| 1 | M | 43.2 | Very low | 53.2 | Low | 235 Ų | 235 | 150.8 Ų | 150.8 | 100% | 1.158 | 85% | 0.851 | S | S | * | * | | | | 0 | 112 | 0 | -83 | 72 | 159.9 | 0 | 0 | 108.2 | | |
| 2 | D | 46 | Very low | 52.9 | Low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 149.7 | 175.5 | -54.9 | -103.4 | 0 | 0 | 0 | 111.4 | | |
| 3 | Q | 59 | Low | 53 | Low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 136.9 | 165.3 | -75.6 | -166.7 | -9.7 | 0 | 0 | 110 | | |
| 4 | P | 60.6 | Low | 53 | Low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.7 | -177.3 | 32 | -35 | 0 | 0 | 0 | 112.7 | S6 | P4-S6 PolarHBondContact O-N 2.93Š|
| 5 | A | 57.5 | Low | 52.6 | Low | 106 Ų | 106 | 143.9 Ų | 143.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | S7 | A5-S7 PolarHBondContact O-N 3.17Å; A5-S7 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 56.4 | Low | 52.6 | Low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -80.9 | 88.6 | 170.7 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | P4 C8 | P4-S6 PolarHBondContact O-N 2.93Å; S6-C8 PolarHBondContact O-N 2.9Å |
| 7 | S | 55.3 | Low | 52.7 | Low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | | | trans | 11.8 | 105.5 | 151.1 | -169.2 | 0 | 0 | 0 | 0 | 117.4 | A5 M9 | A5-S7 PolarHBondContact O-N 3.17Å; A5-S7 VanDerWaalsContact O-N 3.14Å; S7-M9 PolarHBondContact O-N 3.47Å |
| 8 | C | 48.1 | Very low | 53.1 | Low | 128 Ų | 128 | 140.6 Ų | 140.6 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | | | trans | -69.2 | 86.2 | 170.5 | -49.5 | 0 | 0 | 0 | 0 | 110.8 | S6 R10 | S6-C8 PolarHBondContact O-N 2.9Å; C8-R10 PolarHBondContact O-N 3.36Å |
| 9 | M | 56.5 | Low | 52.9 | Low | 159 Ų | 159 | 146 Ų | 146 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | | | trans | -70.6 | 95.8 | 176.2 | -74.2 | -143.8 | 70.9 | 0 | 0 | 112 | S7 S11 | S7-M9 PolarHBondContact O-N 3.47Å; M9-S11 PolarHBondContact O-N 3.14Å |
| 10 | R | 59.3 | Low | 52.5 | Low | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | | | trans | 0.8 | 94.4 | 150.8 | -63.7 | 170.3 | 173.5 | -94.1 | -1.1 | 115.9 | C8 | C8-R10 PolarHBondContact O-N 3.36Š|
| 11 | S | 43.2 | Very low | 52.4 | Low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | -80.7 | 112.1 | 155.4 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | M9 H13 | M9-S11 PolarHBondContact O-N 3.14Å; S11-H13 PolarHBondContact O-N 3.28Å |
| 12 | A | 49.5 | Very low | 52.8 | Low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -76 | 108.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 13 | H | 53.9 | Low | 53.1 | Low | 167 Ų | 167 | 141.7 Ų | 141.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -72.6 | 128 | 166.7 | -62.3 | -84.6 | 0 | 0 | 0 | 109 | S11 S15 | S11-H13 PolarHBondContact O-N 3.28Å; H13-S15 PolarHBondContact O-N 3.11Å; H13-S15 VanDerWaalsContact O-N 3.11Å |
| 14 | P | 53.5 | Low | 52.5 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -65 | 113.8 | 166.1 | 26.8 | -31.5 | 0 | 0 | 0 | 108.1 | | |
| 15 | S | 47.3 | Very low | 51.8 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -61.1 | 141.7 | 179.4 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | H13 | H13-S15 PolarHBondContact O-N 3.11Å; H13-S15 VanDerWaalsContact O-N 3.11Å |
| 16 | S | 51.9 | Low | 51.3 | Low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | -49.1 | 147.3 | 170.6 | 34.4 | 0 | 0 | 0 | 0 | 112.7 | I18 | S16-I18 PolarHBondContact O-N 3.26Š|
| 17 | P | 54.9 | Low | 50.7 | Low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | -67.5 | 102.2 | 174.7 | 27.9 | -33.1 | 0 | 0 | 0 | 109.5 | W19 | P17-W19 PolarHBondContact O-N 3.09Š|
| 18 | I | 60.5 | Low | 49.8 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -60.4 | 130.1 | 168.7 | -64.1 | 170.8 | 0 | 0 | 0 | 107.4 | S16 G20 | S16-I18 PolarHBondContact O-N 3.26Å; I18-G20 PolarHBondContact O-N 3.47Å |
| 19 | W | 49.4 | Very low | 49.8 | Very low | 243 Ų | 243 | 140.6 Ų | 140.6 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | | | trans | -61.7 | 99.4 | 173 | -83.9 | 56.7 | 0 | 0 | 0 | 109.3 | P17 C21 | P17-W19 PolarHBondContact O-N 3.09Å; W19-C21 PolarHBondContact O-N 3.28Å |
| 20 | G | 44.3 | Very low | 49.4 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -68.9 | 97.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | I18 M22 | I18-G20 PolarHBondContact O-N 3.47Å; G20-M22 PolarHBondContact O-N 2.91Å |
| 21 | C | 50.4 | Low | 48.5 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -56.1 | 104.8 | 167.2 | -65.3 | 0 | 0 | 0 | 0 | 109.4 | W19 R23 | W19-C21 PolarHBondContact O-N 3.28Å; C21-R23 VanDerWaalsContact C-N 3.26Å; C21-R23 PolarHBondContact O-N 2.97Å |
