| 1 | M | 40.3 | Very low | 40.8 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 100% | 1.163 | 83% | 0.834 | S | S | * | * | | | | 0 | 125.3 | 0 | -64.5 | -166.6 | 121.4 | 0 | 0 | 107.7 | | |
| 2 | P | 41.4 | Very low | 40.9 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 88% | 0.877 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.1 | -179.5 | -5.6 | 23.3 | 0 | 0 | 0 | 110.6 | | |
| 3 | A | 43.3 | Very low | 40.1 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 148.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 4 | E | 47.9 | Very low | 40 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 147.2 | -171 | -64.4 | 173.7 | 148.6 | 0 | 0 | 113.8 | I6 | E4-I6 PolarHBondContact O-N 3.14Š|
| 5 | K | 45.6 | Very low | 39.3 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.7 | 173.5 | -70.2 | -179.9 | 175.3 | -169.2 | 0 | 110 | T7 | K5-T7 PolarHBondContact O-N 3.22Š|
| 6 | I | 49.2 | Very low | 39.3 | Very low | 141 Ų | 141 | 159.3 Ų | 159.3 | 72% | 0.723 | 85% | 0.85 | S | S | * | * | | | trans | -89.3 | 106.8 | 165.8 | -60.7 | 172.1 | 0 | 0 | 0 | 107.8 | E4 H8 | E4-I6 PolarHBondContact O-N 3.14Å; I6-H8 WeakPolarHBondContact CG2-NE2 3.46Å |
| 7 | T | 37.7 | Very low | 38.9 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 67% | 0.669 | 85% | 0.848 | S | S | * | * | | | trans | -87.3 | 115.4 | 170.8 | -56.3 | 0 | 0 | 0 | 0 | 108.1 | K5 | K5-T7 PolarHBondContact O-N 3.22Š|
| 8 | H | 44.5 | Very low | 38.4 | Very low | 178 Ų | 178 | 162.6 Ų | 162.6 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | | | trans | -100.4 | 111.4 | 166.9 | -82.6 | -73 | 0 | 0 | 0 | 109.6 | I6 | I6-H8 WeakPolarHBondContact CG2-NE2 3.46Š|
| 9 | C | 32.6 | Very low | 38.1 | Very low | 116 Ų | 116 | 160.7 Ų | 160.7 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | | | trans | -106.1 | 144 | 168.3 | -69.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 10 | G | 33.8 | Very low | 37.9 | Very low | 68 Ų | 68 | 160.7 Ų | 160.7 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | | | trans | 116 | 99.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 11 | S | 32.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 162.2 Ų | 162.2 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | | | | 72.6 | 82.8 | 65.8 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 12 | D | 41.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | | | trans | -134.6 | 116.6 | 155.9 | -84.4 | -45.1 | 0 | 0 | 0 | 111 | | |
| 13 | R | 31 | Very low | 36.7 | Very low | 234 Ų | 234 | 152.4 Ų | 152.4 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -72.5 | 132.9 | 173.2 | -72.3 | 171.4 | 158.1 | 132.7 | -6.3 | 109.6 | | |
| 14 | K | 38.6 | Very low | 36.2 | Very low | 200 Ų | 200 | 156 Ų | 156 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | | | trans | -140.2 | 111 | 139.7 | -82.3 | -162.8 | 176.5 | 177.5 | 0 | 109.8 | E16 | K14-E16 PolarHBondContact O-N 2.98Š|
| 15 | N | 30.1 | Very low | 35.4 | Very low | 162 Ų | 162 | 155.1 Ų | 155.1 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | trans | -61.2 | 118.9 | 159.6 | -74.9 | -8.4 | 0 | 0 | 0 | 107.6 | | |
| 16 | E | 38.7 | Very low | 34.8 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -112.8 | 136 | 151.7 | -85.1 | 179.5 | 167.4 | 0 | 0 | 108.4 | K14 | K14-E16 PolarHBondContact O-N 2.98Š|
| 17 | E | 32.2 | Very low | 34.1 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -101.8 | 128.9 | -153.5 | -177.4 | 176.1 | 169.3 | 0 | 0 | 108.6 | | |
| 18 | Y | 30.2 | Very low | 34 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | | | trans | 29.3 | 110.4 | 146.5 | -68.2 | -98.6 | 0 | 0 | 0 | 118.7 | | |
| 19 | S | 33.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -145.6 | 108 | 136.1 | -87.7 | 0 | 0 | 0 | 0 | 111.5 | Q21 | S19-Q21 PolarHBondContact O-N 3.07Š|
| 20 | L | 33.3 | Very low | 33.5 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | | | trans | -34.8 | 112.8 | 164.2 | -65.8 | 146.3 | 0 | 0 | 0 | 113.4 | | |
| 21 | Q | 34.5 | Very low | 33.3 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | | | trans | -117.7 | 92.2 | 148.5 | -162.5 | 97.6 | 30.2 | 0 | 0 | 106.6 | S19 | S19-Q21 PolarHBondContact O-N 3.07Š|
| 22 | A | 33.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -59.7 | 135.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 23 | G | 26.4 | Very low | 33.1 | Very low | 68 Ų | 68 | 158.2 Ų | 158.2 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 137.9 | 64.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 24 | M | 33.4 | Very low | 33.2 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -175.1 | 82.5 | 154.9 | -98.8 | 163.8 | -163 | 0 | 0 | 102.6 | | |
| 25 | E | 30.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | | | | 46.6 | 139.2 | 98.3 | -64.8 | -166 | 173.7 | 0 | 0 | 111.9 | | |
| 26 | H | 33.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | 86.9 | 70.1 | -171.5 | -35.8 | -58.4 | 0 | 0 | 0 | 114.1 | | |
| 27 | T | 34.6 | Very low | 33.2 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | | | trans | -142.7 | 117.7 | 142.3 | -27.8 | 0 | 0 | 0 | 0 | 109.6 | A29 | T27-A29 PolarHBondContact O-N 3.26Š|
| 28 | D | 34 | Very low | 33.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -46.9 | 100.1 | 175 | -60 | -72 | 0 | 0 | 0 | 111 | I30 | D28-I30 HydrophobicContact CB-CG1 4.49Å; D28-I30 PolarHBondContact O-N 3.47Å |
| 29 | A | 34.1 | Very low | 33.7 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -73.8 | 83.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | T27 N31 | T27-A29 PolarHBondContact O-N 3.26Å; A29-N31 PolarHBondContact O-N 3.41Å |
| 30 | I | 33.8 | Very low | 33.9 | Very low | 138 Ų | 138 | 136 Ų | 136 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -60.7 | 124 | 168.1 | -67.2 | 166.6 | 0 | 0 | 0 | 108.7 | D28 | D28-I30 HydrophobicContact CB-CG1 4.49Å; D28-I30 PolarHBondContact O-N 3.47Å |
| 31 | N | 29.6 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | 56.9 | 94.6 | 158.7 | -73.5 | -39.6 | 0 | 0 | 0 | 117.6 | A29 | A29-N31 PolarHBondContact O-N 3.41Š|
| 32 | K | 32.3 | Very low | 34 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | -163.1 | 125.4 | 132.7 | -110.1 | 159.7 | -179.3 | 174.1 | 0 | 111.4 | | |
| 33 | D | 36.3 | Very low | 34.1 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 76.1 | 34.7 | 146.1 | -46.9 | -28.8 | 0 | 0 | 0 | 119.6 | S35 | D33-S35 PolarHBondContact O-N 3.04Š|
| 34 | S | 34.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -73.2 | 71.4 | 146.9 | 70.2 | 0 | 0 | 0 | 0 | 108.6 | T36 | S34-T36 PolarHBondContact O-N 3.5Å; S34-T36 PolarHBondContact O-OG1 3.25Å |
| 35 | S | 35.5 | Very low | 34.9 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | trans | -64.3 | 82 | 165.5 | -164.9 | 0 | 0 | 0 | 0 | 106.6 | D33 T37 | D33-S35 PolarHBondContact O-N 3.04Å; S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.01Å |
| 36 | T | 36.3 | Very low | 35.2 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | -63.2 | 94.3 | 169.8 | -19 | 0 | 0 | 0 | 0 | 105.4 | S34 V38 | S34-T36 PolarHBondContact O-N 3.5Å; S34-T36 PolarHBondContact O-OG1 3.25Å; T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 PolarHBondContact O-N 3.41Å |
| 37 | T | 35.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | trans | -66 | 96.1 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 105.5 | S35 T39 | S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.01Å; T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 3.35Å |
| 38 | V | 39 | Very low | 35.5 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 62% | 0.618 | 74% | 0.743 | S | S | * | * | | | trans | -71.4 | 96 | 169.2 | -176.5 | 0 | 0 | 0 | 0 | 105.3 | T36 F40 | T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 PolarHBondContact O-N 3.41Å; V38-F40 VanDerWaalsContact O-CD2 3.26Å; V38-F40 WeakPolarHBondContact O-CD2 3.28Å; V38-F40 PolarHBondContact O-N 2.95Å |
| 39 | T | 33.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 59% | 0.589 | 73% | 0.734 | S | S | * | * | | | trans | -63.3 | 102.6 | 171.7 | -53.7 | 0 | 0 | 0 | 0 | 107.6 | T37 H41 | T37-T39 VanDerWaalsContact C-N 3.28Å; T37-T39 PolarHBondContact O-N 3.35Å; T39-H41 PolarHBondContact O-N 2.95Å; T39-H41 VanDerWaalsContact O-N 3.14Å |
| 40 | F | 37.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | trans | -65.9 | 111.1 | 170.8 | -71.6 | -88.9 | 0 | 0 | 0 | 107.8 | V38 P42 | V38-F40 VanDerWaalsContact O-CD2 3.26Å; V38-F40 WeakPolarHBondContact O-CD2 3.28Å; V38-F40 PolarHBondContact O-N 2.95Å; F40-P42 WeakPolarHBondContact O-CD 3.14Å |
| 41 | H | 34 | Very low | 35.4 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | | | trans | -78.2 | 110.3 | 163.2 | -70.7 | -81.2 | 0 | 0 | 0 | 107.5 | T39 N43 | T39-H41 PolarHBondContact O-N 2.95Å; T39-H41 VanDerWaalsContact O-N 3.14Å; H41-N43 PolarHBondContact O-N 2.77Å |
| 42 | P | 36.2 | Very low | 35.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | | | trans | -70.6 | 89.2 | 166.3 | 30.7 | -32.3 | 0 | 0 | 0 | 106.7 | F40 T44 | F40-P42 WeakPolarHBondContact O-CD 3.14Å; P42-T44 PolarHBondContact O-N 3.3Å |
| 43 | N | 36.7 | Very low | 36.3 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | | | trans | -67.3 | 94.3 | 158.4 | -77.6 | -26.5 | 0 | 0 | 0 | 105.9 | H41 D45 | H41-N43 PolarHBondContact O-N 2.77Å; N43-D45 PolarHBondContact O-N 3.31Å |
| 44 | T | 35.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | -63 | 71.3 | 167.1 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | P42 | P42-T44 PolarHBondContact O-N 3.3Š|
| 45 | D | 39.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -124.1 | 76.9 | 157.1 | -131.1 | -18.6 | 0 | 0 | 0 | 106.5 | N43 N47 | N43-D45 PolarHBondContact O-N 3.31Å; D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 2.86Å |
| 46 | V | 36.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -68.4 | 87.1 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | P48 | V46-P48 WeakPolarHBondContact O-CD 3.5Š|
| 47 | N | 32.6 | Very low | 37.3 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | -105 | 92.9 | 161.9 | -149.6 | -26.1 | 0 | 0 | 0 | 107.5 | D45 G49 | D45-N47 VanDerWaalsContact C-N 3.25Å; D45-N47 PolarHBondContact O-N 2.86Å; N47-G49 PolarHBondContact O-N 2.94Å |
| 48 | P | 42 | Very low | 37.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 19.5 | -168.5 | 30.2 | -33.8 | 0 | 0 | 0 | 113.9 | V46 | V46-P48 WeakPolarHBondContact O-CD 3.5Š|
| 49 | G | 33.6 | Very low | 37.9 | Very low | 58 Ų | 58 | 131.7 Ų | 131.7 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -18.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | N47 | N47-G49 PolarHBondContact O-N 2.94Š|
| 50 | N | 34.7 | Very low | 38.3 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | | | trans | -126.3 | 34.8 | -167.9 | -82.3 | 46.8 | 0 | 0 | 0 | 113.3 | V52 | N50-V52 PolarHBondContact O-N 3.08Š|
| 51 | G | 33.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -70.6 | 63.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T53 | G51-T53 PolarHBondContact O-N 3.11Š|
| 52 | V | 38.8 | Very low | 39 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | trans | -81.6 | 86.2 | 152.8 | -166.1 | 0 | 0 | 0 | 0 | 103.5 | N50 D54 | N50-V52 PolarHBondContact O-N 3.08Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.42Å |
| 53 | T | 40.5 | Very low | 39.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | | | trans | -53.2 | 106.3 | 157.5 | 35 | 0 | 0 | 0 | 0 | 105.4 | G51 F55 | G51-T53 PolarHBondContact O-N 3.11Å; T53-F55 HydrophobicContact CG2-CE2 4.28Å; T53-F55 PolarHBondContact O-N 3.12Å; T53-F55 WeakPolarHBondContact OG1-CD2 3.2Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.18Å |
| 54 | D | 41 | Very low | 39.8 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | trans | -59.5 | 77.3 | 154.6 | -84.6 | -30.9 | 0 | 0 | 0 | 105.3 | V52 D56 | V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 3.42Å; D54-D56 PolarHBondContact O-N 2.99Å |
| 55 | F | 41.3 | Very low | 40 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | | | trans | -57.4 | 105.3 | 150.5 | -84.5 | -86.5 | 0 | 0 | 0 | 102.5 | T53 N57 | T53-F55 HydrophobicContact CG2-CE2 4.28Å; T53-F55 PolarHBondContact O-N 3.12Å; T53-F55 WeakPolarHBondContact OG1-CD2 3.2Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.18Å; F55-N57 PolarHBondContact O-N 2.99Å |
| 56 | D | 41.5 | Very low | 39.8 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | | | trans | -51.9 | 66.3 | 153.7 | -87.9 | -45.1 | 0 | 0 | 0 | 107.5 | D54 R58 | D54-D56 PolarHBondContact O-N 2.99Å; D56-R58 PolarHBondContact O-N 3.01Å |
| 57 | N | 40.4 | Very low | 40.1 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | | | trans | -73 | 68.3 | 160.3 | -155.9 | 25.4 | 0 | 0 | 0 | 102.9 | F55 V59 | F55-N57 PolarHBondContact O-N 2.99Å; N57-V59 PolarHBondContact O-N 3.44Å |
| 58 | R | 40.5 | Very low | 40.5 | Very low | 216 Ų | 216 | 123 Ų | 123 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | | | trans | -54.9 | 84.4 | 151.4 | -79.1 | -175.1 | 175.2 | -159.9 | -0.5 | 103.4 | D56 E60 | D56-R58 PolarHBondContact O-N 3.01Å; R58-E60 PolarHBondContact O-N 3.05Å |
