | -57.6 | 175.4 | 0 | 0 | 0 | 108.5 | I1005 | I1005-I1007 PolarHBondContact O-N 3.47Š|
| 1008 | P | 47.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 153.4 Ų | 153.4 | 62% | 0.623 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.4 | 171.2 | -13.3 | 29.2 | 0 | 0 | 0 | 110.8 | Y1006 A1010 | Y1006-P1008 HydrophobicContact CD1-CG 4.39Å; Y1006-P1008 HydrophobicContact CE1-CG 4.35Å; P1008-A1010 PolarHBondContact O-N 3.31Å |
| 1009 | E | 47.9 | Very low | 47.9 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.9 | 171.1 | -67.3 | -175.6 | 120.6 | 0 | 0 | 110.9 | Q1011 | E1009-Q1011 PolarHBondContact O-N 3.38Š|
| 1010 | A | 45.6 | Very low | 47.7 | Very low | 102 Ų | 102 | 155.7 Ų | 155.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -79.8 | 109.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1008 | P1008-A1010 PolarHBondContact O-N 3.31Š| ||
| 1011 | Q | 43.2 | Very low | 47.4 | Very low | 181 Ų | 181 | 161.8 Ų | 161.8 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -66.8 | 137.8 | -176.2 | -70.4 | -176.3 | -32.9 | 0 | 0 | 113.2 | E1009 R1013 | E1009-Q1011 PolarHBondContact O-N 3.38Å; Q1011-R1013 PolarHBondContact O-N 2.75Å | ||
| 1012 | T | 48.3 | Very low | 47 | Very low | 140 Ų | 140 | 161.2 Ų | 161.2 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -75.2 | 104.6 | 172.5 | 37.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1013 | R | 49.3 | Very low | 46.8 | Very low | 227 Ų | 227 | 166 Ų | 166 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -146.4 | 139.2 | 154.1 | -63.9 | -167.8 | -179.8 | -161 | -2.5 | 108.5 | Q1011 | Q1011-R1013 PolarHBondContact O-N 2.75Š| ||
| 1014 | L | 39.8 | Very low | 46.4 | Very low | 230 Ų | 230 | 168.2 Ų | 168.2 | 100% | 1.204 | 85% | 0.845 | S | S | * | * | cis | -143.3 | 0 | 1.8 | -134.7 | 169 | 0 | 0 | 0 | 109 |
Retrieved 1,014 of 1,014 residues in 103.5 ms
(Link to these results)