| 22 | M | 51.5 | Low | 48.8 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 93% | 0.931 | 80% | 0.795 | S | S | * | * | | | trans | -67.7 | 84.6 | 172.6 | -73.3 | -157.7 | 75.5 | 0 | 0 | 110.4 | G20 N24 | G20-M22 PolarHBondContact O-N 2.91Å; M22-N24 PolarHBondContact O-N 3.03Å |
| 23 | R | 52 | Low | 48.5 | Very low | 227 Ų | 227 | 136 Ų | 136 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -77 | 103.1 | 161.5 | -76.4 | -169.8 | -179.6 | -88.8 | 1.3 | 108.3 | C21 P25 | C21-R23 VanDerWaalsContact C-N 3.26Å; C21-R23 PolarHBondContact O-N 2.97Å; R23-P25 VanDerWaalsContact O-CD 3.29Å; R23-P25 WeakPolarHBondContact O-CD 3.29Å |
| 24 | N | 46.4 | Very low | 48.4 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | | | trans | -61.5 | 117.6 | 173.8 | -173.3 | 36.5 | 0 | 0 | 0 | 110.9 | M22 | M22-N24 PolarHBondContact O-N 3.03Š|
| 25 | P | 46 | Very low | 47.9 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -103.6 | 79 | 178.9 | 36.7 | -25.4 | 0 | 0 | 0 | 110.4 | R23 S27 | R23-P25 VanDerWaalsContact O-CD 3.29Å; R23-P25 WeakPolarHBondContact O-CD 3.29Å; P25-S27 PolarHBondContact O-N 2.87Å |
| 26 | H | 46.3 | Very low | 47.5 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -92.3 | 95.3 | 166.1 | -99.6 | -79.8 | 0 | 0 | 0 | 110.3 | | |
| 27 | S | 44.4 | Very low | 47.3 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -63.2 | 137.9 | 162.3 | 39.8 | 0 | 0 | 0 | 0 | 110 | P25 | P25-S27 PolarHBondContact O-N 2.87Š|
| 28 | G | 37 | Very low | 46.6 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -94.9 | 156.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 29 | V | 46.8 | Very low | 45.8 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -148.2 | 152.3 | 148.4 | -110.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 30 | P | 48.4 | Very low | 45.5 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | trans | -87.5 | 141.3 | -161.7 | 33.9 | -34.8 | 0 | 0 | 0 | 113.4 | | |
| 31 | G | 40.1 | Very low | 45 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -134.4 | 119.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N33 | G31-N33 PolarHBondContact O-N 2.9Š|
| 32 | T | 49.9 | Very low | 45 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -75.7 | 105.1 | -178.5 | 50 | 0 | 0 | 0 | 0 | 111.6 | | |
| 33 | N | 43.1 | Very low | 44.4 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | -153.3 | 135.6 | 155.2 | -132.8 | -99.1 | 0 | 0 | 0 | 113.3 | G31 | G31-N33 PolarHBondContact O-N 2.9Š|
| 34 | L | 53.4 | Low | 44.3 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -93.6 | 102.6 | 178.7 | -76.8 | 155 | 0 | 0 | 0 | 109.4 | | |
| 35 | Q | 41.9 | Very low | 44.6 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -156 | 128 | 156.7 | -147.8 | 82.4 | 33.3 | 0 | 0 | 111 | | |
| 36 | S | 39.5 | Very low | 44.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -95.4 | 178.3 | 176.1 | -138.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 37 | P | 46.3 | Very low | 45 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | | -126.9 | 104.5 | -111.1 | 32 | -11 | 0 | 0 | 0 | 112.7 | | |
| 38 | Y | 41.3 | Very low | 45 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -156.5 | 90.7 | 173.5 | -140.3 | -90.8 | 0 | 0 | 0 | 113.6 | | |
| 39 | Q | 43.3 | Very low | 45.8 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -145.2 | 127.2 | 142.7 | -82.5 | -53.7 | -7.3 | 0 | 0 | 110.1 | | |
| 40 | Q | 42.6 | Very low | 45.7 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 135.9 | 170.7 | -63.2 | -176.6 | 1.3 | 0 | 0 | 109 | | |
| 41 | S | 35 | Very low | 45.7 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -79.9 | 126 | 167.8 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | F43 | S41-F43 PolarHBondContact O-N 3.2Š|
| 42 | P | 49.7 | Very low | 46.4 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -71.2 | 115 | 175.1 | 28.8 | -32.1 | 0 | 0 | 0 | 109.3 | S44 | P42-S44 PolarHBondContact O-N 2.94Š|
| 43 | F | 39.8 | Very low | 46.5 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | | | trans | -59.9 | 101.8 | 175.9 | -72.4 | -87.8 | 0 | 0 | 0 | 110.9 | S41 L45 | S41-F43 PolarHBondContact O-N 3.2Å; F43-L45 VanDerWaalsContact C-N 3.35Å; F43-L45 PolarHBondContact O-N 3.17Å |
| 44 | S | 48.9 | Very low | 46.7 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 90.2 | 168.1 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | P42 H46 | P42-S44 PolarHBondContact O-N 2.94Å; S44-H46 PolarHBondContact O-N 3.41Å |