| 59 | V | 46.4 | Very low | 40.4 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | | | trans | -60.7 | 93.1 | 159.3 | 176.9 | 0 | 0 | 0 | 0 | 102.4 | N57 C61 | N57-V59 PolarHBondContact O-N 3.44Å; V59-C61 PolarHBondContact O-N 3.25Å |
| 60 | E | 41.5 | Very low | 40.5 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | trans | -54.1 | 110.1 | 178.1 | -173.2 | 171 | -174.8 | 0 | 0 | 106.4 | R58 S62 C65 | R58-E60 PolarHBondContact O-N 3.05Å; E60-S62 PolarHBondContact O-N 2.88Å; E60-C65 WeakPolarHBondContact CG-SG 3.3Å; E60-C65 PolarHBondContact OE1-SG 3.34Å |
| 61 | C | 37 | Very low | 40.7 | Very low | 52 Ų | 52 | 125 Ų | 125 | 35% | 0.351 | 70% | 0.701 | S | S | . | * | | | trans | -64.2 | 105.3 | -178.2 | 164.2 | 0 | 0 | 0 | 0 | 107 | V59 F63 C64 C65 | V59-C61 PolarHBondContact O-N 3.25Å; C61-F63 PolarHBondContact O-N 2.98Å; C61-C64 HydrophobicContact CB-CB 3.56Å; C61-C64 WeakPolarHBondContact CB-SG 3.12Å; C61-C64 PolarHBondContact O-N 2.63Å; C61-C64 WeakPolarHBondContact SG-CB 3.49Å; C61-C64 PolarHBondContact SG-N 2.9Å; C61-C64 CovalentContact SG-SG 2.06Å; C61-C64 PolarHBondContact SG-SG 3.27Å; C61-C65 PolarHBondContact O-N 2.68Å |
| 62 | S | 48.8 | Very low | 40.8 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -13.1 | 179.2 | -48.8 | 0 | 0 | 0 | 0 | 113.6 | E60 | E60-S62 PolarHBondContact O-N 2.88Š|
| 63 | F | 43.4 | Very low | 40.6 | Very low | 205 Ų | 205 | 130.3 Ų | 130.3 | 90% | 0.899 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -8.7 | 174.1 | -86.1 | -83.8 | 0 | 0 | 0 | 114.5 | C61 | C61-F63 PolarHBondContact O-N 2.98Š|
| 64 | C | 46.1 | Very low | 40.3 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 45% | 0.453 | 71% | 0.713 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.3 | -13.8 | -175.8 | -46.5 | 0 | 0 | 0 | 0 | 112.3 | C61 G66 | C61-C64 HydrophobicContact CB-CB 3.56Å; C61-C64 WeakPolarHBondContact CB-SG 3.12Å; C61-C64 PolarHBondContact O-N 2.63Å; C61-C64 WeakPolarHBondContact SG-CB 3.49Å; C61-C64 PolarHBondContact SG-N 2.9Å; C61-C64 CovalentContact SG-SG 2.06Å; C61-C64 PolarHBondContact SG-SG 3.27Å; C64-G66 PolarHBondContact O-N 2.69Å |
| 65 | C | 40.6 | Very low | 40.2 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 51% | 0.507 | 72% | 0.719 | S | S | . | * | | | trans | -84.2 | 25.6 | 179.2 | -62.6 | 0 | 0 | 0 | 0 | 114 | E60 C61 E67 | E60-C65 WeakPolarHBondContact CG-SG 3.3Å; E60-C65 PolarHBondContact OE1-SG 3.34Å; C61-C65 PolarHBondContact O-N 2.68Å; C65-E67 PolarHBondContact O-N 3.39Å |
| 66 | G | 36 | Very low | 40.2 | Very low | 46 Ų | 46 | 134.3 Ų | 134.3 | 47% | 0.474 | 73% | 0.726 | S | S | . | * | | | trans | -81.8 | 113.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | C64 N68 A69 | C64-G66 PolarHBondContact O-N 2.69Å; G66-N68 PolarHBondContact O-N 2.93Å; G66-A69 PolarHBondContact O-N 2.71Å |
| 67 | E | 42.1 | Very low | 40.3 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 4.7 | 172.4 | -144.2 | 173.7 | 162.9 | 0 | 0 | 114.6 | C65 | C65-E67 PolarHBondContact O-N 3.39Š|
| 68 | N | 42.4 | Very low | 40.4 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 25.9 | -178.3 | -61.5 | -38 | 0 | 0 | 0 | 112.7 | G66 E70 | G66-N68 PolarHBondContact O-N 2.93Å; N68-E70 PolarHBondContact O-N 2.98Å |
| 69 | A | 39.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | | | trans | -73.9 | 34.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G66 | G66-A69 PolarHBondContact O-N 2.71Š|
| 70 | E | 35.9 | Very low | 40.4 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | | | trans | -94.5 | 76.1 | 161.7 | -65.9 | -168.6 | 140.7 | 0 | 0 | 107.5 | N68 | N68-E70 PolarHBondContact O-N 2.98Š|
| 71 | S | 37.3 | Very low | 40.3 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | | | trans | -147.9 | 76.1 | 172.2 | -67.3 | 0 | 0 | 0 | 0 | 108.6 | S73 | S71-S73 PolarHBondContact O-N 2.72Š|
| 72 | E | 35.1 | Very low | 40.6 | Very low | 202 Ų | 202 | 135.2 Ų | 135.2 | 94% | 0.944 | 73% | 0.733 | S | S | * | * | | | trans | 4 | 65.3 | 134.5 | -153.6 | 177.5 | -150.4 | 0 | 0 | 116.4 | | |
| 73 | S | 35.7 | Very low | 40.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 179.3 | 114.4 | 153.8 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | S71 | S71-S73 PolarHBondContact O-N 2.72Š|
| 74 | G | 33.8 | Very low | 40.2 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | | | trans | 68.3 | 91.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R76 | G74-R76 PolarHBondContact O-N 2.86Š|
| 75 | Q | 38.7 | Very low | 39.8 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | | | trans | -49.1 | 85.8 | 148.9 | -73.2 | -175.8 | -39.6 | 0 | 0 | 108.6 | S77 | Q75-S77 PolarHBondContact O-N 3.13Š|
| 76 | R | 41.3 | Very low | 39.9 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | | | trans | -69.6 | 72.3 | 152.2 | -71.6 | 176.3 | 165.7 | -101.6 | -1.2 | 103.8 | G74 C78 | G74-R76 PolarHBondContact O-N 2.86Å; R76-C78 PolarHBondContact O-N 3.08Å |
| 77 | S | 44.8 | Very low | 40.2 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | | | trans | -50.3 | 112.6 | 168.1 | 60.7 | 0 | 0 | 0 | 0 | 104.6 | Q75 Q79 | Q75-S77 PolarHBondContact O-N 3.13Å; S77-Q79 VanDerWaalsContact C-N 3.27Å; S77-Q79 PolarHBondContact O-N 3.27Å |
| 78 | C | 42.3 | Very low | 40 | Very low | 72 Ų | 72 | 140 Ų | 140 | 49% | 0.486 | 75% | 0.745 | S | S | . | * | | | trans | -55.1 | 97.4 | 178.6 | -66.3 | 0 | 0 | 0 | 0 | 106.9 | R76 H80 | R76-C78 PolarHBondContact O-N 3.08Å; C78-H80 WeakPolarHBondContact CB-NE2 3.36Å; C78-H80 PolarHBondContact O-CE1 2.63Å; C78-H80 PolarHBondContact O-N 2.9Å; C78-H80 PolarHBondContact O-ND1 2.75Å; C78-H80 PolarHBondContact O-NE2 3.49Å |
| 79 | Q | 43.6 | Very low | 40 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | trans | -77.2 | 88.2 | 174.5 | -90 | -178.8 | -8.4 | 0 | 0 | 105.9 | S77 W81 | S77-Q79 VanDerWaalsContact C-N 3.27Å; S77-Q79 PolarHBondContact O-N 3.27Å; Q79-W81 PolarHBondContact O-N 3.37Å; Q79-W81 VanDerWaalsContact O-N 3.14Å |
| 80 | H | 43.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -67.3 | 106.9 | 173.6 | -34.6 | 97.6 | 0 | 0 | 0 | 107.8 | C78 T82 | C78-H80 WeakPolarHBondContact CB-NE2 3.36Å; C78-H80 PolarHBondContact O-CE1 2.63Å; C78-H80 PolarHBondContact O-N 2.9Å; C78-H80 PolarHBondContact O-ND1 2.75Å; C78-H80 PolarHBondContact O-NE2 3.49Å; H80-T82 PolarHBondContact O-N 2.76Å |
| 81 | W | 38.8 | Very low | 40.1 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | | | trans | -82.5 | 104.6 | 164.3 | 47.2 | -84.2 | 0 | 0 | 0 | 107.2 | Q79 Q83 | Q79-W81 PolarHBondContact O-N 3.37Å; Q79-W81 VanDerWaalsContact O-N 3.14Å; W81-Q83 HydrophobicContact CE3-CB 4.22Å; W81-Q83 HydrophobicContact CZ3-CB 4.08Å; W81-Q83 PolarHBondContact O-N 3.47Å; W81-Q83 VanDerWaalsContact O-N 3.12Å |
| 82 | T | 43.6 | Very low | 40.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | -72 | 106.9 | 169.8 | -50.7 | 0 | 0 | 0 | 0 | 107.4 | H80 V84 | H80-T82 PolarHBondContact O-N 2.76Å; T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 2.95Å |
| 83 | Q | 39.6 | Very low | 40.5 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | | | trans | -65.7 | 97.3 | 168.8 | -169.9 | 174.4 | 31 | 0 | 0 | 107.8 | W81 R85 | W81-Q83 HydrophobicContact CE3-CB 4.22Å; W81-Q83 HydrophobicContact CZ3-CB 4.08Å; W81-Q83 PolarHBondContact O-N 3.47Å; W81-Q83 VanDerWaalsContact O-N 3.12Å; Q83-R85 PolarHBondContact O-N 2.85Å |
| 84 | V | 43.8 | Very low | 40.9 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -64.2 | 90.2 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 107 | T82 P86 | T82-V84 VanDerWaalsContact C-N 3.32Å; T82-V84 PolarHBondContact O-N 2.95Å; V84-P86 WeakPolarHBondContact O-CD 3.35Å |
| 85 | R | 38.7 | Very low | 41.5 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -64.9 | 128 | 168.5 | -76 | -171.2 | 176.3 | -175 | 0.6 | 106.4 | Q83 S87 | Q83-R85 PolarHBondContact O-N 2.85Å; R85-S87 PolarHBondContact O-N 3.21Å |
| 86 | P | 41.3 | Very low | 41.9 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -63 | 93.8 | 168.6 | 24.7 | -30.1 | 0 | 0 | 0 | 107 | V84 N88 | V84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-N88 PolarHBondContact O-N 2.77Å; P86-N88 VanDerWaalsContact O-N 3.16Å |
| 87 | S | 42.6 | Very low | 42.2 | Very low | 98 Ų | 98 | 150.8 Ų | 150.8 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -58.7 | 123.7 | 171.3 | -174.1 | 0 | 0 | 0 | 0 | 106.3 | R85 T89 | R85-S87 PolarHBondContact O-N 3.21Å; S87-T89 PolarHBondContact O-N 2.91Å; S87-T89 PolarHBondContact O-OG1 3.33Å; S87-T89 VanDerWaalsContact O-OG1 3.1Å |
| 88 | N | 38.8 | Very low | 42 | Very low | 131 Ų | 131 | 158.7 Ų | 158.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -62.3 | 76.9 | -174.8 | -166.8 | -14.2 | 0 | 0 | 0 | 109.4 | P86 R90 | P86-N88 PolarHBondContact O-N 2.77Å; P86-N88 VanDerWaalsContact O-N 3.16Å; N88-R90 PolarHBondContact O-N 3.26Å |
| 89 | T | 41 | Very low | 41.7 | Very low | 121 Ų | 121 | 158.3 Ų | 158.3 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | -79.7 | 56.9 | 177.6 | 24.7 | 0 | 0 | 0 | 0 | 109.5 | S87 Q91 | S87-T89 PolarHBondContact O-N 2.91Å; S87-T89 PolarHBondContact O-OG1 3.33Å; S87-T89 VanDerWaalsContact O-OG1 3.1Å; T89-Q91 PolarHBondContact O-N 3.43Å |
| 90 | R | 37.6 | Very low | 41.8 | Very low | 227 Ų | 227 | 157.8 Ų | 157.8 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -78 | 2.5 | 165.6 | -95.4 | -177.8 | 168.7 | -114.7 | 0.7 | 113.2 | N88 | N88-R90 PolarHBondContact O-N 3.26Š|
| 91 | Q | 40 | Very low | 41.7 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -121.2 | 11.7 | -175.1 | -70.4 | -159.9 | -3.4 | 0 | 0 | 116.4 | T89 Q93 | T89-Q91 PolarHBondContact O-N 3.43Å; Q91-Q93 PolarHBondContact O-N 3.32Å |
| 92 | A | 40.2 | Very low | 42 | Very low | 82 Ų | 82 | 155.9 Ų | 155.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -78.1 | 77.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | K94 | A92-K94 VanDerWaalsContact C-N 3.3Å; A92-K94 PolarHBondContact O-N 3Å |
| 93 | Q | 41.6 | Very low | 41.8 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -54.1 | 96.9 | 163.9 | -66.7 | -169.2 | -6.2 | 0 | 0 | 107.8 | Q91 K95 | Q91-Q93 PolarHBondContact O-N 3.32Å; Q93-K95 PolarHBondContact O-N 2.79Å |
| 94 | K | 43.9 | Very low | 41.4 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 89.7 | 163.8 | -76.4 | -173 | 175.2 | -176.7 | 0 | 106.8 | A92 K96 | A92-K94 VanDerWaalsContact C-N 3.3Å; A92-K94 PolarHBondContact O-N 3Å; K94-K96 PolarHBondContact O-N 2.61Å |
| 95 | K | 46.9 | Very low | 41.5 | Very low | 189 Ų | 189 | 154 Ų | 154 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -37.8 | 114 | 147.9 | -86.4 | 177.7 | 171.3 | 175.9 | 0 | 105.8 | Q93 L97 | Q93-K95 PolarHBondContact O-N 2.79Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 3.29Å |
| 96 | K | 45.9 | Very low | 41.5 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | | | trans | -59.2 | 99.6 | 170.7 | -72.2 | 174.4 | 176.6 | 177.9 | 0 | 106.1 | K94 R98 | K94-K96 PolarHBondContact O-N 2.61Å; K96-R98 PolarHBondContact O-N 2.93Å |
| 97 | L | 47.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -64.8 | 91.8 | 163 | -89.5 | 156.3 | 0 | 0 | 0 | 106.2 | K95 G99 | K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 3.29Å; L97-G99 PolarHBondContact O-N 3.45Å |
| 98 | R | 41.7 | Very low | 41.2 | Very low | 246 Ų | 246 | 149.2 Ų | 149.2 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | | | trans | -58.2 | 117 | 161.5 | -159.4 | -176.7 | -162.6 | -167.3 | 3.7 | 105.2 | K96 | K96-R98 PolarHBondContact O-N 2.93Š|
| 99 | G | 35.7 | Very low | 41.2 | Very low | 63 Ų | 63 | 153.5 Ų | 153.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | 136 | 22.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119 | L97 Q101 | L97-G99 PolarHBondContact O-N 3.45Å; G99-Q101 VanDerWaalsContact C-N 3.31Å |
| 100 | L | 45.5 | Very low | 40.9 | Very low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -100.9 | 70.3 | 153.9 | -65.6 | -179.4 | 0 | 0 | 0 | 108.3 | N102 | L100-N102 PolarHBondContact O-N 2.96Š|
| 101 | Q | 40.6 | Very low | 40.9 | Very low | 186 Ų | 186 | 152.3 Ų | 152.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -77 | 49.9 | 170.6 | -160.6 | 176.4 | 20.2 | 0 | 0 | 109.2 | G99 G103 | G99-Q101 VanDerWaalsContact C-N 3.31Å; Q101-G103 VanDerWaalsContact C-N 3.33Å; Q101-G103 PolarHBondContact O-N 3.07Å |
| 102 | N | 46.9 | Very low | 40.6 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -94 | 84.6 | 163.3 | -68.6 | -7.9 | 0 | 0 | 0 | 104.6 | L100 H104 | L100-N102 PolarHBondContact O-N 2.96Å; N102-H104 PolarHBondContact O-N 3.49Å; N102-H104 VanDerWaalsContact O-N 3.1Å |
| 103 | G | 37.6 | Very low | 40.5 | Very low | 66 Ų | 66 | 153.9 Ų | 153.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | trans | -45.9 | 120.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q101 P105 | Q101-G103 VanDerWaalsContact C-N 3.33Å; Q101-G103 PolarHBondContact O-N 3.07Å; G103-P105 WeakPolarHBondContact O-CD 3.26Å; G103-P105 VanDerWaalsContact O-N 3.14Å |
| 104 | H | 31.7 | Very low | 40.2 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -58.4 | 114.6 | 170.5 | -171.9 | -64.1 | 0 | 0 | 0 | 106.5 | N102 D106 | N102-H104 PolarHBondContact O-N 3.49Å; N102-H104 VanDerWaalsContact O-N 3.1Å; H104-D106 PolarHBondContact O-N 2.96Å |
| 105 | P | 45.8 | Very low | 39.7 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | -62.8 | 117.5 | 172.2 | 24.6 | -29.6 | 0 | 0 | 0 | 106.9 | G103 P107 | G103-P105 WeakPolarHBondContact O-CD 3.26Å; G103-P105 VanDerWaalsContact O-N 3.14Å; P105-P107 WeakPolarHBondContact O-CD 3.37Å |
| 106 | D | 38.3 | Very low | 39.1 | Very low | 129 Ų | 129 | 150.9 Ų | 150.9 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | | | trans | -59.4 | 120.8 | 175.2 | -149.3 | -28.2 | 0 | 0 | 0 | 107.4 | H104 S108 | H104-D106 PolarHBondContact O-N 2.96Å; D106-S108 PolarHBondContact O-N 2.89Å |
| 107 | P | 40.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 151 Ų | 151 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -71 | 22.5 | -172.5 | 25.3 | -31.8 | 0 | 0 | 0 | 114.6 | P105 | P105-P107 WeakPolarHBondContact O-CD 3.37Š|
| 108 | S | 37.9 | Very low | 38.4 | Very low | 81 Ų | 81 | 150.5 Ų | 150.5 | 57% | 0.566 | 77% | 0.77 | S | S | * | * | | | trans | -111.6 | 50.6 | -172.5 | 59.8 | 0 | 0 | 0 | 0 | 113 | D106 | D106-S108 PolarHBondContact O-N 2.89Š|
| 109 | R | 38 | Very low | 38 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -161.2 | 64.7 | 167.6 | -108.1 | 166.8 | -123.6 | -121.1 | 8.7 | 111.8 | T111 | R109-T111 PolarHBondContact O-N 3.5Š|
| 110 | Y | 34.8 | Very low | 38.1 | Very low | 217 Ų | 217 | 148.8 Ų | 148.8 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -70.1 | 75.7 | 157.2 | -89.1 | -91.4 | 0 | 0 | 0 | 108.7 | | |
| 111 | T | 37.8 | Very low | 37.7 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -98.8 | 111.7 | 161.7 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | R109 S113 | R109-T111 PolarHBondContact O-N 3.5Å; T111-S113 PolarHBondContact O-N 3.46Å |
| 112 | H | 34.5 | Very low | 37.6 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | trans | -55.7 | 102.7 | 171.8 | -76.6 | 34 | 0 | 0 | 0 | 109.7 | | |
| 113 | S | 36.7 | Very low | 37.1 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -127.1 | 121.6 | 163.6 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | T111 | T111-S113 PolarHBondContact O-N 3.46Š|
| 114 | R | 36.7 | Very low | 37 | Very low | 228 Ų | 228 | 154.6 Ų | 154.6 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -49.9 | 140.2 | -178.9 | -66.7 | 166.8 | 177.7 | 171.4 | -2.2 | 112.5 | | |
| 115 | N | 32.5 | Very low | 37.2 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | 47.8 | 85.5 | 144.9 | -60.1 | -18.2 | 0 | 0 | 0 | 117.3 | | |
| 116 | T | 34.6 | Very low | 36.9 | Very low | 115 Ų | 115 | 154.2 Ų | 154.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -129.3 | 110.7 | 148.6 | -34.1 | 0 | 0 | 0 | 0 | 108.7 | E118 | T116-E118 HydrophobicContact CG2-CG 3.93Å; T116-E118 PolarHBondContact O-N 3.18Å |
| 117 | K | 37.5 | Very low | 36.8 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -85.5 | 81.9 | -177.6 | -159.2 | 175.6 | -173.3 | -179.1 | 0 | 106.4 | N119 | K117-N119 PolarHBondContact O-N 3.26Š|
| 118 | E | 39.9 | Very low | 36.5 | Very low | 160 Ų | 160 | 159.8 Ų | 159.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -91.6 | 101.4 | 178.7 | -65.5 | -169.6 | -172.7 | 0 | 0 | 109.6 | T116 T120 | T116-E118 HydrophobicContact CG2-CG 3.93Å; T116-E118 PolarHBondContact O-N 3.18Å; E118-T120 PolarHBondContact O-N 2.91Å |
| 119 | N | 34.6 | Very low | 36.3 | Very low | 150 Ų | 150 | 159.3 Ų | 159.3 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | -55.1 | 113.8 | 170.9 | -83.7 | -14.4 | 0 | 0 | 0 | 109.7 | K117 | K117-N119 PolarHBondContact O-N 3.26Š|
| 120 | T | 38.1 | Very low | 36 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -100 | 99.8 | 159.5 | -46.8 | 0 | 0 | 0 | 0 | 107.8 | E118 I122 | E118-T120 PolarHBondContact O-N 2.91Å; T120-I122 HydrophobicContact CG2-CG1 4.23Å; T120-I122 PolarHBondContact O-N 3.2Å |
| 121 | D | 37.1 | Very low | 36 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -60.6 | 91.7 | 170.4 | -112.5 | -34.6 | 0 | 0 | 0 | 109.6 | | |
| 122 | I | 38.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | -97.8 | 93.3 | 165.1 | -57.1 | 178.7 | 0 | 0 | 0 | 106.7 | T120 R124 | T120-I122 HydrophobicContact CG2-CG1 4.23Å; T120-I122 PolarHBondContact O-N 3.2Å; I122-R124 PolarHBondContact O-N 2.84Å |
| 123 | Q | 34.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 152 Ų | 152 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -59.8 | 103.2 | 172.3 | -68.7 | 178.5 | 8.7 | 0 | 0 | 109.5 | | |
| 124 | R | 36.1 | Very low | 35.7 | Very low | 221 Ų | 221 | 150.6 Ų | 150.6 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -87 | 125 | 159.2 | -102 | -176.3 | 177.1 | -137.3 | 0.1 | 107.8 | I122 T126 | I122-R124 PolarHBondContact O-N 2.84Å; R124-T126 PolarHBondContact O-N 2.81Å |
| 125 | P | 35.5 | Very low | 35.5 | Very low | 131 Ų | 131 | 148 Ų | 148 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -60.7 | 114.7 | 178.1 | 22.9 | -29.9 | 0 | 0 | 0 | 109 | F127 | P125-F127 PolarHBondContact O-N 2.83Š|
| 126 | T | 40.4 | Very low | 35.7 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 114.3 | 176.6 | -20 | 0 | 0 | 0 | 0 | 106.9 | R124 N128 | R124-T126 PolarHBondContact O-N 2.81Å; T126-N128 PolarHBondContact O-N 2.9Å |
| 127 | F | 35.3 | Very low | 35.7 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -66.6 | 124.8 | 176.7 | -161.9 | -102 | 0 | 0 | 0 | 108.6 | P125 G129 | P125-F127 PolarHBondContact O-N 2.83Å; F127-G129 PolarHBondContact O-N 3.3Å |
| 128 | N | 35.3 | Very low | 35.6 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -60 | 94.7 | -179.9 | -74.4 | -23.6 | 0 | 0 | 0 | 110.9 | T126 | T126-N128 PolarHBondContact O-N 2.9Š|
| 129 | G | 33.3 | Very low | 35.3 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | -105 | 98.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F127 S131 | F127-G129 PolarHBondContact O-N 3.3Å; G129-S131 PolarHBondContact O-N 2.91Å |
| 130 | N | 32.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -60.5 | 112.5 | 171.8 | -67.8 | -0.7 | 0 | 0 | 0 | 110 | | |
| 131 | S | 32.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -165.6 | 102.7 | 145.8 | -155.5 | 0 | 0 | 0 | 0 | 109 | G129 D133 | G129-S131 PolarHBondContact O-N 2.91Å; S131-D133 PolarHBondContact O-N 3.35Å |
| 132 | I | 33.6 | Very low | 35.4 | Very low | 167 Ų | 167 | 147 Ų | 147 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -81.9 | 101.6 | 168.6 | -62 | 161.5 | 0 | 0 | 0 | 104.7 | | |
| 133 | D | 38.2 | Very low | 35.2 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -154.9 | 117.4 | 161.6 | -88.7 | -40.1 | 0 | 0 | 0 | 110.8 | S131 | S131-D133 PolarHBondContact O-N 3.35Š|
| 134 | G | 31.4 | Very low | 35.1 | Very low | 75 Ų | 75 | 144.5 Ų | 144.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 77.6 | 85.8 | 133 | 0 | 0 | 0 | 0 | 0 | 117.7 | S136 | G134-S136 PolarHBondContact O-N 3.46Š|
| 135 | L | 33.6 | Very low | 34.9 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -35.6 | 118.3 | 151.2 | -65.3 | 155.1 | 0 | 0 | 0 | 112.7 | | |
| 136 | S | 35.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -141.9 | 86 | 149.6 | 179 | 0 | 0 | 0 | 0 | 109.8 | G134 R138 | G134-S136 PolarHBondContact O-N 3.46Å; S136-R138 PolarHBondContact O-N 2.97Å |
| 137 | M | 35.6 | Very low | 34.6 | Very low | 163 Ų | 163 | 140 Ų | 140 | 80% | 0.803 | 79% | 0.793 | S | S | * | * | | | trans | -60.4 | 78.5 | 162.1 | -69.7 | -91.5 | -68.4 | 0 | 0 | 109.9 | | |
| 138 | R | 35.8 | Very low | 34.6 | Very low | 223 Ų | 223 | 136.1 Ų | 136.1 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -103.4 | 97.6 | 156.8 | -95.6 | -175.6 | 172.9 | 167.3 | -0.8 | 107.5 | S136 P140 | S136-R138 PolarHBondContact O-N 2.97Å; R138-P140 WeakPolarHBondContact O-CD 3.11Å |
| 139 | N | 32.2 | Very low | 34.3 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | -50.2 | 117.5 | 160.4 | -70.7 | -47.9 | 0 | 0 | 0 | 107.6 | S141 | N139-S141 VanDerWaalsContact C-N 3.32Å; N139-S141 PolarHBondContact O-N 3.46Å |
| 140 | P | 42.2 | Very low | 34.6 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -66.2 | 104.7 | 160.1 | 26.5 | -28.1 | 0 | 0 | 0 | 106.2 | R138 E142 | R138-P140 WeakPolarHBondContact O-CD 3.11Å; P140-E142 PolarHBondContact O-N 3.07Å |
| 141 | S | 34.2 | Very low | 35 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -46.3 | 131 | 162.8 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | N139 T143 | N139-S141 VanDerWaalsContact C-N 3.32Å; N139-S141 PolarHBondContact O-N 3.46Å; S141-T143 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-OG1 3.49Å |
| 142 | E | 35.4 | Very low | 35.4 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -34.2 | 92.6 | 168.2 | -60.8 | 172.3 | 173.7 | 0 | 0 | 111.1 | P140 | P140-E142 PolarHBondContact O-N 3.07Š|
| 143 | T | 34.9 | Very low | 35.7 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -100.5 | 105.7 | 172.6 | -52.2 | 0 | 0 | 0 | 0 | 106.2 | S141 T145 | S141-T143 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-OG1 3.49Å; T143-T145 PolarHBondContact O-N 3.4Å |
| 144 | N | 33.8 | Very low | 35.7 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -39.1 | 127 | 177.3 | -76.1 | -60.1 | 0 | 0 | 0 | 112.4 | S146 | N144-S146 PolarHBondContact O-N 2.94Å; N144-S146 PolarHBondContact O-OG 2.94Å |
| 145 | T | 31 | Very low | 36 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -31.3 | 98.5 | 167.1 | -48.6 | 0 | 0 | 0 | 0 | 112.1 | T143 | T143-T145 PolarHBondContact O-N 3.4Š|
| 146 | S | 35.4 | Very low | 36.3 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -112.5 | 60.2 | 165.9 | -59 | 0 | 0 | 0 | 0 | 108.5 | N144 | N144-S146 PolarHBondContact O-N 2.94Å; N144-S146 PolarHBondContact O-OG 2.94Å |
| 147 | N | 33.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -103.7 | 68.4 | 160.1 | -83.5 | -19.5 | 0 | 0 | 0 | 108.1 | A149 | N147-A149 PolarHBondContact O-N 3.29Š|
| 148 | S | 35.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -69.3 | 77.5 | 155 | -56.3 | 0 | 0 | 0 | 0 | 107.7 | A150 | S148-A150 PolarHBondContact O-N 3.33Š|
| 149 | A | 29.9 | Very low | 36.7 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -65.1 | 119.6 | 160 | 0 | 0 | 0 | 0 | 0 | 107.3 | N147 S151 | N147-A149 PolarHBondContact O-N 3.29Å; A149-S151 PolarHBondContact O-N 2.98Å |
| 150 | A | 39.1 | Very low | 37.1 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -59.5 | 103.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S148 R152 | S148-A150 PolarHBondContact O-N 3.33Å; A150-R152 PolarHBondContact O-N 2.93Å |
| 151 | S | 40.8 | Very low | 36.8 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -64.8 | 107 | 169.3 | -179 | 0 | 0 | 0 | 0 | 108.2 | A149 F153 | A149-S151 PolarHBondContact O-N 2.98Å; S151-F153 PolarHBondContact O-N 3.46Å |
| 152 | R | 42.5 | Very low | 36.9 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -69.3 | 18.3 | -177.1 | -69.6 | -175.7 | 173.2 | 178.9 | -2.4 | 114.5 | A150 | A150-R152 PolarHBondContact O-N 2.93Š|
| 153 | F | 40.1 | Very low | 36.8 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | -133 | 60.1 | -176.8 | -60.3 | -74.8 | 0 | 0 | 0 | 111.2 | S151 | S151-F153 PolarHBondContact O-N 3.46Š|
| 154 | K | 37.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | | | trans | -111.8 | 83.9 | 152.4 | -76.3 | -174.8 | 172.7 | -177.1 | 0 | 106.8 | D156 | K154-D156 PolarHBondContact O-N 3.32Å; K154-D156 VanDerWaalsContact O-N 3.14Å |
| 155 | C | 38 | Very low | 37 | Very low | 117 Ų | 117 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -68.1 | 107.3 | 162.8 | -62.3 | 0 | 0 | 0 | 0 | 106.1 | R157 | C155-R157 PolarHBondContact O-N 2.91Å; C155-R157 VanDerWaalsContact O-N 3.07Å |
| 156 | D | 39.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | -55.2 | 113.8 | 170.1 | -75.9 | -46.2 | 0 | 0 | 0 | 108.5 | K154 F158 | K154-D156 PolarHBondContact O-N 3.32Å; K154-D156 VanDerWaalsContact O-N 3.14Å; D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 HydrophobicContact CB-CE2 4.26Å; D156-F158 WeakPolarHBondContact O-CD2 3.49Å; D156-F158 PolarHBondContact O-N 2.86Å |
| 157 | R | 35.5 | Very low | 37.2 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -73.2 | 90.1 | 178.3 | -160.3 | 175.5 | -162.7 | 166 | 3.4 | 106.7 | C155 S159 | C155-R157 PolarHBondContact O-N 2.91Å; C155-R157 VanDerWaalsContact O-N 3.07Å; R157-S159 PolarHBondContact O-N 2.93Å |
| 158 | F | 41.7 | Very low | 37.3 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -63.2 | 103.4 | 170.8 | -76.1 | -81.9 | 0 | 0 | 0 | 108.9 | D156 H160 | D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 HydrophobicContact CB-CE2 4.26Å; D156-F158 WeakPolarHBondContact O-CD2 3.49Å; D156-F158 PolarHBondContact O-N 2.86Å; F158-H160 VanDerWaalsContact C-N 3.29Å; F158-H160 PolarHBondContact O-N 2.99Å |
| 159 | S | 38.4 | Very low | 37.2 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -66.5 | 85.4 | 167.8 | -66.8 | 0 | 0 | 0 | 0 | 109 | R157 S161 | R157-S159 PolarHBondContact O-N 2.93Å; S159-S161 PolarHBondContact O-N 2.84Å |
| 160 | H | 40.4 | Very low | 37.6 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | -85.6 | 109.5 | 165.7 | -72.6 | -60.6 | 0 | 0 | 0 | 109.4 | F158 | F158-H160 VanDerWaalsContact C-N 3.29Å; F158-H160 PolarHBondContact O-N 2.99Å |