| 45 | L | 53.3 | Low | 46.9 | Very low | 146 Ų | 146 | 146 Ų | 146 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | -75 | 96.7 | 179.1 | -161.9 | 138.4 | 0 | 0 | 0 | 109.9 | F43 Q47 | F43-L45 VanDerWaalsContact C-N 3.35Å; F43-L45 PolarHBondContact O-N 3.17Å; L45-Q47 HydrophobicContact CD2-CG 4.28Å; L45-Q47 PolarHBondContact O-N 3.43Å |
| 46 | H | 50.6 | Low | 47.2 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | trans | -63 | 90 | 179.2 | 178.8 | -65.9 | 0 | 0 | 0 | 111.3 | S44 K48 | S44-H46 PolarHBondContact O-N 3.41Å; H46-K48 PolarHBondContact O-N 3.47Å |
| 47 | Q | 50 | Low | 47.6 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -65 | 114.5 | 171.9 | -69.6 | -174.4 | 4.6 | 0 | 0 | 109.9 | L45 | L45-Q47 HydrophobicContact CD2-CG 4.28Å; L45-Q47 PolarHBondContact O-N 3.43Å |
| 48 | K | 43.5 | Very low | 48 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | | | trans | -81.3 | 138.4 | 169.1 | -84.2 | -177.8 | 169.7 | 178.3 | 0 | 109.8 | H46 E50 | H46-K48 PolarHBondContact O-N 3.47Å; K48-E50 PolarHBondContact O-N 3.23Å |
| 49 | P | 54.4 | Low | 48.5 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -68.9 | -13.3 | -173.2 | -21.4 | 34.3 | 0 | 0 | 0 | 116 | F51 | P49-F51 PolarHBondContact O-N 2.8Å; P49-F51 VanDerWaalsContact O-N 3.09Å |
| 50 | E | 44.8 | Very low | 48.9 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -64.6 | -13.5 | -171.9 | -57.7 | -64.2 | 134 | 0 | 0 | 115 | K48 | K48-E50 PolarHBondContact O-N 3.23Š|
| 51 | F | 48.4 | Very low | 49.4 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -91.8 | 2.9 | -169.9 | -138.6 | -95.4 | 0 | 0 | 0 | 115.2 | P49 A53 | P49-F51 PolarHBondContact O-N 2.8Å; P49-F51 VanDerWaalsContact O-N 3.09Å; F51-A53 VanDerWaalsContact C-N 3.31Å; F51-A53 PolarHBondContact O-N 2.95Å |
| 52 | L | 55.6 | Low | 50.4 | Low | 139 Ų | 139 | 140.3 Ų | 140.3 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -82.2 | -2.7 | 179.5 | -66.8 | 177.2 | 0 | 0 | 0 | 114.3 | Y54 | L52-Y54 VanDerWaalsContact C-N 3.3Å; L52-Y54 PolarHBondContact O-N 3Å |
| 53 | A | 50.3 | Low | 50.2 | Low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -81.9 | 1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F51 | F51-A53 VanDerWaalsContact C-N 3.31Å; F51-A53 PolarHBondContact O-N 2.95Å |
| 54 | Y | 47.9 | Very low | 50.6 | Low | 176 Ų | 176 | 137.8 Ų | 137.8 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -119.5 | 23.2 | -175 | -150.4 | -97.5 | 0 | 0 | 0 | 114.2 | L52 | L52-Y54 VanDerWaalsContact C-N 3.3Å; L52-Y54 PolarHBondContact O-N 3Å |
| 55 | T | 57.4 | Low | 50.6 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 71% | 0.712 | 76% | 0.76 | S | S | * | * | | | trans | -102.3 | 31.3 | 175.3 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 56 | D | 48.9 | Very low | 50 | Low | 121 Ų | 121 | 135.8 Ų | 135.8 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | | | trans | -112.7 | 44.1 | 177.7 | -155 | -7.7 | 0 | 0 | 0 | 112.9 | | |
| 57 | F | 47.7 | Very low | 50 | Low | 173 Ų | 173 | 134.1 Ų | 134.1 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -139.9 | 47.8 | 169.4 | -80.5 | -73.7 | 0 | 0 | 0 | 111.1 | | |
| 58 | S | 55.4 | Low | 49.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -159.3 | 37.8 | 176.3 | -85.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 59 | T | 50.2 | Low | 49.9 | Very low | 98 Ų | 98 | 132 Ų | 132 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -123.7 | -9.7 | 176.2 | 44.1 | 0 | 0 | 0 | 0 | 114.3 | C61 | T59-C61 VanDerWaalsContact C-N 3.34Å; T59-C61 PolarHBondContact O-N 3.3Å |
| 60 | S | 52.4 | Low | 49.3 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 16.1 | -175 | -53.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 61 | C | 52.6 | Low | 49.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 4.4 | -179.5 | -61.9 | 0 | 0 | 0 | 0 | 114.5 | T59 | T59-C61 VanDerWaalsContact C-N 3.34Å; T59-C61 PolarHBondContact O-N 3.3Å |
| 62 | L | 56.9 | Low | 49.3 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -99.5 | 87.4 | 177.3 | -62.2 | -177.9 | 0 | 0 | 0 | 110.9 | | |
| 63 | V | 45.1 | Very low | 49.1 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -108.1 | 134.6 | 161.3 | 172.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 64 | P | 48.4 | Very low | 48.8 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -74.8 | 152.4 | -163.8 | -18.6 | 33.7 | 0 | 0 | 0 | 115.1 | A66 | P64-A66 PolarHBondContact O-N 3.5Š|
| 65 | S | 48.8 | Very low | 48.9 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -62.5 | 127.3 | 170.5 | -41.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 66 | A | 41.1 | Very low | 48.3 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | -132.5 | 138.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P64 | P64-A66 PolarHBondContact O-N 3.5Š|