| 161 | S | 35.6 | Very low | 37.3 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -52.1 | 132.3 | 172.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | S159 N163 | S159-S161 PolarHBondContact O-N 2.84Å; S161-N163 PolarHBondContact O-N 2.91Å |
| 162 | S | 36.3 | Very low | 37 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -20.6 | 115.1 | 153.9 | -179.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 163 | N | 33.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -119.4 | 107 | 153.3 | -134.4 | 0 | 0 | 0 | 0 | 108 | S161 N165 | S161-N163 PolarHBondContact O-N 2.91Å; N163-N165 PolarHBondContact O-N 2.89Å |
| 164 | K | 36.2 | Very low | 36.3 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | trans | -59.1 | 127.5 | 167.5 | -62.5 | 169.2 | 175.4 | 178.4 | 0 | 107.1 | | |
| 165 | N | 36.9 | Very low | 36.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -153.3 | 119.8 | 147.3 | -90.5 | -21.9 | 0 | 0 | 0 | 108.7 | N163 | N163-N165 PolarHBondContact O-N 2.89Š|
| 166 | A | 32.8 | Very low | 36 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -75.6 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 167 | P | 37.4 | Very low | 36 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -86.1 | 139.7 | -157.3 | 33.7 | -31.8 | 0 | 0 | 0 | 112.3 | | |
| 168 | T | 36.2 | Very low | 36.1 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -114.6 | 120.3 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 109 | | |
| 169 | S | 33.4 | Very low | 36 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | trans | -65.5 | 127.5 | 164.2 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 170 | N | 37 | Very low | 36.1 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -145 | 119.5 | 151.4 | -109.2 | -21.2 | 0 | 0 | 0 | 109.7 | E172 | N170-E172 PolarHBondContact O-N 3.04Š|
| 171 | A | 33 | Very low | 36.1 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -78 | 108.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 172 | E | 34.5 | Very low | 36.7 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -135.4 | 106.3 | 166.4 | -128.5 | 168.4 | 137.5 | 0 | 0 | 109.4 | N170 T174 | N170-E172 PolarHBondContact O-N 3.04Å; E172-T174 PolarHBondContact O-N 3.29Å; E172-T174 VanDerWaalsContact O-N 3.11Å |
| 173 | Q | 32.9 | Very low | 36.9 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -66.1 | 101.3 | 168.3 | -77 | 177.1 | 5.8 | 0 | 0 | 108.3 | | |
| 174 | T | 36.4 | Very low | 37.5 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -124.4 | 127 | 164.7 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | E172 | E172-T174 PolarHBondContact O-N 3.29Å; E172-T174 VanDerWaalsContact O-N 3.11Å |
| 175 | K | 33.9 | Very low | 38.2 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -14.7 | 149.2 | 173.8 | -93.1 | 171.1 | 168.8 | 173.2 | 0 | 119.1 | I177 | K175-I177 PolarHBondContact O-N 3.41Å; K175-I177 VanDerWaalsContact O-N 3.08Å |
| 176 | P | 34.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -70.9 | 105.6 | -179.9 | 31 | -32.9 | 0 | 0 | 0 | 110.3 | | |
| 177 | I | 40.5 | Very low | 39.3 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | trans | -89.4 | 111.2 | 165 | -64.8 | 169.1 | 0 | 0 | 0 | 106.5 | K175 S179 | K175-I177 PolarHBondContact O-N 3.41Å; K175-I177 VanDerWaalsContact O-N 3.08Å; I177-S179 PolarHBondContact O-N 3.21Å |
| 178 | A | 36.1 | Very low | 39.6 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -58.5 | 100.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 179 | S | 40.3 | Very low | 40.1 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | | | trans | -148.3 | 109.2 | 171.6 | -74.3 | 0 | 0 | 0 | 0 | 108.2 | I177 | I177-S179 PolarHBondContact O-N 3.21Š|
| 180 | N | 40.2 | Very low | 40.7 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | 46.2 | 93.9 | 150 | -53.6 | -13.1 | 0 | 0 | 0 | 114.1 | S182 | N180-S182 PolarHBondContact O-N 2.06Å; N180-S182 PolarHBondContact O-OG 2.93Å |
| 181 | S | 41.3 | Very low | 41.1 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -52.7 | 87.3 | 165.6 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | S183 | S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 2.95Å; S181-S183 VanDerWaalsContact O-N 3.08Å |
| 182 | S | 46.4 | Very low | 41.4 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -72.6 | 97.2 | 163.6 | -54.7 | 0 | 0 | 0 | 0 | 104 | N180 | N180-S182 PolarHBondContact O-N 2.06Å; N180-S182 PolarHBondContact O-OG 2.93Å |
| 183 | S | 41.9 | Very low | 42 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 127.8 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 108.2 | S181 A185 | S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 2.95Å; S181-S183 VanDerWaalsContact O-N 3.08Å; S183-A185 PolarHBondContact O-N 3.08Å |
| 184 | P | 45.1 | Very low | 42.3 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 120.9 | 179.7 | 21 | -30.1 | 0 | 0 | 0 | 108.3 | | |
| 185 | A | 51.6 | Low | 42.4 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 136.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S183 S187 | S183-A185 PolarHBondContact O-N 3.08Å; A185-S187 PolarHBondContact O-N 2.72Å |
| 186 | P | 47.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 117.6 | -179.4 | 23.5 | -32 | 0 | 0 | 0 | 108.8 | V188 | P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.89Å |
| 187 | S | 44.9 | Very low | 43.4 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -61.2 | 99.6 | 164.7 | -57.1 | 0 | 0 | 0 | 0 | 106.9 | A185 S189 | A185-S187 PolarHBondContact O-N 2.72Å; S187-S189 VanDerWaalsContact C-N 3.32Å; S187-S189 PolarHBondContact O-N 3.34Å |
| 188 | V | 44 | Very low | 43.7 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | trans | -64.2 | 97.3 | 168.8 | -88.4 | 0 | 0 | 0 | 0 | 107.1 | P186 S190 | P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.89Å; V188-S190 PolarHBondContact O-N 3.14Å |
| 189 | S | 46.8 | Very low | 44.1 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | | | trans | -63.1 | 105.5 | 162.5 | -147.3 | 0 | 0 | 0 | 0 | 105.7 | S187 D191 | S187-S189 VanDerWaalsContact C-N 3.32Å; S187-S189 PolarHBondContact O-N 3.34Å; S189-D191 PolarHBondContact O-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 3.1Å |
| 190 | S | 45.8 | Very low | 44.4 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -74.4 | 60 | 171.9 | 44.6 | 0 | 0 | 0 | 0 | 109.4 | V188 | V188-S190 PolarHBondContact O-N 3.14Š|
| 191 | D | 45 | Very low | 44.7 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | | | trans | -100.7 | 89.1 | 167.1 | -65.7 | -51.4 | 0 | 0 | 0 | 106.3 | S189 P193 | S189-D191 PolarHBondContact O-N 3.06Å; S189-D191 PolarHBondContact OG-OD2 3.1Å; D191-P193 WeakPolarHBondContact O-CD 3.31Å |
| 192 | L | 39.6 | Very low | 45.1 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | | | trans | -74.6 | 109.4 | 167.2 | -72.5 | 152.8 | 0 | 0 | 0 | 108.4 | | |
| 193 | P | 47.3 | Very low | 45.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | trans | -98.3 | 104.9 | 140.9 | 30.8 | -27.1 | 0 | 0 | 0 | 107 | D191 G195 | D191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-G195 PolarHBondContact O-N 3.05Å |
| 194 | N | 40 | Very low | 45.2 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | -41.3 | 134.4 | 159.8 | -94.3 | -11.5 | 0 | 0 | 0 | 110.7 | | |
| 195 | G | 38.3 | Very low | 45.6 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | 69.9 | 81.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | P193 | P193-G195 PolarHBondContact O-N 3.05Š|
| 196 | H | 43.1 | Very low | 45.5 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -117.4 | 91.1 | 138.2 | -152.3 | 61.5 | 0 | 0 | 0 | 107.2 | F198 | H196-F198 HydrophobicContact CB-CE2 4.49Å; H196-F198 WeakPolarHBondContact O-CD2 3.48Å; H196-F198 PolarHBondContact O-N 3.29Å |
| 197 | D | 45.7 | Very low | 45.6 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -53.9 | 100.2 | 154.9 | -75.8 | -47.7 | 0 | 0 | 0 | 105.6 | S199 | D197-S199 PolarHBondContact O-N 3.25Š|
| 198 | F | 46.6 | Very low | 45.6 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -63.7 | 80.2 | 163.4 | -79.9 | -90.7 | 0 | 0 | 0 | 106 | H196 D200 | H196-F198 HydrophobicContact CB-CE2 4.49Å; H196-F198 WeakPolarHBondContact O-CD2 3.48Å; H196-F198 PolarHBondContact O-N 3.29Å; F198-D200 PolarHBondContact O-N 3.11Å |
| 199 | S | 45.6 | Very low | 45.7 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | trans | -54.5 | 102.5 | 151.3 | -77.5 | 0 | 0 | 0 | 0 | 104.1 | D197 N201 | D197-S199 PolarHBondContact O-N 3.25Å; S199-N201 PolarHBondContact O-N 3.42Å |
| 200 | D | 45.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | | | trans | -56 | 83.3 | 167.5 | -100.3 | -38.6 | 0 | 0 | 0 | 106.8 | F198 R202 | F198-D200 PolarHBondContact O-N 3.11Å; D200-R202 PolarHBondContact O-N 3.12Å |
| 201 | N | 47.3 | Very low | 45.7 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | -77.2 | 36 | 176.6 | -154.1 | 20.5 | 0 | 0 | 0 | 109.1 | S199 T203 | S199-N201 PolarHBondContact O-N 3.42Å; N201-T203 PolarHBondContact O-N 3.03Å; N201-T203 PolarHBondContact OD1-OG1 3.48Å |
| 202 | R | 50.2 | Low | 45.7 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 70% | 0.698 | 75% | 0.747 | S | S | * | * | | | trans | -74.4 | 72.5 | 158.7 | -62.2 | -173.9 | -173.8 | -154 | -0.1 | 105.8 | D200 F204 | D200-R202 PolarHBondContact O-N 3.12Å; R202-F204 HydrophobicContact CB-CD2 4.37Å; R202-F204 HydrophobicContact CB-CE2 4.08Å; R202-F204 WeakPolarHBondContact O-CD2 3.43Å; R202-F204 PolarHBondContact O-N 2.97Å |
| 203 | T | 45.5 | Very low | 45.9 | Very low | 114 Ų | 114 | 143 Ų | 143 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | trans | -60.6 | 85.1 | 157.3 | -62.4 | 0 | 0 | 0 | 0 | 105.7 | N201 | N201-T203 PolarHBondContact O-N 3.03Å; N201-T203 PolarHBondContact OD1-OG1 3.48Å |
| 204 | F | 45.4 | Very low | 45.5 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | | | trans | -54.3 | 134.2 | 163.5 | -73.7 | -81.8 | 0 | 0 | 0 | 106 | R202 R206 | R202-F204 HydrophobicContact CB-CD2 4.37Å; R202-F204 HydrophobicContact CB-CE2 4.08Å; R202-F204 WeakPolarHBondContact O-CD2 3.43Å; R202-F204 PolarHBondContact O-N 2.97Å; F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 3.44Å |
| 205 | P | 52.8 | Low | 45.8 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | | | trans | -55.3 | 100.2 | 172 | -21 | 30.8 | 0 | 0 | 0 | 107.6 | Y207 | P205-Y207 PolarHBondContact O-N 2.93Š|
| 206 | R | 48.7 | Very low | 46.2 | Very low | 240 Ų | 240 | 151.2 Ų | 151.2 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -66.9 | 98.4 | 168 | -71.5 | -171 | -179.7 | -175.3 | 1.6 | 103.9 | F204 A208 | F204-R206 VanDerWaalsContact C-N 3.29Å; F204-R206 PolarHBondContact O-N 3.44Å; R206-A208 PolarHBondContact O-N 3.01Å; R206-A208 VanDerWaalsContact O-N 3.08Å |
| 207 | Y | 50.4 | Low | 45.9 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | | | trans | -49 | 123.1 | 168.1 | -71.3 | -82.7 | 0 | 0 | 0 | 106.6 | P205 H209 | P205-Y207 PolarHBondContact O-N 2.93Å; Y207-H209 VanDerWaalsContact C-N 3.29Å; Y207-H209 PolarHBondContact O-N 2.95Å |
| 208 | A | 44.9 | Very low | 45.7 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -58.6 | 100.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | R206 K210 | R206-A208 PolarHBondContact O-N 3.01Å; R206-A208 VanDerWaalsContact O-N 3.08Å; A208-K210 VanDerWaalsContact C-N 3.31Å; A208-K210 PolarHBondContact O-N 2.73Å |
| 209 | H | 44.7 | Very low | 45.2 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | | | trans | -61.1 | 106.3 | 165.4 | -68.3 | -75.2 | 0 | 0 | 0 | 104.8 | Y207 S211 | Y207-H209 VanDerWaalsContact C-N 3.29Å; Y207-H209 PolarHBondContact O-N 2.95Å; H209-S211 PolarHBondContact O-N 2.94Å |
| 210 | K | 48 | Very low | 44.7 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | trans | -61.7 | 83.2 | 161.5 | -65.1 | 178.5 | 174.2 | -172 | 0 | 105.6 | A208 S212 | A208-K210 VanDerWaalsContact C-N 3.31Å; A208-K210 PolarHBondContact O-N 2.73Å; K210-S212 VanDerWaalsContact C-N 3.26Å; K210-S212 PolarHBondContact O-N 3.36Å; K210-S212 PolarHBondContact O-OG 2.95Å |
| 211 | S | 44.9 | Very low | 44.1 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | | | trans | -69.1 | 94.1 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 105.9 | H209 R213 | H209-S211 PolarHBondContact O-N 2.94Å; S211-R213 PolarHBondContact O-N 3.14Å |
| 212 | S | 46.4 | Very low | 43.4 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -71.3 | 18.8 | 177.2 | -39.5 | 0 | 0 | 0 | 0 | 112.8 | K210 S214 | K210-S212 VanDerWaalsContact C-N 3.26Å; K210-S212 PolarHBondContact O-N 3.36Å; K210-S212 PolarHBondContact O-OG 2.95Å; S212-S214 PolarHBondContact O-N 2.99Å |
| 213 | R | 42.5 | Very low | 42.6 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | | | trans | -101.2 | 78.4 | -177.9 | -76.3 | 176.6 | 166.5 | -113.5 | 2.6 | 109.1 | S211 F215 | S211-R213 PolarHBondContact O-N 3.14Å; R213-F215 VanDerWaalsContact C-N 3.25Å; R213-F215 HydrophobicContact CB-CD2 4.15Å; R213-F215 HydrophobicContact CB-CE2 3.91Å; R213-F215 PolarHBondContact O-N 3.31Å |