| 67 | P | 51.1 | Low | 48.3 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -96.4 | 156.9 | -168.2 | 36.7 | -35.8 | 0 | 0 | 0 | 114.8 | | |
| 68 | H | 47.3 | Very low | 47.8 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 89% | 0.889 | 79% | 0.792 | S | S | * | * | | | trans | 58.2 | 118.9 | 157.7 | -93.6 | -103.4 | 0 | 0 | 0 | 119.5 | | |
| 69 | A | 43.8 | Very low | 47.5 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | | | | 166.7 | 147.6 | 98.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 70 | A | 41.6 | Very low | 46.9 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 53.7 | 108.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | P72 | A70-P72 WeakPolarHBondContact O-CD 3.03Š|
| 71 | Y | 43.1 | Very low | 46.4 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -69.4 | 133.7 | 151.2 | -68.5 | -91.8 | 0 | 0 | 0 | 110.4 | | |
| 72 | P | 50.4 | Low | 46.2 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -93.4 | 114.3 | 156.4 | -5.4 | 25.6 | 0 | 0 | 0 | 109.1 | A70 | A70-P72 WeakPolarHBondContact O-CD 3.03Š|
| 73 | R | 50 | Low | 45.3 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -85.9 | 149.1 | 164.3 | -120.3 | -85.7 | 174.2 | -178.8 | -1.3 | 108.4 | | |
| 74 | D | 45.3 | Very low | 45.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | 114.1 | 144.1 | 148.6 | -58.6 | -41.3 | 0 | 0 | 0 | 121.2 | | |
| 75 | D | 49.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | | | trans | 38.2 | 105.3 | 165.5 | -96 | -93.2 | 0 | 0 | 0 | 121.7 | | |
| 76 | R | 44.6 | Very low | 45.4 | Very low | 229 Ų | 229 | 146 Ų | 146 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -131.7 | 95.6 | 136 | -96.7 | -168.4 | 151.9 | 96.6 | -0.4 | 111.4 | Y78 | R76-Y78 PolarHBondContact O-N 3.13Å; R76-Y78 VanDerWaalsContact O-N 3.12Å |
| 77 | L | 49.1 | Very low | 45.6 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -47.6 | 111.3 | 145.9 | -79.1 | 156.5 | 0 | 0 | 0 | 108.9 | | |
| 78 | Y | 37.1 | Very low | 45.4 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | | | trans | -127.9 | 106.4 | 166.8 | -148.4 | -92.2 | 0 | 0 | 0 | 109.1 | R76 D80 | R76-Y78 PolarHBondContact O-N 3.13Å; R76-Y78 VanDerWaalsContact O-N 3.12Å; Y78-D80 HydrophobicContact CD1-CB 4.34Å; Y78-D80 PolarHBondContact O-N 3.1Å |
| 79 | Q | 48.7 | Very low | 45.3 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | | | trans | -85.8 | 100.5 | 177.3 | 179.3 | 164.6 | -5.8 | 0 | 0 | 108.1 | | |
| 80 | D | 38.6 | Very low | 45.4 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | | | trans | -105.1 | 110.3 | 176.5 | -146.4 | -61.9 | 0 | 0 | 0 | 112.2 | Y78 | Y78-D80 HydrophobicContact CD1-CB 4.34Å; Y78-D80 PolarHBondContact O-N 3.1Å |
| 81 | S | 40.3 | Very low | 45.8 | Very low | 92 Ų | 92 | 153.2 Ų | 153.2 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | 19.6 | 119.8 | 143.5 | -17.4 | 0 | 0 | 0 | 0 | 118.8 | G83 | S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 2.97Å |
| 82 | H | 50.1 | Low | 45.7 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 97% | 0.968 | 75% | 0.754 | S | S | * | * | | | trans | -65.5 | 87.9 | 159.1 | -71 | -83.9 | 0 | 0 | 0 | 111.2 | | |
| 83 | G | 37.4 | Very low | 45.7 | Very low | 57 Ų | 57 | 152.2 Ų | 152.2 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | | | trans | -93.9 | 106.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | S81 Y85 | S81-G83 VanDerWaalsContact C-N 3.32Å; S81-G83 PolarHBondContact O-N 2.97Å; G83-Y85 PolarHBondContact O-N 3.31Å; G83-Y85 VanDerWaalsContact O-N 3.17Å |
| 84 | G | 47.9 | Very low | 45.3 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -71.4 | 106.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 85 | Y | 42.9 | Very low | 44.8 | Very low | 219 Ų | 219 | 147.9 Ų | 147.9 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -97.7 | 120.3 | 155 | -66.5 | -84 | 0 | 0 | 0 | 108.3 | G83 R87 | G83-Y85 PolarHBondContact O-N 3.31Å; G83-Y85 VanDerWaalsContact O-N 3.17Å; Y85-R87 PolarHBondContact O-N 2.94Å |
| 86 | P | 52.9 | Low | 44.2 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -65.5 | 108.8 | 165.7 | 27.5 | -30.9 | 0 | 0 | 0 | 107.4 | A88 | P86-A88 PolarHBondContact O-N 3.11Š|
| 87 | R | 45.7 | Very low | 44 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 73% | 0.725 | 76% | 0.764 | S | S | * | * | | | trans | -57.1 | 132.4 | 170.6 | -164.3 | -168.7 | -162.2 | -70.7 | 2.9 | 107.2 | Y85 D89 | Y85-R87 PolarHBondContact O-N 2.94Å; R87-D89 PolarHBondContact O-N 2.89Å |
| 88 | A | 47.9 | Very low | 43.6 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | trans | -69.1 | 104.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | P86 W90 | P86-A88 PolarHBondContact O-N 3.11Å; A88-W90 PolarHBondContact O-N 2.86Å |
| 89 | D | 43.5 | Very low | 43.5 | Very low | 99 Ų | 99 | 145 Ų | 145 | 53% | 0.529 | 77% | 0.766 | S | S | . | * | | | trans | -74.5 | 120.1 | 175.9 | -44.3 | -38.6 | 0 | 0 | 0 | 108.7 | R87 Q91 | R87-D89 PolarHBondContact O-N 2.89Å; D89-Q91 HydrophobicContact CB-CG 3.69Å; D89-Q91 PolarHBondContact O-N 2.93Å; D89-Q91 PolarHBondContact OD2-NE2 2.63Å |
| 90 | W | 47 | Very low | 42.9 | Very low | 224 Ų | 224 | 145.9 Ų | 145.9 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | trans | -77.3 | 62.5 | 165.3 | -72.4 | 98.6 | 0 | 0 | 0 | 109.5 | A88 F92 | A88-W90 PolarHBondContact O-N 2.86Å; W90-F92 PolarHBondContact O-N 2.91Å |
| 91 | Q | 48.6 | Very low | 42.7 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | -68.8 | 96.9 | 173 | -72.7 | -179.8 | 45.2 | 0 | 0 | 108.9 | D89 N93 | D89-Q91 HydrophobicContact CB-CG 3.69Å; D89-Q91 PolarHBondContact O-N 2.93Å; D89-Q91 PolarHBondContact OD2-NE2 2.63Å; Q91-N93 PolarHBondContact O-N 2.8Å; Q91-N93 VanDerWaalsContact O-N 3.16Å |
| 92 | F | 41.1 | Very low | 42.6 | Very low | 191 Ų | 191 | 147 Ų | 147 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -66.1 | 108.4 | 162.1 | -82.5 | -92.9 | 0 | 0 | 0 | 108.2 | W90 P94 | W90-F92 PolarHBondContact O-N 2.91Å; F92-P94 WeakPolarHBondContact O-CD 3.25Å |
| 93 | N | 50.4 | Low | 41.9 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -59.4 | 125.9 | 170.9 | -72.6 | -78 | 0 | 0 | 0 | 109.4 | Q91 C95 | Q91-N93 PolarHBondContact O-N 2.8Å; Q91-N93 VanDerWaalsContact O-N 3.16Å; N93-C95 PolarHBondContact O-N 3.23Å |
| 94 | P | 42.8 | Very low | 42 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -58.3 | 136.9 | 162 | -17.5 | 31 | 0 | 0 | 0 | 108.4 | F92 E96 | F92-P94 WeakPolarHBondContact O-CD 3.25Å; P94-E96 PolarHBondContact O-N 3.1Å |
| 95 | C | 35.4 | Very low | 41.2 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | | | trans | -72 | 103.5 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 109.3 | N93 T97 | N93-C95 PolarHBondContact O-N 3.23Å; C95-T97 PolarHBondContact O-N 2.96Å |
| 96 | E | 37 | Very low | 41.5 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -65.1 | 122.1 | 170.9 | -67.5 | -147.9 | 126.7 | 0 | 0 | 109.7 | P94 R98 | P94-E96 PolarHBondContact O-N 3.1Å; E96-R98 PolarHBondContact O-N 3.19Å |
| 97 | T | 40.6 | Very low | 41.2 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -54.3 | 130.8 | 171.4 | 25.3 | 0 | 0 | 0 | 0 | 110.1 | C95 S99 | C95-T97 PolarHBondContact O-N 2.96Å; T97-S99 PolarHBondContact O-N 3.31Å |
| 98 | R | 39.2 | Very low | 40.8 | Very low | 214 Ų | 214 | 142.2 Ų | 142.2 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -63.5 | 86.4 | -174.2 | -172 | -176.1 | -170.1 | 170.6 | 7.4 | 112.7 | E96 R100 | E96-R98 PolarHBondContact O-N 3.19Å; R98-R100 PolarHBondContact O-N 3.11Å; R98-R100 VanDerWaalsContact O-N 3.15Å |
| 99 | S | 34.5 | Very low | 40.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -60.8 | 110.8 | 164.9 | -64.6 | 0 | 0 | 0 | 0 | 109.8 | T97 | T97-S99 PolarHBondContact O-N 3.31Š|
| 100 | R | 36.4 | Very low | 40.1 | Very low | 216 Ų | 216 | 144.4 Ų | 144.4 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | | | trans | -90.1 | 111.6 | 160.5 | -80.8 | -170.4 | 176 | -151.8 | 1.4 | 107.8 | R98 | R98-R100 PolarHBondContact O-N 3.11Å; R98-R100 VanDerWaalsContact O-N 3.15Å |
| 101 | S | 34.2 | Very low | 39.5 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -118.3 | 104.7 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 111 | | |
| 102 | T | 39.6 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -172.2 | 141.7 | 147.6 | 60.9 | 0 | 0 | 0 | 0 | 104.5 | | |
| 103 | D | 34.5 | Very low | 38.6 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | cis | -138.5 | 165.9 | 17.6 | -75.2 | -80.5 | 0 | 0 | 0 | 111.7 | | |
| 104 | A | 39 | Very low | 37.9 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -99.9 | 150.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 105 | C | 32.8 | Very low | 37.5 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -150.8 | 154.4 | 158 | -109.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 106 | P | 48.8 | Very low | 37.4 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | | | trans | -94.7 | 165.6 | -154.6 | 36.8 | -37.5 | 0 | 0 | 0 | 115.5 | | |
| 107 | P | 46.3 | Very low | 37.2 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -78.3 | 143.8 | 176.4 | 32.6 | -35 | 0 | 0 | 0 | 112.6 | | |