| 214 | S | 39.9 | Very low | 41.9 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -66.7 | 93 | 155.6 | 52 | 0 | 0 | 0 | 0 | 107.6 | S212 R216 | S212-S214 PolarHBondContact O-N 2.99Å; S214-R216 VanDerWaalsContact C-N 3.33Å; S214-R216 PolarHBondContact O-N 3.39Å |
| 215 | F | 44.8 | Very low | 41.5 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -69.2 | 100.9 | 160.6 | -73.3 | -81.6 | 0 | 0 | 0 | 106.4 | R213 S217 | R213-F215 VanDerWaalsContact C-N 3.25Å; R213-F215 HydrophobicContact CB-CD2 4.15Å; R213-F215 HydrophobicContact CB-CE2 3.91Å; R213-F215 PolarHBondContact O-N 3.31Å; F215-S217 PolarHBondContact O-N 3.14Å |
| 216 | R | 47.2 | Very low | 40.6 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -65.7 | 85.3 | 160.3 | -69 | -167.8 | 177.8 | -166 | -0.1 | 106.8 | S214 S218 | S214-R216 VanDerWaalsContact C-N 3.33Å; S214-R216 PolarHBondContact O-N 3.39Å; R216-S218 PolarHBondContact O-N 2.97Å |
| 217 | S | 37 | Very low | 40.2 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -82.4 | 85.8 | 161.4 | -137.4 | 0 | 0 | 0 | 0 | 106.2 | F215 T219 | F215-S217 PolarHBondContact O-N 3.14Å; S217-T219 PolarHBondContact O-N 3.43Å |
| 218 | S | 41.7 | Very low | 39.3 | Very low | 113 Ų | 113 | 144 Ų | 144 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -73.2 | 77.2 | 163.9 | 52.3 | 0 | 0 | 0 | 0 | 107.4 | R216 | R216-S218 PolarHBondContact O-N 2.97Š|
| 219 | T | 36.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -102.7 | 102.3 | 162.6 | -9.3 | 0 | 0 | 0 | 0 | 105.6 | S217 A221 | S217-T219 PolarHBondContact O-N 3.43Å; T219-A221 PolarHBondContact O-N 2.8Å |
| 220 | Q | 34.3 | Very low | 38.3 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -51.1 | 101.4 | 167.5 | -71.4 | 172.5 | -27.5 | 0 | 0 | 108.1 | N222 | Q220-N222 VanDerWaalsContact C-N 3.35Å; Q220-N222 PolarHBondContact O-N 2.94Å |
| 221 | A | 34 | Very low | 37.6 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -74.4 | 101.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | T219 | T219-A221 PolarHBondContact O-N 2.8Š|
| 222 | N | 30.8 | Very low | 37.2 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -97.7 | 80.9 | -176.9 | -162.3 | 14.2 | 0 | 0 | 0 | 106.6 | Q220 | Q220-N222 VanDerWaalsContact C-N 3.35Å; Q220-N222 PolarHBondContact O-N 2.94Å |
| 223 | E | 35.3 | Very low | 36.5 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | trans | -142 | 91.6 | 170.7 | -65.4 | -174.8 | 151.8 | 0 | 0 | 104.9 | | |
| 224 | S | 30.5 | Very low | 36.2 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | | 66.6 | 77.2 | 92.2 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 225 | D | 37.2 | Very low | 35.8 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | -131.5 | 95.3 | 150.4 | -88.3 | -41.7 | 0 | 0 | 0 | 108.4 | L227 | D225-L227 PolarHBondContact O-N 3.07Å; D225-L227 VanDerWaalsContact O-N 3.14Å |
| 226 | D | 33.9 | Very low | 35.5 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -63.9 | 96.7 | 167.7 | -78.2 | -55.3 | 0 | 0 | 0 | 110.2 | | |
| 227 | L | 40 | Very low | 34.9 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | -130.8 | 82.2 | 158 | -84.9 | 168.3 | 0 | 0 | 0 | 110.3 | D225 S229 | D225-L227 PolarHBondContact O-N 3.07Å; D225-L227 VanDerWaalsContact O-N 3.14Å; L227-S229 PolarHBondContact O-N 2.91Å; L227-S229 VanDerWaalsContact O-N 3.14Å |
| 228 | N | 31.7 | Very low | 34.6 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | -47.9 | 105.6 | 156.2 | 179.3 | 12.9 | 0 | 0 | 0 | 110.7 | | |
| 229 | S | 34.8 | Very low | 34.3 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -150 | 104.7 | 159.8 | -155.6 | 0 | 0 | 0 | 0 | 112.1 | L227 | L227-S229 PolarHBondContact O-N 2.91Å; L227-S229 VanDerWaalsContact O-N 3.14Å |
| 230 | Q | 33.2 | Very low | 33.8 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | 64.3 | 97.6 | 143.4 | -57.3 | -131.8 | -34.2 | 0 | 0 | 119.3 | S232 | Q230-S232 PolarHBondContact O-N 2.96Š|
| 231 | R | 32.3 | Very low | 33.6 | Very low | 229 Ų | 229 | 133 Ų | 133 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -25.6 | 120 | 136.4 | -87.6 | 171.8 | 156.2 | -170.9 | -4.6 | 112.7 | | |
| 232 | S | 37.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -132.8 | 105.5 | 147.4 | -68.3 | 0 | 0 | 0 | 0 | 107.7 | Q230 A234 | Q230-S232 PolarHBondContact O-N 2.96Å; S232-A234 PolarHBondContact O-N 2.92Å |
| 233 | N | 31.9 | Very low | 33.5 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | trans | -69.3 | 118.9 | 173.8 | -66.8 | -59.8 | 0 | 0 | 0 | 109.1 | | |
| 234 | A | 35.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -126.9 | 115.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S232 | S232-A234 PolarHBondContact O-N 2.92Š|
| 235 | S | 32.1 | Very low | 33.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -56.3 | 150.9 | -170.6 | -67.4 | 0 | 0 | 0 | 0 | 114.8 | V237 | S235-V237 PolarHBondContact O-N 2.87Š|
| 236 | P | 37.9 | Very low | 33.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | trans | -74.7 | 110.2 | 171.7 | 30.6 | -31.1 | 0 | 0 | 0 | 109.7 | T238 | P236-T238 PolarHBondContact O-N 2.89Š|
| 237 | V | 35.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -88.8 | 101.9 | 165.1 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | S235 | S235-V237 PolarHBondContact O-N 2.87Š|
| 238 | T | 30.7 | Very low | 33.1 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | 112 | 169.9 | -44.6 | 0 | 0 | 0 | 0 | 108.9 | P236 | P236-T238 PolarHBondContact O-N 2.89Š|
| 239 | V | 35.4 | Very low | 33.4 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | | | trans | -145.9 | 117.8 | 152.3 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | G241 | V239-G241 PolarHBondContact O-N 3.42Š|
| 240 | G | 25.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 136.1 Ų | 136.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | -62.5 | 125.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 241 | G | 29.9 | Very low | 33.6 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -124.7 | 110.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V239 N243 | V239-G241 PolarHBondContact O-N 3.42Å; G241-N243 PolarHBondContact O-N 2.78Å |
| 242 | A | 31.6 | Very low | 33.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -61.4 | 117 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 243 | N | 32.1 | Very low | 33.5 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 168.4 | 106.4 | 127.2 | -92.4 | -41.7 | 0 | 0 | 0 | 109.9 | G241 R245 | G241-N243 PolarHBondContact O-N 2.78Å; N243-R245 PolarHBondContact O-N 2.83Å |
| 244 | T | 32.1 | Very low | 33.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -59.8 | 90.1 | 170 | 27 | 0 | 0 | 0 | 0 | 111.3 | | |
| 245 | R | 35.3 | Very low | 33.6 | Very low | 236 Ų | 236 | 136.3 Ų | 136.3 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -115 | 81.2 | 147.8 | -83.7 | -175.4 | -177.5 | 161.2 | 2 | 108.2 | N243 R247 | N243-R245 PolarHBondContact O-N 2.83Å; R245-R247 PolarHBondContact O-N 3.35Å |
| 246 | N | 34.9 | Very low | 33.8 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 83.3 | 166.9 | -76 | -12.9 | 0 | 0 | 0 | 108.6 | A248 | N246-A248 PolarHBondContact O-N 2.81Š|
| 247 | R | 29.9 | Very low | 33.8 | Very low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 103.8 | 165.5 | -157.1 | 179.4 | -161.4 | -179.7 | 5.2 | 106.5 | R245 | R245-R247 PolarHBondContact O-N 3.35Š|
| 248 | A | 35.7 | Very low | 33.7 | Very low | 82 Ų | 82 | 138.8 Ų | 138.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 129.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109 | N246 V250 | N246-A248 PolarHBondContact O-N 2.81Å; A248-V250 PolarHBondContact O-N 2.77Å |
| 249 | P | 37.6 | Very low | 34.2 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -67.5 | 116.1 | 176.8 | 26.4 | -31.3 | 0 | 0 | 0 | 109.1 | S251 | P249-S251 VanDerWaalsContact C-N 3.32Å; P249-S251 PolarHBondContact O-N 2.77Å |
| 250 | V | 38.4 | Very low | 34.3 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -67.5 | 95.2 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | A248 R252 | A248-V250 PolarHBondContact O-N 2.77Å; V250-R252 PolarHBondContact O-N 2.7Å |
| 251 | S | 33 | Very low | 34.8 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 52% | 0.517 | 78% | 0.782 | S | S | . | * | | | trans | -66.5 | 116.8 | 176.5 | -169 | 0 | 0 | 0 | 0 | 109.7 | P249 Y253 | P249-S251 VanDerWaalsContact C-N 3.32Å; P249-S251 PolarHBondContact O-N 2.77Å; S251-Y253 PolarHBondContact O-N 3.12Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S251-Y253 WeakPolarHBondContact OG-CE2 3.43Å |
| 252 | R | 34.2 | Very low | 34.8 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -83.5 | 78.5 | 176.4 | -58.6 | -175.5 | -164.1 | -174.2 | 4.7 | 109.1 | V250 N254 | V250-R252 PolarHBondContact O-N 2.7Å; R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.29Å |
| 253 | Y | 33.8 | Very low | 34.9 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -87.2 | 86.3 | 164 | -67.9 | -65.1 | 0 | 0 | 0 | 109.8 | S251 V255 | S251-Y253 PolarHBondContact O-N 3.12Å; S251-Y253 WeakPolarHBondContact OG-CD2 3.41Å; S251-Y253 WeakPolarHBondContact OG-CE2 3.43Å; Y253-V255 PolarHBondContact O-N 2.89Å |
| 254 | N | 31.5 | Very low | 35.2 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | 5.3 | 98 | 141.8 | -143.5 | 14.8 | 0 | 0 | 0 | 116.1 | R252 | R252-N254 VanDerWaalsContact C-N 3.33Å; R252-N254 PolarHBondContact O-N 3.29Å |
| 255 | V | 39 | Very low | 35.5 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | | | trans | -112.6 | 106.7 | 153.8 | -174.3 | 0 | 0 | 0 | 0 | 105.4 | Y253 M257 | Y253-V255 PolarHBondContact O-N 2.89Å; V255-M257 PolarHBondContact O-N 3.02Å |
| 256 | N | 36.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | -52.6 | 99.7 | 171.2 | -83.9 | -32.1 | 0 | 0 | 0 | 108.9 | S258 | N256-S258 PolarHBondContact O-N 2.94Š|
| 257 | M | 36.8 | Very low | 35.9 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | -84.2 | 101.7 | 166.5 | -78.6 | -78.5 | 160.5 | 0 | 0 | 106.9 | V255 P259 | V255-M257 PolarHBondContact O-N 3.02Å; M257-P259 WeakPolarHBondContact O-CD 3.45Å |
| 258 | S | 35.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -70.3 | 120.5 | 156.7 | -67.9 | 0 | 0 | 0 | 0 | 107.4 | N256 Q260 | N256-S258 PolarHBondContact O-N 2.94Å; S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 2.95Å |
| 259 | P | 40.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | -77.1 | 85.7 | 179 | 30.2 | -30.8 | 0 | 0 | 0 | 108.4 | M257 S261 | M257-P259 WeakPolarHBondContact O-CD 3.45Å; P259-S261 PolarHBondContact O-N 3.05Å |
| 260 | Q | 37.8 | Very low | 36.9 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -83.4 | 102.5 | 172.9 | -159 | 159.3 | -3.5 | 0 | 0 | 109.1 | S258 G262 | S258-Q260 VanDerWaalsContact C-N 3.32Å; S258-Q260 PolarHBondContact O-N 2.95Å; Q260-G262 VanDerWaalsContact C-N 3.25Å; Q260-G262 PolarHBondContact O-N 3.39Å |
| 261 | S | 36 | Very low | 36.7 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -48.1 | 81.2 | 164.1 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | P259 | P259-S261 PolarHBondContact O-N 3.05Š|
| 262 | G | 29.3 | Very low | 37.6 | Very low | 57 Ų | 57 | 133.8 Ų | 133.8 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | | | trans | -88.6 | 116.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q260 I264 | Q260-G262 VanDerWaalsContact C-N 3.25Å; Q260-G262 PolarHBondContact O-N 3.39Å; G262-I264 PolarHBondContact O-N 3.16Å |
| 263 | A | 34.7 | Very low | 38.1 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | | | trans | -50.2 | 107.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | P265 | A263-P265 WeakPolarHBondContact O-CD 3.23Å; A263-P265 VanDerWaalsContact O-N 3.13Å |
| 264 | I | 36.9 | Very low | 38.6 | Very low | 140 Ų | 140 | 126 Ų | 126 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | | | trans | -62.6 | 117.6 | 174.3 | -59.5 | 174 | 0 | 0 | 0 | 104.5 | G262 T266 | G262-I264 PolarHBondContact O-N 3.16Å; I264-T266 HydrophobicContact CG2-CG2 4.46Å; I264-T266 PolarHBondContact O-N 3.45Å |
| 265 | P | 39.6 | Very low | 39.5 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | -66 | 90.1 | 172.1 | 25.6 | -30.1 | 0 | 0 | 0 | 107.7 | A263 A267 | A263-P265 WeakPolarHBondContact O-CD 3.23Å; A263-P265 VanDerWaalsContact O-N 3.13Å; P265-A267 PolarHBondContact O-N 2.9Å |
| 266 | T | 38.5 | Very low | 40 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -71.3 | 67.7 | 171.5 | 45.9 | 0 | 0 | 0 | 0 | 109.1 | I264 | I264-T266 HydrophobicContact CG2-CG2 4.46Å; I264-T266 PolarHBondContact O-N 3.45Å |
| 267 | A | 39.6 | Very low | 40.5 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | -168.3 | 39.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P265 Q269 | P265-A267 PolarHBondContact O-N 2.9Å; A267-Q269 PolarHBondContact O-N 2.73Å |
| 268 | Y | 41.7 | Very low | 40.9 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | -73.1 | 83.5 | 150.7 | -77.9 | -80.7 | 0 | 0 | 0 | 106.6 | N270 | Y268-N270 PolarHBondContact O-N 2.97Š|
| 269 | Q | 40.1 | Very low | 41.5 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | | | trans | -41.8 | 105.6 | 160.6 | -84.7 | -176.1 | -17.1 | 0 | 0 | 107 | A267 G271 | A267-Q269 PolarHBondContact O-N 2.73Å; Q269-G271 VanDerWaalsContact C-N 3.25Å; Q269-G271 PolarHBondContact O-N 2.88Å |
| 270 | N | 42.6 | Very low | 42 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -62.3 | 101.4 | 159.5 | -65.6 | -66.1 | 0 | 0 | 0 | 104.8 | Y268 | Y268-N270 PolarHBondContact O-N 2.97Š|
| 271 | G | 34.8 | Very low | 42.4 | Very low | 36 Ų | 36 | 137.6 Ų | 137.6 | 37% | 0.371 | 74% | 0.737 | S | S | . | * | | | trans | -54 | 153.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q269 F273 D274 | Q269-G271 VanDerWaalsContact C-N 3.25Å; Q269-G271 PolarHBondContact O-N 2.88Å; G271-F273 PolarHBondContact O-N 2.9Å; G271-D274 PolarHBondContact O-N 2.62Å |
| 272 | P | 51.2 | Low | 42.6 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -2.5 | -171 | 23.8 | -33.2 | 0 | 0 | 0 | 114.8 | | |
| 273 | F | 45.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 140 Ų | 140 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.2 | -174 | -70.8 | -76.9 | 0 | 0 | 0 | 115.7 | G271 | G271-F273 PolarHBondContact O-N 2.9Š|
| 274 | D | 44 | Very low | 43.1 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -96.9 | -4.3 | -175.1 | -82.7 | -28.5 | 0 | 0 | 0 | 115.5 | G271 W276 R277 | G271-D274 PolarHBondContact O-N 2.62Å; D274-W276 VanDerWaalsContact C-N 3.29Å; D274-W276 PolarHBondContact O-N 2.71Å; D274-R277 PolarHBondContact O-N 2.78Å; D274-R277 VanDerWaalsContact O-N 3.16Å |
| 275 | Q | 49.4 | Very low | 43.4 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -66.1 | -27.9 | -179.5 | -77.8 | -176.3 | -15 | 0 | 0 | 113.7 | R277 | Q275-R277 VanDerWaalsContact C-N 3.26Å; Q275-R277 PolarHBondContact O-N 2.97Å |
| 276 | W | 50.2 | Low | 43.6 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -73.9 | -18.7 | 177.6 | -59.7 | 92.7 | 0 | 0 | 0 | 113.1 | D274 | D274-W276 VanDerWaalsContact C-N 3.29Å; D274-W276 PolarHBondContact O-N 2.71Å |
| 277 | R | 46.8 | Very low | 43.9 | Very low | 212 Ų | 212 | 150 Ų | 150 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -102.4 | 2.1 | -171 | -76.3 | -173 | 176.3 | -105.3 | 0.4 | 114.8 | D274 Q275 | D274-R277 PolarHBondContact O-N 2.78Å; D274-R277 VanDerWaalsContact O-N 3.16Å; Q275-R277 VanDerWaalsContact C-N 3.26Å; Q275-R277 PolarHBondContact O-N 2.97Å |
| 278 | R | 43.8 | Very low | 44 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -137.9 | 117.9 | 174 | -68.7 | -172.1 | 171.2 | -166 | -1.7 | 111.4 | T280 | R278-T280 PolarHBondContact O-N 3.33Š|
| 279 | P | 48.8 | Very low | 43.9 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | | | trans | -55.5 | 108.8 | 151.3 | -14.7 | 28.6 | 0 | 0 | 0 | 106.4 | N281 | P279-N281 PolarHBondContact O-N 2.76Å; P279-N281 VanDerWaalsContact O-N 3.07Å |
| 280 | T | 51.2 | Low | 43.9 | Very low | 123 Ų | 123 | 149 Ų | 149 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -58.2 | 116.1 | 174.2 | 45.8 | 0 | 0 | 0 | 0 | 108 | R278 | R278-T280 PolarHBondContact O-N 3.33Š|
| 281 | N | 45 | Very low | 43.8 | Very low | 141 Ų | 141 | 151 Ų | 151 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | 78.2 | 126.6 | 171.8 | -60.6 | -43.8 | 0 | 0 | 0 | 117.3 | P279 G283 | P279-N281 PolarHBondContact O-N 2.76Å; P279-N281 VanDerWaalsContact O-N 3.07Å; N281-G283 PolarHBondContact O-N 2.95Å |
| 282 | N | 41.9 | Very low | 44.1 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | | | trans | -59.5 | 36.1 | 151.1 | -70.3 | -42.5 | 0 | 0 | 0 | 112.4 | S284 | N282-S284 PolarHBondContact O-N 3.07Š|
| 283 | G | 38.6 | Very low | 43.6 | Very low | 45 Ų | 45 | 162.4 Ų | 162.4 | 46% | 0.464 | 78% | 0.777 | S | S | . | * | | | trans | -85.2 | 111.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107 | N281 L285 | N281-G283 PolarHBondContact O-N 2.95Å; G283-L285 PolarHBondContact O-N 2.89Å |
| 284 | S | 35.7 | Very low | 43.3 | Very low | 101 Ų | 101 | 160 Ų | 160 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -57.2 | 71.7 | 159.1 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | N282 R286 | N282-S284 PolarHBondContact O-N 3.07Å; S284-R286 PolarHBondContact O-N 2.85Å |
| 285 | L | 42.9 | Very low | 43.3 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -80.3 | 63.9 | 155.3 | -76.4 | 156.2 | 0 | 0 | 0 | 105.8 | G283 R287 | G283-L285 PolarHBondContact O-N 2.89Å; L285-R287 PolarHBondContact O-N 2.97Å |
| 286 | R | 44 | Very low | 43.1 | Very low | 224 Ų | 224 | 164 Ų | 164 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -52.4 | 88.4 | 134.3 | -72.7 | -176.2 | 170.2 | -151.7 | -3 | 103.8 | S284 S288 | S284-R286 PolarHBondContact O-N 2.85Å; R286-S288 VanDerWaalsContact C-N 3.29Å; R286-S288 PolarHBondContact O-N 2.87Å |
| 287 | R | 45 | Very low | 42.5 | Very low | 210 Ų | 210 | 158.5 Ų | 158.5 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -49.5 | 109.3 | 165.8 | -79.6 | -177.7 | -92.3 | -99.3 | 1.8 | 103 | L285 H289 | L285-R287 PolarHBondContact O-N 2.97Å; R287-H289 PolarHBondContact O-N 3.14Å |
| 288 | S | 40.5 | Very low | 42.6 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | -50 | 121.2 | 172.3 | 49.7 | 0 | 0 | 0 | 0 | 105.1 | R286 Q290 | R286-S288 VanDerWaalsContact C-N 3.29Å; R286-S288 PolarHBondContact O-N 2.87Å; S288-Q290 PolarHBondContact O-N 2.94Å |
| 289 | H | 39.2 | Very low | 42.6 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -68.2 | 55.2 | 177.8 | -101 | -53.6 | 0 | 0 | 0 | 109.6 | R287 | R287-H289 PolarHBondContact O-N 3.14Š|
| 290 | Q | 40.4 | Very low | 42.4 | Very low | 161 Ų | 161 | 152 Ų | 152 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -154.3 | 60 | 179.4 | -71 | -166.4 | -15.1 | 0 | 0 | 109.8 | S288 | S288-Q290 PolarHBondContact O-N 2.94Š|
| 291 | Q | 40.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -126.5 | 102.8 | 147.2 | -72.8 | -158.2 | -33.3 | 0 | 0 | 107 | F293 | Q291-F293 PolarHBondContact O-N 2.74Š|
| 292 | H | 41.3 | Very low | 42.2 | Very low | 171 Ų | 171 | 156.5 Ų | 156.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -41.9 | 129.5 | 168.6 | -68.8 | -94.2 | 0 | 0 | 0 | 108.6 | V294 | H292-V294 VanDerWaalsContact C-N 3.26Å; H292-V294 PolarHBondContact O-N 3.23Å |
| 293 | F | 40.9 | Very low | 42.4 | Very low | 209 Ų | 209 | 158 Ų | 158 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -53.7 | 93.7 | 169.3 | -77.8 | -95 | 0 | 0 | 0 | 108.4 | Q291 P295 | Q291-F293 PolarHBondContact O-N 2.74Å; F293-P295 VanDerWaalsContact O-CD 3.29Å; F293-P295 WeakPolarHBondContact O-CD 3.21Å |
| 294 | V | 38.9 | Very low | 42.6 | Very low | 126 Ų | 126 | 164.3 Ų | 164.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -77.8 | 113.1 | 159.4 | -178.6 | 0 | 0 | 0 | 0 | 104.3 | H292 R296 | H292-V294 VanDerWaalsContact C-N 3.26Å; H292-V294 PolarHBondContact O-N 3.23Å; V294-R296 PolarHBondContact O-N 3.16Å |
| 295 | P | 45 | Very low | 43.1 | Very low | 113 Ų | 113 | 166.6 Ų | 166.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -55.7 | 118.2 | 179.8 | 19.9 | -29.4 | 0 | 0 | 0 | 108.3 | F293 N297 | F293-P295 VanDerWaalsContact O-CD 3.29Å; F293-P295 WeakPolarHBondContact O-CD 3.21Å; P295-N297 PolarHBondContact O-N 3.01Å |
| 296 | R | 44.5 | Very low | 42.7 | Very low | 238 Ų | 238 | 161.2 Ų | 161.2 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | | | trans | -56.2 | 111.9 | 171.1 | -107.8 | 177.7 | 175.3 | 142.5 | -2.2 | 106.8 | V294 T298 | V294-R296 PolarHBondContact O-N 3.16Å; R296-T298 PolarHBondContact O-N 2.76Å |
| 297 | N | 38.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | trans | -48.3 | 111.4 | 177.5 | -166.1 | -27.5 | 0 | 0 | 0 | 109.1 | P295 N299 | P295-N297 PolarHBondContact O-N 3.01Å; N297-N299 PolarHBondContact O-N 2.73Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.07Å; N297-N299 PolarHBondContact OD1-N 2.74Å; N297-N299 PolarHBondContact OD1-ND2 2.79Å |
| 298 | T | 48.5 | Very low | 42.6 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -73.1 | 3 | -174.4 | 42.7 | 0 | 0 | 0 | 0 | 113.3 | R296 | R296-T298 PolarHBondContact O-N 2.76Š|
| 299 | N | 42.7 | Very low | 42.8 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -93.3 | 7.5 | -172.5 | -68.8 | -34.5 | 0 | 0 | 0 | 115.7 | N297 | N297-N299 PolarHBondContact O-N 2.73Å; N297-N299 VanDerWaalsContact O-N 3.12Å; N297-N299 WeakPolarHBondContact OD1-CB 3.07Å; N297-N299 PolarHBondContact OD1-N 2.74Å; N297-N299 PolarHBondContact OD1-ND2 2.79Å |
| 300 | Q | 45.5 | Very low | 42.9 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -85.7 | -3.9 | 178.4 | -76.6 | -169.2 | -23.7 | 0 | 0 | 115.4 | H302 | Q300-H302 PolarHBondContact O-N 2.67Š|
| 301 | F | 44.9 | Very low | 43.2 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -79.8 | 70.1 | 161.7 | -61.9 | -71.5 | 0 | 0 | 0 | 108.6 | R303 | F301-R303 PolarHBondContact O-N 2.83Š|
| 302 | H | 47.5 | Very low | 43.3 | Very low | 165 Ų | 165 | 144 Ų | 144 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -55.8 | 106.7 | 163.8 | -76.8 | -71.1 | 0 | 0 | 0 | 107.2 | Q300 Y304 | Q300-H302 PolarHBondContact O-N 2.67Å; H302-Y304 PolarHBondContact O-N 2.64Å |
| 303 | R | 46.2 | Very low | 43.3 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | -47.8 | 108.5 | 162.3 | -64.7 | 174.5 | 178.2 | -117.8 | 0.7 | 106.6 | F301 N305 | F301-R303 PolarHBondContact O-N 2.83Å; R303-N305 PolarHBondContact O-N 2.89Å |
| 304 | Y | 43.1 | Very low | 43.6 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | | | trans | -71 | 86.2 | 170.7 | -165.3 | -97.9 | 0 | 0 | 0 | 107.2 | H302 G306 T308 | H302-Y304 PolarHBondContact O-N 2.64Å; Y304-G306 WeakPolarHBondContact CD1-O 3.13Å; Y304-G306 WeakPolarHBondContact CE1-O 3.21Å; Y304-G306 PolarHBondContact O-N 2.7Å; Y304-T308 WeakPolarHBondContact OH-CB 3.49Å; Y304-T308 PolarHBondContact OH-OG1 3.21Å |
| 305 | N | 44.4 | Very low | 44 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -82.5 | 84.3 | 170.5 | -71.4 | -24.7 | 0 | 0 | 0 | 107.4 | R303 | R303-N305 PolarHBondContact O-N 2.89Š|
| 306 | G | 34.4 | Very low | 44 | Very low | 30 Ų | 30 | 145.4 Ų | 145.4 | 31% | 0.309 | 74% | 0.735 | S | S | . | * | | | trans | -175.4 | 121.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y304 T308 | Y304-G306 WeakPolarHBondContact CD1-O 3.13Å; Y304-G306 WeakPolarHBondContact CE1-O 3.21Å; Y304-G306 PolarHBondContact O-N 2.7Å; G306-T308 PolarHBondContact O-N 2.82Å |
| 307 | P | 47.4 | Very low | 44 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | | | trans | -75.7 | 72.2 | 167.3 | 32.6 | -31.3 | 0 | 0 | 0 | 108.1 | T309 | P307-T309 PolarHBondContact O-N 2.88Å; P307-T309 VanDerWaalsContact O-N 3.12Å |
| 308 | T | 41 | Very low | 44.1 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 47% | 0.472 | 72% | 0.723 | S | S | . | * | | | trans | -79.6 | 105 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 107.6 | Y304 G306 H310 | Y304-T308 WeakPolarHBondContact OH-CB 3.49Å; Y304-T308 PolarHBondContact OH-OG1 3.21Å; G306-T308 PolarHBondContact O-N 2.82Å; T308-H310 PolarHBondContact O-N 2.8Å |
| 309 | T | 44.5 | Very low | 43.9 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | -32.2 | 103.5 | 166 | 41 | 0 | 0 | 0 | 0 | 111.5 | P307 | P307-T309 PolarHBondContact O-N 2.88Å; P307-T309 VanDerWaalsContact O-N 3.12Å |
| 310 | H | 40.4 | Very low | 43.9 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | trans | -62.6 | 138 | 164.7 | -69.7 | -65.2 | 0 | 0 | 0 | 108.2 | T308 G312 | T308-H310 PolarHBondContact O-N 2.8Å; H310-G312 PolarHBondContact O-N 3.1Å |
| 311 | P | 47.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -55.5 | 119.2 | 179.2 | 20.9 | -30.9 | 0 | 0 | 0 | 109.2 | R313 | P311-R313 PolarHBondContact O-N 2.7Š|
| 312 | G | 42.1 | Very low | 43.6 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | | | trans | -53.9 | 112.4 | -179 | 0 | 0 | 0 | 0 | 0 | 109.7 | H310 | H310-G312 PolarHBondContact O-N 3.1Š|
| 313 | R | 40.7 | Very low | 43.1 | Very low | 232 Ų | 232 | 147.6 Ų | 147.6 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | | | trans | -65.2 | 125.8 | 172.8 | -156.3 | 173.9 | -165.6 | -113.9 | 3.1 | 106.4 | P311 H315 | P311-R313 PolarHBondContact O-N 2.7Å; R313-H315 PolarHBondContact O-N 3.02Å |
| 314 | P | 47.6 | Very low | 42.9 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | trans | -57.9 | 113.3 | -175.8 | 20.1 | -30.5 | 0 | 0 | 0 | 109 | Q316 | P314-Q316 PolarHBondContact O-N 2.92Š|
| 315 | H | 47 | Very low | 42.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -66.9 | 91.7 | 171 | -137.6 | -86.6 | 0 | 0 | 0 | 105.7 | R313 N317 | R313-H315 PolarHBondContact O-N 3.02Å; H315-N317 PolarHBondContact ND1-OD1 3.34Å; H315-N317 PolarHBondContact O-N 3.3Å |
| 316 | Q | 45.5 | Very low | 42.5 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | trans | -67.6 | 76.5 | 170.3 | -76.4 | -87.9 | -16.8 | 0 | 0 | 107.5 | P314 N318 | P314-Q316 PolarHBondContact O-N 2.92Å; Q316-N318 PolarHBondContact O-N 2.85Å; Q316-N318 PolarHBondContact OE1-ND2 3.03Å |
| 317 | N | 43.1 | Very low | 42.8 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -68.9 | 79.7 | 163.3 | -83 | 0.4 | 0 | 0 | 0 | 107.5 | H315 | H315-N317 PolarHBondContact ND1-OD1 3.34Å; H315-N317 PolarHBondContact O-N 3.3Å |