| 108 | I | 37.9 | Very low | 36.8 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | trans | -109.9 | 123.6 | 170.8 | -19.4 | 175.9 | 0 | 0 | 0 | 108.9 | | |
| 109 | S | 38.4 | Very low | 36.5 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -80 | 137.2 | 178 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 110 | A | 37.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | | | trans | -146.2 | 103.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 111 | T | 33.9 | Very low | 36.4 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -82.9 | 134.5 | 160.2 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 112 | V | 37.1 | Very low | 36.4 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | | -159.6 | 140.8 | 112.8 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 113 | V | 34.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 116.6 Ų | 116.6 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | | | trans | 9.3 | 136.8 | 141.6 | -173.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 114 | G | 35.3 | Very low | 36.8 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | | | trans | -179.8 | 43.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 115 | T | 33.3 | Very low | 36.7 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -9.3 | 133.7 | 168.6 | -36.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 116 | G | 34 | Very low | 36.9 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | 115.2 | 140.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 117 | G | 32.8 | Very low | 36.4 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | cis | 162.7 | 123.5 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 118 | G | 33.1 | Very low | 36 | Very low | 88 Ų | 88 | 118 Ų | 118 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | 77.3 | 154.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 119 | G | 32.6 | Very low | 36.2 | Very low | 79 Ų | 79 | 118.1 Ų | 118.1 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | cis | 163.3 | 150 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 120 | G | 34 | Very low | 36.3 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | | | trans | 84.1 | 129 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 121 | S | 35 | Very low | 36.4 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | | 91.2 | 103.7 | 56.2 | -77.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 122 | E | 33.7 | Very low | 36.9 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | | 86.6 | 105.2 | 99.7 | -73.1 | 160.6 | 139.7 | 0 | 0 | 111.4 | | |
| 123 | L | 47.7 | Very low | 36.6 | Very low | 162 Ų | 162 | 121.4 Ų | 121.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | | 88.6 | 162.2 | 88.2 | -82.5 | 174.3 | 0 | 0 | 0 | 113.9 | | |
| 124 | E | 34.6 | Very low | 36.7 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | | | trans | 76.9 | 122.8 | -177.3 | -45.1 | -153.5 | 101.2 | 0 | 0 | 115.8 | | |
| 125 | N | 36.6 | Very low | 37 | Very low | 145 Ų | 145 | 124 Ų | 124 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | cis | 81.3 | 83 | 23.5 | -168.2 | 38.5 | 0 | 0 | 0 | 117.6 | | |
| 126 | V | 38.2 | Very low | 38.3 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | -165.8 | 146.9 | 135.3 | -100.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 127 | G | 37 | Very low | 39.2 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | cis | 109.8 | 74.5 | 9.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 128 | A | 39 | Very low | 39.1 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -156.6 | 110.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 129 | E | 42.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 152.5 | 157.1 | -73.9 | -165.7 | 85 | 0 | 0 | 111.2 | | |
| 130 | R | 38.9 | Very low | 40.1 | Very low | 247 Ų | 247 | 129.6 Ų | 129.6 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | | -160.9 | 114.2 | 124.7 | -77.6 | -143.2 | 176.2 | 91.3 | 3.3 | 112 | | |
| 131 | V | 40.5 | Very low | 40.2 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -73.2 | 144.1 | 157.2 | 175.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 132 | P | 45.6 | Very low | 40.3 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | -159.7 | 164.3 | 68.2 | 42 | -19.7 | 0 | 0 | 0 | 121.1 | | |