| 318 | N | 42.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | | | trans | -137.4 | 33 | 177.8 | -90.3 | -33.7 | 0 | 0 | 0 | 113.1 | Q316 | Q316-N318 PolarHBondContact O-N 2.85Å; Q316-N318 PolarHBondContact OE1-ND2 3.03Å |
| 319 | F | 43.1 | Very low | 42.4 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | | | trans | -147 | 60.9 | 159 | -78.2 | -73.3 | 0 | 0 | 0 | 111.7 | R321 | F319-R321 VanDerWaalsContact C-N 3.34Å; F319-R321 PolarHBondContact O-N 2.72Å |
| 320 | S | 42.7 | Very low | 42 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -85.8 | 80.6 | 151.1 | -76.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 321 | R | 42.8 | Very low | 42 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | | | trans | -106.6 | 112.9 | 155.5 | -71.7 | -170.9 | -170.6 | -155.3 | 2.6 | 106.5 | F319 | F319-R321 VanDerWaalsContact C-N 3.34Å; F319-R321 PolarHBondContact O-N 2.72Å |
| 322 | N | 40.9 | Very low | 41.6 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 86.9 | 54.6 | 160.2 | -47.3 | -22.8 | 0 | 0 | 0 | 118.4 | | |
| 323 | R | 38.4 | Very low | 41.5 | Very low | 249 Ų | 249 | 141.2 Ų | 141.2 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | | | trans | -128.5 | 116.9 | 139.4 | -75.9 | -167 | -178.4 | -159.5 | 0.3 | 110 | | |
| 324 | V | 41.9 | Very low | 41.6 | Very low | 129 Ų | 129 | 136 Ų | 136 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -48.3 | 144.1 | 179.2 | 174.6 | 0 | 0 | 0 | 0 | 111 | G326 | V324-G326 PolarHBondContact O-N 2.86Š|
| 325 | P | 43.3 | Very low | 41.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -55.7 | 111.3 | 175.4 | 20.8 | -32.2 | 0 | 0 | 0 | 110.8 | S327 | P325-S327 PolarHBondContact O-N 3.48Š|
| 326 | G | 35.5 | Very low | 40.4 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 121.4 | 166 | 0 | 0 | 0 | 0 | 0 | 108.6 | V324 G328 | V324-G326 PolarHBondContact O-N 2.86Å; G326-G328 PolarHBondContact O-N 3.44Å |
| 327 | S | 40 | Very low | 39.8 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -47.8 | 131.2 | -179.7 | -156.4 | 0 | 0 | 0 | 0 | 111.8 | P325 M329 | P325-S327 PolarHBondContact O-N 3.48Å; S327-M329 PolarHBondContact O-N 2.94Å |
| 328 | G | 37.5 | Very low | 39.3 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -54.6 | 113.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G326 | G326-G328 PolarHBondContact O-N 3.44Š|
| 329 | M | 43.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | 109.3 | 163 | -71.9 | -94.2 | -156.6 | 0 | 0 | 105 | S327 | S327-M329 PolarHBondContact O-N 2.94Š|
| 330 | G | 36.6 | Very low | 38.7 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | -54.2 | 143.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S332 | G330-S332 PolarHBondContact O-N 2.85Š|
| 331 | D | 39.6 | Very low | 38.6 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | | | trans | -51.4 | 102.9 | 158.3 | -65 | -52.1 | 0 | 0 | 0 | 108.7 | | |
| 332 | S | 38.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -78 | 127.6 | 161.8 | -67.6 | 0 | 0 | 0 | 0 | 107.6 | G330 | G330-S332 PolarHBondContact O-N 2.85Š|
| 333 | P | 41.9 | Very low | 38.1 | Very low | 104 Ų | 104 | 128 Ų | 128 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -68.1 | 151.3 | -173.5 | 27.5 | -33.9 | 0 | 0 | 0 | 111.7 | V335 | P333-V335 PolarHBondContact O-N 2.81Å; P333-V335 VanDerWaalsContact O-N 3.14Å |
| 334 | P | 41.7 | Very low | 38 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -70.2 | 108.8 | -178.9 | 28 | -33 | 0 | 0 | 0 | 110.5 | Q336 | P334-Q336 PolarHBondContact O-N 3.41Š|
| 335 | V | 38.9 | Very low | 37.8 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -79.8 | 100.6 | 165.1 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | P333 | P333-V335 PolarHBondContact O-N 2.81Å; P333-V335 VanDerWaalsContact O-N 3.14Å |
| 336 | Q | 30.7 | Very low | 37.3 | Very low | 174 Ų | 174 | 124.3 Ų | 124.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -69 | 162 | 163.7 | -74.2 | -178.6 | -48.2 | 0 | 0 | 111.2 | P334 | P334-Q336 PolarHBondContact O-N 3.41Š|
| 337 | A | 32.7 | Very low | 37.5 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | 81.4 | 137.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 338 | N | 32.5 | Very low | 37.3 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | cis | -171.8 | 172.9 | -11.9 | -114 | -42.8 | 0 | 0 | 0 | 103.6 | | |
| 339 | D | 37.6 | Very low | 36.9 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 77.1 | 86.8 | 157.5 | -50 | -34.4 | 0 | 0 | 0 | 118.6 | | |
| 340 | S | 35.4 | Very low | 36.7 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | | 169.8 | 117.2 | 102.2 | -97.4 | 0 | 0 | 0 | 0 | 111.4 | N342 | S340-N342 PolarHBondContact O-N 3.21Š|
| 341 | P | 40 | Very low | 36.3 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | trans | -83 | 95.7 | 170.6 | 32.4 | -27.1 | 0 | 0 | 0 | 108.5 | | |
| 342 | N | 33.9 | Very low | 36.4 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -88.9 | 132.6 | 166.3 | -110.2 | -22.3 | 0 | 0 | 0 | 110.2 | S340 | S340-N342 PolarHBondContact O-N 3.21Š|
| 343 | P | 39.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | -77.6 | 147.9 | -160.9 | 30.6 | -33.9 | 0 | 0 | 0 | 112.8 | I345 | P343-I345 PolarHBondContact O-N 2.91Š|
| 344 | V | 36.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | -55.3 | 101.1 | 168.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | N346 | V344-N346 PolarHBondContact O-N 3.42Š|
| 345 | I | 39 | Very low | 35.7 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 95 | 161.8 | 13.3 | 172.8 | 0 | 0 | 0 | 107.3 | P343 E347 | P343-I345 PolarHBondContact O-N 2.91Å; I345-E347 PolarHBondContact O-N 2.85Å |
| 346 | N | 31.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 100.3 | 161.6 | -92.7 | -9.1 | 0 | 0 | 0 | 107.9 | V344 | V344-N346 PolarHBondContact O-N 3.42Š|
| 347 | E | 40.1 | Very low | 35.6 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -123.9 | 101.9 | 169.3 | -114.3 | 161.5 | 177.8 | 0 | 0 | 111.2 | I345 | I345-E347 PolarHBondContact O-N 2.85Š|
| 348 | Y | 35.6 | Very low | 35.8 | Very low | 216 Ų | 216 | 143.5 Ų | 143.5 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | 58.3 | 91 | 148 | -82.7 | -96.6 | 0 | 0 | 0 | 118.7 | P350 | Y348-P350 VanDerWaalsContact O-CD 3.28Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å |
| 349 | N | 29.8 | Very low | 36.1 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 110.3 | 155.4 | -176.5 | 9 | 0 | 0 | 0 | 109.7 | Q351 | N349-Q351 PolarHBondContact O-N 3.26Š|
| 350 | P | 37.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -76.7 | 104.7 | 160.9 | 29.1 | -29.5 | 0 | 0 | 0 | 109.3 | Y348 | Y348-P350 VanDerWaalsContact O-CD 3.28Å; Y348-P350 WeakPolarHBondContact O-CD 3.29Å |
| 351 | Q | 29.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -96.1 | 169.5 | 167.9 | -128.6 | -150.9 | -28.8 | 0 | 0 | 110 | N349 | N349-Q351 PolarHBondContact O-N 3.26Š|
| 352 | P | 41.2 | Very low | 36.2 | Very low | 96 Ų | 96 | 148 Ų | 148 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | | | | -114.3 | 155.6 | -96.9 | 37.3 | -24.6 | 0 | 0 | 0 | 113.3 | S354 | P352-S354 PolarHBondContact O-N 3.41Š|
| 353 | D | 37.7 | Very low | 36.7 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | trans | -67.7 | 120.5 | 170.2 | -85.7 | -38.1 | 0 | 0 | 0 | 111.1 | | |
| 354 | S | 31.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -102.5 | 110.2 | -179.2 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | P352 | P352-S354 PolarHBondContact O-N 3.41Š|
| 355 | V | 38.4 | Very low | 36.6 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -146.5 | 88.2 | 163.4 | -156.1 | 0 | 0 | 0 | 0 | 105.3 | | |
| 356 | R | 31.8 | Very low | 36.5 | Very low | 212 Ų | 212 | 153.1 Ų | 153.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | | 59.7 | 72.4 | 73.6 | -148.4 | -179.7 | -164.1 | 169.9 | 6.3 | 112.9 | D358 | R356-D358 IonicContact NE-OD2 3.76Š|
| 357 | E | 36 | Very low | 36.8 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -117.1 | 92.6 | 149.2 | -92.2 | -171.3 | 157.4 | 0 | 0 | 109.5 | S359 | E357-S359 VanDerWaalsContact C-N 3.32Å; E357-S359 PolarHBondContact O-N 2.86Å; E357-S359 VanDerWaalsContact O-N 3.13Å |
| 358 | D | 36.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | -74.6 | 73.7 | 169.2 | -81.1 | -53 | 0 | 0 | 0 | 110.2 | R356 K360 | R356-D358 IonicContact NE-OD2 3.76Å; D358-K360 PolarHBondContact O-N 2.86Å |
| 359 | S | 39.5 | Very low | 36.8 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -98.2 | 83.8 | 163.4 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | E357 K361 | E357-S359 VanDerWaalsContact C-N 3.32Å; E357-S359 PolarHBondContact O-N 2.86Å; E357-S359 VanDerWaalsContact O-N 3.13Å; S359-K361 PolarHBondContact O-N 3.46Å |
| 360 | K | 38.1 | Very low | 37.3 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -55.8 | 92 | 171.2 | -68.5 | -179.6 | 177.9 | 178.8 | 0 | 110.9 | D358 | D358-K360 PolarHBondContact O-N 2.86Š|
| 361 | K | 37.1 | Very low | 37.3 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -85.4 | 127.2 | 153.3 | -92.5 | 174.6 | 177.7 | 171.8 | 0 | 107.9 | S359 Q363 | S359-K361 PolarHBondContact O-N 3.46Å; K361-Q363 VanDerWaalsContact C-N 3.25Å; K361-Q363 PolarHBondContact O-N 2.97Å |
| 362 | P | 40.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -70 | 86.9 | 175.1 | 28.2 | -31.9 | 0 | 0 | 0 | 108.6 | T364 | P362-T364 PolarHBondContact O-N 2.89Å; P362-T364 VanDerWaalsContact O-N 3.08Å |
| 363 | Q | 42.5 | Very low | 37.3 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -71.8 | 103.9 | 169.1 | -164.7 | 174.1 | -2.9 | 0 | 0 | 106.9 | K361 S365 | K361-Q363 VanDerWaalsContact C-N 3.25Å; K361-Q363 PolarHBondContact O-N 2.97Å; Q363-S365 PolarHBondContact O-N 2.81Å |
| 364 | T | 39.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -56.6 | 101 | 175.9 | -49.7 | 0 | 0 | 0 | 0 | 109.1 | P362 W366 | P362-T364 PolarHBondContact O-N 2.89Å; P362-T364 VanDerWaalsContact O-N 3.08Å; T364-W366 PolarHBondContact O-N 3.39Å |
| 365 | S | 35.7 | Very low | 37.6 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 112.1 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 110.1 | Q363 | Q363-S365 PolarHBondContact O-N 2.81Š|
| 366 | W | 35.5 | Very low | 38 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -116.7 | 10.3 | 158 | -72.3 | 98.8 | 0 | 0 | 0 | 112.4 | T364 | T364-W366 PolarHBondContact O-N 3.39Š|
| 367 | A | 38.4 | Very low | 38.6 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -142.3 | 56.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 368 | T | 37.2 | Very low | 38.9 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -137.7 | 70 | 163 | -46.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 369 | V | 39.7 | Very low | 39.5 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -133.1 | 127.6 | 163.2 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 370 | A | 40 | Very low | 39.7 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | 78.8 | 74.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G372 | A370-G372 PolarHBondContact O-N 2.77Š|
| 371 | V | 36.5 | Very low | 40.3 | Very low | 147 Ų | 147 | 144 Ų | 144 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | -66.1 | 78.3 | 140.7 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 372 | G | 34.3 | Very low | 41 | Very low | 55 Ų | 55 | 139.9 Ų | 139.9 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | | | trans | -103.1 | 105.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | A370 Q374 | A370-G372 PolarHBondContact O-N 2.77Å; G372-Q374 VanDerWaalsContact C-N 3.28Å; G372-Q374 PolarHBondContact O-N 2.89Å |
| 373 | V | 36.7 | Very low | 41.9 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | | | trans | -66 | 88.1 | 172.6 | -142 | 0 | 0 | 0 | 0 | 107.4 | | |
| 374 | Q | 40.2 | Very low | 42.8 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -135.4 | 117.6 | 172 | -77.3 | -165 | -8.8 | 0 | 0 | 110 | G372 | G372-Q374 VanDerWaalsContact C-N 3.28Å; G372-Q374 PolarHBondContact O-N 2.89Å |
| 375 | C | 35.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -12.5 | 134.2 | 173 | -67.9 | 0 | 0 | 0 | 0 | 116.4 | Q377 | C375-Q377 PolarHBondContact O-N 3.08Š|
| 376 | E | 45.6 | Very low | 46.4 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -34 | 59.2 | 156 | -64.8 | -91.4 | 156.4 | 0 | 0 | 115.1 | | |
| 377 | Q | 44.6 | Very low | 48.4 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -92.5 | 91.8 | 154.5 | -83.9 | -174.5 | 9.1 | 0 | 0 | 104.9 | C375 P379 | C375-Q377 PolarHBondContact O-N 3.08Å; Q377-P379 WeakPolarHBondContact O-CD 3.45Å |
| 378 | K | 43.4 | Very low | 50.5 | Low | 187 Ų | 187 | 133.3 Ų | 133.3 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | | | trans | -46.2 | 112 | 162.6 | -103.5 | 174.3 | 177.8 | 166.6 | 0 | 106.2 | Y380 | K378-Y380 PolarHBondContact O-N 3.45Š|
| 379 | P | 47.7 | Very low | 52.7 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | | | trans | -56.6 | 121 | 174.6 | 21.5 | -29.6 | 0 | 0 | 0 | 105.1 | Q377 T381 | Q377-P379 WeakPolarHBondContact O-CD 3.45Å; P379-T381 PolarHBondContact O-N 3.04Å |
| 380 | Y | 44.3 | Very low | 55 | Low | 208 Ų | 208 | 131.9 Ų | 131.9 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | | | trans | -59.8 | 93.5 | 171.8 | -175 | -94.3 | 0 | 0 | 0 | 105.3 | K378 P382 | K378-Y380 PolarHBondContact O-N 3.45Å; Y380-P382 WeakPolarHBondContact O-CD 2.91Å |
| 381 | T | 51.8 | Low | 57.4 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | | | trans | -61.8 | 111.7 | 176.2 | 44.1 | 0 | 0 | 0 | 0 | 104.4 | P379 K383 | P379-T381 PolarHBondContact O-N 3.04Å; T381-K383 PolarHBondContact O-N 2.85Å |
| 382 | P | 51.3 | Low | 59.8 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | | | trans | -52.7 | 122.6 | 173.9 | 21.5 | -29.6 | 0 | 0 | 0 | 105.2 | Y380 D384 | Y380-P382 WeakPolarHBondContact O-CD 2.91Å; P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact O-CA 3.43Å; P382-D384 PolarHBondContact O-N 2.88Å |
| 383 | K | 58.4 | Low | 62.5 | Low | 174 Ų | 174 | 130.8 Ų | 130.8 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | | | trans | -54.7 | 100.8 | -174.6 | -152.5 | 176.2 | -172.1 | 179.2 | 0 | 106.2 | T381 N385 | T381-K383 PolarHBondContact O-N 2.85Å; K383-N385 PolarHBondContact O-N 3.02Å; K383-N385 PolarHBondContact O-OD1 2.73Å |
| 384 | D | 62.1 | Low | 65.2 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | | | trans | -79.4 | 80.8 | -168.8 | -165.6 | -2.5 | 0 | 0 | 0 | 106.6 | P382 S386 R387 | P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 WeakPolarHBondContact O-CA 3.43Å; P382-D384 PolarHBondContact O-N 2.88Å; D384-S386 PolarHBondContact O-N 2.86Å; D384-S386 WeakPolarHBondContact OD1-CB 3.29Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.94Å; D384-S386 PolarHBondContact OD2-OG 2.87Å; D384-R387 PolarHBondContact O-N 3.35Å |
| 385 | N | 72.2 | Confident | 67.6 | Low | 75 Ų | 75 | 124.9 Ų | 124.9 | 40% | 0.401 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -2.1 | 178.7 | -61.8 | -26.8 | 0 | 0 | 0 | 110.9 | K383 R387 D388 Q389 | K383-N385 PolarHBondContact O-N 3.02Å; K383-N385 PolarHBondContact O-OD1 2.73Å; N385-R387 PolarHBondContact O-N 3.45Å; N385-D388 PolarHBondContact O-N 3.2Å; N385-Q389 WeakPolarHBondContact O-CB 3.47Å; N385-Q389 VanDerWaalsContact O-CG 3.26Å; N385-Q389 WeakPolarHBondContact O-CG 3.45Å; N385-Q389 PolarHBondContact O-N 3.21Å |
| 386 | S | 78.4 | Confident | 70.1 | Confident | 60 Ų | 60 | 122.2 Ų | 122.2 | 42% | 0.42 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -57.6 | -36.4 | 174.5 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | D384 L390 | D384-S386 PolarHBondContact O-N 2.86Å; D384-S386 WeakPolarHBondContact OD1-CB 3.29Å; D384-S386 PolarHBondContact OD1-N 2.77Å; D384-S386 PolarHBondContact OD1-OG 2.94Å; D384-S386 PolarHBondContact OD2-OG 2.87Å; S386-L390 VanDerWaalsContact O-CB 3.23Å; S386-L390 WeakPolarHBondContact O-CB 3.26Å; S386-L390 PolarHBondContact O-N 3.32Å |
| 387 | R | 78.2 | Confident | 72 | Confident | 185 Ų | 185 | 116.3 Ų | 116.3 | 70% | 0.698 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -48.2 | 175.7 | -175.7 | -179.8 | 164.9 | 104.9 | 0.2 | 111.2 | D384 N385 Q389 L390 V391 | D384-R387 PolarHBondContact O-N 3.35Å; N385-R387 PolarHBondContact O-N 3.45Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 2.87Å; R387-L390 PolarHBondContact O-N 2.98Å; R387-V391 VanDerWaalsContact O-CG2 3.3Å; R387-V391 WeakPolarHBondContact O-CG2 3.44Å; R387-V391 PolarHBondContact O-N 3.36Å |
| 388 | D | 82.9 | Confident | 74 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67 | -36.3 | -179.5 | -65.6 | -21 | 0 | 0 | 0 | 111.7 | N385 S392 | N385-D388 PolarHBondContact O-N 3.2Å; D388-S392 WeakPolarHBondContact O-CB 3.13Å; D388-S392 PolarHBondContact O-N 3.03Å; D388-S392 PolarHBondContact O-OG 3Å |
| 389 | Q | 83 | Confident | 75.9 | Confident | 136 Ų | 136 | 114.1 Ų | 114.1 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -42.9 | 172.8 | -73.2 | 178.2 | 18.4 | 0 | 0 | 111.8 | N385 R387 S392 F393 | N385-Q389 WeakPolarHBondContact O-CB 3.47Å; N385-Q389 VanDerWaalsContact O-CG 3.26Å; N385-Q389 WeakPolarHBondContact O-CG 3.45Å; N385-Q389 PolarHBondContact O-N 3.21Å; R387-Q389 VanDerWaalsContact C-N 3.33Å; R387-Q389 PolarHBondContact O-N 2.87Å; Q389-S392 PolarHBondContact O-N 3.01Å; Q389-F393 WeakPolarHBondContact O-CB 3.37Å; Q389-F393 PolarHBondContact O-N 3Å |
| 390 | L | 87.7 | Confident | 77.4 | Confident | 102 Ų | 102 | 115.5 Ų | 115.5 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -45 | 176.9 | 179.8 | 63.1 | 0 | 0 | 0 | 111.2 | S386 R387 S392 F393 L394 | S386-L390 VanDerWaalsContact O-CB 3.23Å; S386-L390 WeakPolarHBondContact O-CB 3.26Å; S386-L390 PolarHBondContact O-N 3.32Å; R387-L390 PolarHBondContact O-N 2.98Å; L390-S392 VanDerWaalsContact C-N 3.34Å; L390-S392 PolarHBondContact O-N 3.1Å; L390-F393 PolarHBondContact O-N 3.04Å; L390-L394 HydrophobicContact CD1-CD1 4.26Å; L390-L394 HydrophobicContact CD1-CG 4.35Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.21Å; L390-L394 PolarHBondContact O-N 3.2Å |
| 391 | V | 89.3 | Confident | 78.9 | Confident | 68 Ų | 68 | 113.3 Ų | 113.3 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | R387 F393 L394 M395 | R387-V391 VanDerWaalsContact O-CG2 3.3Å; R387-V391 WeakPolarHBondContact O-CG2 3.44Å; R387-V391 PolarHBondContact O-N 3.36Å; V391-F393 VanDerWaalsContact C-N 3.35Å; V391-F393 PolarHBondContact O-N 3.21Å; V391-L394 PolarHBondContact O-N 3.23Å; V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 WeakPolarHBondContact O-CB 3.39Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.37Å |
| 392 | S | 88.3 | Confident | 79.7 | Confident | 81 Ų | 81 | 112.4 Ų | 112.4 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -42.3 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | D388 Q389 L390 E396 | D388-S392 WeakPolarHBondContact O-CB 3.13Å; D388-S392 PolarHBondContact O-N 3.03Å; D388-S392 PolarHBondContact O-OG 3Å; Q389-S392 PolarHBondContact O-N 3.01Å; L390-S392 VanDerWaalsContact C-N 3.34Å; L390-S392 PolarHBondContact O-N 3.1Å; S392-E396 WeakPolarHBondContact O-CB 3.42Å; S392-E396 PolarHBondContact O-N 2.8Å; S392-E396 VanDerWaalsContact O-N 3.07Å |
| 393 | F | 90.3 | Very high | 80.1 | Confident | 119 Ų | 119 | 117.3 Ų | 117.3 | 52% | 0.522 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.7 | 174.7 | -97.8 | 0 | 0 | 0 | 111.9 | Q389 L390 V391 M395 E396 Q397 | Q389-F393 WeakPolarHBondContact O-CB 3.37Å; Q389-F393 PolarHBondContact O-N 3Å; L390-F393 PolarHBondContact O-N 3.04Å; V391-F393 VanDerWaalsContact C-N 3.35Å; V391-F393 PolarHBondContact O-N 3.21Å; F393-M395 PolarHBondContact O-N 3.05Å; F393-E396 PolarHBondContact O-N 3.17Å; F393-Q397 HydrophobicContact CD1-CG 4.28Å; F393-Q397 HydrophobicContact CE1-CG 3.82Å; F393-Q397 HydrophobicContact CE2-CG 4.19Å; F393-Q397 HydrophobicContact CZ-CG 3.77Å; F393-Q397 WeakPolarHBondContact O-CG 3.12Å; F393-Q397 PolarHBondContact O-N 2.94Å |
| 394 | L | 93.8 | Very high | 80 | Confident | 98 Ų | 98 | 117.7 Ų | 117.7 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 179.7 | -71.7 | 170.6 | 0 | 0 | 0 | 112 | L390 V391 E396 Q397 W398 | L390-L394 HydrophobicContact CD1-CD1 4.26Å; L390-L394 HydrophobicContact CD1-CG 4.35Å; L390-L394 HydrophobicContact CG-CD1 4.06Å; L390-L394 VanDerWaalsContact O-CG 3.31Å; L390-L394 WeakPolarHBondContact O-CG 3.21Å; L390-L394 PolarHBondContact O-N 3.2Å; V391-L394 PolarHBondContact O-N 3.23Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 2.9Å; L394-Q397 PolarHBondContact O-N 3.46Å; L394-W398 WeakPolarHBondContact O-CB 3.45Å; L394-W398 PolarHBondContact O-N 3.22Å |
| 395 | M | 90.4 | Very high | 79.6 | Confident | 108 Ų | 108 | 116.6 Ų | 116.6 | 53% | 0.532 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.4 | -78 | -67.4 | -161 | 0 | 0 | 112.2 | V391 F393 W398 R399 | V391-M395 HydrophobicContact CG1-CG 4.43Å; V391-M395 WeakPolarHBondContact O-CB 3.39Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.37Å; F393-M395 PolarHBondContact O-N 3.05Å; M395-W398 PolarHBondContact O-N 2.92Å; M395-R399 WeakPolarHBondContact O-CB 2.91Å; M395-R399 PolarHBondContact O-N 2.95Å |
| 396 | E | 88.7 | Confident | 78.3 | Confident | 63 Ų | 63 | 121.5 Ų | 121.5 | 29% | 0.294 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 176.6 | 179.5 | 60.6 | -163.8 | 0 | 0 | 112.1 | S392 F393 L394 W398 R399 R400 | S392-E396 WeakPolarHBondContact O-CB 3.42Å; S392-E396 PolarHBondContact O-N 2.8Å; S392-E396 VanDerWaalsContact O-N 3.07Å; F393-E396 PolarHBondContact O-N 3.17Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 2.9Å; E396-W398 VanDerWaalsContact C-N 3.35Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-CZ 3.99Å; E396-R399 IonicContact OE2-NH1 2.93Å; E396-R399 PolarHBondContact OE2-NH1 2.95Å; E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.18Å; E396-R400 PolarHBondContact O-N 3.3Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 IonicContact OE1-CZ 3.35Å; E396-R400 IonicContact OE1-NE 2.84Å; E396-R400 PolarHBondContact OE1-NE 3.45Å; E396-R400 IonicContact OE1-NH2 2.99Å; E396-R400 PolarHBondContact OE1-NH2 2.83Å |
| 397 | Q | 86.1 | Confident | 78.3 | Confident | 66 Ų | 66 | 124.6 Ų | 124.6 | 31% | 0.308 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | 174 | -64.9 | -48.5 | -49.9 | 0 | 0 | 111.8 | F393 L394 R400 F401 | F393-Q397 HydrophobicContact CD1-CG 4.28Å; F393-Q397 HydrophobicContact CE1-CG 3.82Å; F393-Q397 HydrophobicContact CE2-CG 4.19Å; F393-Q397 HydrophobicContact CZ-CG 3.77Å; F393-Q397 WeakPolarHBondContact O-CG 3.12Å; F393-Q397 PolarHBondContact O-N 2.94Å; L394-Q397 PolarHBondContact O-N 3.46Å; Q397-R400 PolarHBondContact O-N 3.21Å; Q397-F401 PolarHBondContact O-N 3.43Å |
| 398 | W | 85.8 | Confident | 78.3 | Confident | 170 Ų | 170 | 121.4 Ų | 121.4 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 177.4 | -171.1 | 72.5 | 0 | 0 | 0 | 111.5 | L394 M395 E396 R400 F401 D402 | L394-W398 WeakPolarHBondContact O-CB 3.45Å; L394-W398 PolarHBondContact O-N 3.22Å; M395-W398 PolarHBondContact O-N 2.92Å; E396-W398 VanDerWaalsContact C-N 3.35Å; W398-R400 VanDerWaalsContact C-N 3.25Å; W398-R400 PolarHBondContact O-N 3.4Å; W398-F401 WeakPolarHBondContact O-CB 3.22Å; W398-F401 PolarHBondContact O-N 3.29Å; W398-F401 VanDerWaalsContact O-N 3.1Å; W398-D402 PolarHBondContact O-N 3.14Å |
| 399 | R | 83.1 | Confident | 78 | Confident | 145 Ų | 145 | 122.7 Ų | 122.7 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.9 | -34.5 | 175.8 | -124.9 | -173.6 | -83.1 | 138.2 | -15.3 | 113.3 | M395 E396 R403 | M395-R399 WeakPolarHBondContact O-CB 2.91Å; M395-R399 PolarHBondContact O-N 2.95Å; E396-R399 PolarHBondContact O-N 3Å; E396-R399 IonicContact OE2-CZ 3.99Å; E396-R399 IonicContact OE2-NH1 2.93Å; E396-R399 PolarHBondContact OE2-NH1 2.95Å; R399-R403 PolarHBondContact O-N 3.03Å |
| 400 | R | 79.9 | Confident | 77.7 | Confident | 137 Ų | 137 | 121.9 Ų | 121.9 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75 | -32.8 | 176.9 | -72.1 | 173.2 | -175.1 | -161.6 | 1 | 113.1 | E396 Q397 W398 | E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.18Å; E396-R400 PolarHBondContact O-N 3.3Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 IonicContact OE1-CZ 3.35Å; E396-R400 IonicContact OE1-NE 2.84Å; E396-R400 PolarHBondContact OE1-NE 3.45Å; E396-R400 IonicContact OE1-NH2 2.99Å; E396-R400 PolarHBondContact OE1-NH2 2.83Å; Q397-R400 PolarHBondContact O-N 3.21Å; W398-R400 VanDerWaalsContact C-N 3.25Å; W398-R400 PolarHBondContact O-N 3.4Å |
| 401 | F | 75.1 | Confident | 77.1 | Confident | 161 Ų | 161 | 123.2 Ų | 123.2 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.2 | -42.1 | 173.3 | -103.2 | -81.3 | 0 | 0 | 0 | 110.9 | Q397 W398 R403 K404 | Q397-F401 PolarHBondContact O-N 3.43Å; W398-F401 WeakPolarHBondContact O-CB 3.22Å; W398-F401 PolarHBondContact O-N 3.29Å; W398-F401 VanDerWaalsContact O-N 3.1Å; F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 3.14Å; F401-K404 PolarHBondContact O-N 3.47Å; F401-K404 VanDerWaalsContact O-N 3.14Å |
| 402 | D | 69.2 | Low | 76.3 | Confident | 93 Ų | 93 | 126.9 Ų | 126.9 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.9 | -26.5 | -179.2 | -134.2 | 11 | 0 | 0 | 0 | 113 | W398 K404 S405 | W398-D402 PolarHBondContact O-N 3.14Å; D402-K404 VanDerWaalsContact C-N 3.34Å; D402-S405 PolarHBondContact O-OG 3.33Å |
| 403 | R | 58.8 | Low | 75.4 | Confident | 207 Ų | 207 | 130.1 Ų | 130.1 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -9.8 | 174.6 | -80 | -174.8 | 170.8 | -176.1 | -2.6 | 114.9 | R399 F401 | R399-R403 PolarHBondContact O-N 3.03Å; F401-R403 VanDerWaalsContact C-N 3.27Å; F401-R403 PolarHBondContact O-N 3.14Å |
| 404 | K | 57.2 | Low | 74.3 | Confident | 182 Ų | 182 | 131 Ų | 131 | 79% | 0.791 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.6 | 177.5 | -81.9 | 177.2 | 172 | -176.8 | 0 | 113.3 | F401 D402 | F401-K404 PolarHBondContact O-N 3.47Å; F401-K404 VanDerWaalsContact O-N 3.14Å; D402-K404 VanDerWaalsContact C-N 3.34Å |
| 405 | S | 52.9 | Low | 72.6 | Confident | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | | | trans | -98.4 | 6.4 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | D402 | D402-S405 PolarHBondContact O-OG 3.33Š|
| 406 | T | 44.5 | Very low | 71 | Confident | 178 Ų | 178 | 136.1 Ų | 136.1 | 100% | 1.092 | 62% | 0.622 | S | S | * | * | | | trans | -116.5 | 0 | 171.5 | -16.6 | 0 | 0 | 0 | 0 | 109.8 | | |