| 133 | G | 30.3 | Very low | 40.2 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | | 117.3 | 141.8 | 129.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 134 | S | 35.9 | Very low | 39.5 | Very low | 131 Ų | 131 | 135 Ų | 135 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | 80.7 | 116.1 | 156.2 | -58.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 135 | V | 41.7 | Very low | 40 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -102.1 | -179.1 | 160.7 | -71.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 136 | P | 60.4 | Low | 41.1 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -117.4 | -126.1 | -36.8 | 31 | -7.9 | 0 | 0 | 0 | 107.5 | | |
| 137 | P | 53.4 | Low | 41 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | cis | -129.4 | 179.1 | -35.7 | 39.6 | -22.8 | 0 | 0 | 0 | 115.5 | | |
| 138 | G | 31.2 | Very low | 41.3 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | trans | 94.5 | 123.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 139 | C | 45.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | cis | 76.4 | 151.4 | 49.4 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 140 | L | 40.4 | Very low | 41.4 | Very low | 164 Ų | 164 | 131 Ų | 131 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | 79.6 | 149 | -177.6 | -46.6 | 173.6 | 0 | 0 | 0 | 115 | | |
| 141 | D | 35.3 | Very low | 41.5 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | cis | -167.8 | 160.2 | -36.8 | -140 | -65.7 | 0 | 0 | 0 | 108.2 | | |
| 142 | G | 38.5 | Very low | 41.7 | Very low | 59 Ų | 59 | 123.4 Ų | 123.4 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | 58.5 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 143 | E | 30.6 | Very low | 41.7 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | cis | -165.7 | 145 | -21.7 | 52.2 | -169.1 | 90.3 | 0 | 0 | 111.4 | | |
| 144 | Y | 32.9 | Very low | 42.4 | Very low | 217 Ų | 217 | 125.4 Ų | 125.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | 62.2 | 148.1 | 149.3 | -152.1 | -113.4 | 0 | 0 | 0 | 122.8 | | |
| 145 | S | 45.5 | Very low | 43.1 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -103.5 | -156 | -177.3 | -148.4 | 0 | 0 | 0 | 0 | 109 | | |
| 146 | P | 59.6 | Low | 43.8 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | cis | -138.3 | 172.8 | -12.7 | 40.4 | -22.6 | 0 | 0 | 0 | 116.2 | | |
| 147 | Q | 36.2 | Very low | 43.1 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | 153 | 145.6 | 140.5 | -89.7 | -174.8 | -8.1 | 0 | 0 | 110.1 | | |
| 148 | S | 43.7 | Very low | 43 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | cis | 165.7 | 122 | -30.7 | 49.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 149 | V | 43.2 | Very low | 43.4 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | | | trans | -152.9 | 145 | 147 | -85.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 150 | A | 39.8 | Very low | 43.3 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -71.2 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 151 | S | 41.5 | Very low | 43.4 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | cis | -175.2 | 163.6 | -19.7 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 152 | A | 43.9 | Very low | 44.2 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 99.5 | 147.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 153 | D | 45.2 | Very low | 44.5 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | cis | -172 | 138.7 | -28.5 | 175.2 | -92.7 | 0 | 0 | 0 | 106.7 | | |
| 154 | S | 45.8 | Very low | 45.3 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 173.3 | 79.5 | 149.8 | -85.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 155 | D | 50 | Low | 46.1 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -71.5 | 135.3 | 157.9 | -88.2 | -79.9 | 0 | 0 | 0 | 111.2 | | |
| 156 | K | 56.4 | Low | 46.4 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -139.4 | 98.3 | 154.1 | -72.7 | -164.1 | 171.3 | 52 | 0 | 113.4 | | |
| 157 | K | 46.9 | Very low | 45.9 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -65 | 150.3 | 168 | -177.2 | 84.7 | 168 | -165.8 | 0 | 111.9 | | |
| 158 | C | 49.7 | Very low | 46.3 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -49.6 | 138.7 | 164.1 | 174.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 159 | S | 40.1 | Very low | 46.5 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -141.5 | 115.9 | 166.5 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 160 | N | 43.2 | Very low | 46.7 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -86.4 | 118.1 | 162.5 | -86.2 | -14.5 | 0 | 0 | 0 | 109.5 | | |
| 161 | K | 43.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | | 168.6 | 128 | 122.9 | -95.5 | 174.7 | 178.1 | 169.8 | 0 | 114.5 | | |
| 162 | R | 51.5 | Low | 46.7 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | 60.5 | 110.6 | 137.8 | -61.3 | 175.3 | 178.4 | -169.2 | -2.6 | 119.1 | | |
| 163 | K | 44.8 | Very low | 46.7 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | | -129.8 | 134.8 | 117.9 | -167.5 | 165.4 | -176.1 | -78.1 | 0 | 109.3 | D165 | K163-D165 IonicContact NZ-OD1 2.59Å; K163-D165 IonicContact NZ-OD2 2.93Å; K163-D165 PolarHBondContact NZ-OD2 3.04Å |
| 164 | R | 48.8 | Very low | 46.4 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -97.8 | 132.1 | 172.4 | 158.8 | -169.6 | -74.1 | 170.8 | -7.1 | 106.4 | V166 | R164-V166 HydrophobicContact CG-CG2 4.48Š|
| 165 | D | 48.7 | Very low | 46.3 | Very low | 128 Ų | 128 | 151 Ų | 151 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | | | trans | -139.4 | 141.8 | 149.2 | -69.4 | -71.1 | 0 | 0 | 0 | 107.3 | K163 | K163-D165 IonicContact NZ-OD1 2.59Å; K163-D165 IonicContact NZ-OD2 2.93Å; K163-D165 PolarHBondContact NZ-OD2 3.04Å |
| 166 | V | 52.9 | Low | 46.4 | Very low | 129 Ų | 129 | 150.2 Ų | 150.2 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | -103.5 | 130.8 | -172.2 | 157.2 | 0 | 0 | 0 | 0 | 109.5 | R164 | R164-V166 HydrophobicContact CG-CG2 4.48Š|
| 167 | A | 48.2 | Very low | 45.5 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -140.4 | 137.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 168 | D | 43.9 | Very low | 45.6 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | -88.8 | -165.2 | -168.5 | -167.8 | -102.7 | 0 | 0 | 0 | 112.4 | | |
| 169 | I | 49.1 | Very low | 45.3 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 80.3 | 87.3 | 178.4 | -52.6 | 176.3 | 0 | 0 | 0 | 112 | | |
| 170 | Q | 46.7 | Very low | 45.4 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | | 43.7 | 116.3 | 70.1 | -57.6 | -173.5 | 9.1 | 0 | 0 | 111.7 | | |
| 171 | D | 35.6 | Very low | 45.3 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | | | | -163.8 | 165.3 | 54.6 | 176.3 | -130.2 | 0 | 0 | 0 | 112 | | |
| 172 | S | 45.6 | Very low | 45.4 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 50% | 0.497 | 75% | 0.748 | S | S | . | * | | | trans | -61.1 | 121.2 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 173 | S | 44 | Very low | 45.1 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | -148.9 | 52.8 | 156.9 | -158.3 | 0 | 0 | 0 | 0 | 113.1 | K175 | S173-K175 PolarHBondContact O-N 3.31Š|
| 174 | F | 38.4 | Very low | 45.5 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | | | trans | -75.2 | 62.7 | 160 | 32.5 | -96.2 | 0 | 0 | 0 | 110.1 | V176 | F174-V176 PolarHBondContact O-N 2.95Å; F174-V176 VanDerWaalsContact O-N 3.11Å |
| 175 | K | 43.8 | Very low | 45.6 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | -83.5 | 64.9 | 162.8 | -68.3 | -161.7 | 178.7 | -175.6 | 0 | 109.8 | S173 D177 | S173-K175 PolarHBondContact O-N 3.31Å; K175-D177 VanDerWaalsContact C-N 3.32Å; K175-D177 PolarHBondContact O-N 3.42Å; K175-D177 VanDerWaalsContact O-N 3.1Å |
| 176 | V | 51.6 | Low | 45.8 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | | | trans | -67.7 | 104.1 | 152 | 171.1 | 0 | 0 | 0 | 0 | 105.8 | F174 S178 | F174-V176 PolarHBondContact O-N 2.95Å; F174-V176 VanDerWaalsContact O-N 3.11Å; V176-S178 PolarHBondContact O-N 3.41Å |
| 177 | D | 37.7 | Very low | 46.4 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 57% | 0.567 | 75% | 0.749 | S | S | * | * | | | trans | -25.3 | 116.7 | 176 | 175.3 | -105.8 | 0 | 0 | 0 | 114.5 | K175 S179 | K175-D177 VanDerWaalsContact C-N 3.32Å; K175-D177 PolarHBondContact O-N 3.42Å; K175-D177 VanDerWaalsContact O-N 3.1Å; D177-S179 PolarHBondContact O-N 3.25Å; D177-S179 VanDerWaalsContact O-N 3.1Å; D177-S179 WeakPolarHBondContact OD1-CA 3.19Å; D177-S179 WeakPolarHBondContact OD1-CB 3.14Å; D177-S179 PolarHBondContact OD1-N 2.98Å; D177-S179 VanDerWaalsContact OD2-CB 3.25Å; D177-S179 WeakPolarHBondContact OD2-CB 3.41Å |
| 178 | S | 49.3 | Very low | 47.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 23.8 | 173.4 | -49.5 | 0 | 0 | 0 | 0 | 112.7 | V176 | V176-S178 PolarHBondContact O-N 3.41Š|
| 179 | S | 43.1 | Very low | 48.8 | Very low | 73 Ų | 73 | 139 Ų | 139 | 51% | 0.51 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.4 | 17.6 | -179.6 | -154.7 | 0 | 0 | 0 | 0 | 113.3 | D177 K181 | D177-S179 PolarHBondContact O-N 3.25Å; D177-S179 VanDerWaalsContact O-N 3.1Å; D177-S179 WeakPolarHBondContact OD1-CA 3.19Å; D177-S179 WeakPolarHBondContact OD1-CB 3.14Å; D177-S179 PolarHBondContact OD1-N 2.98Å; D177-S179 VanDerWaalsContact OD2-CB 3.25Å; D177-S179 WeakPolarHBondContact OD2-CB 3.41Å; S179-K181 PolarHBondContact O-N 2.97Å |
| 180 | C | 42.8 | Very low | 50.3 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | | | trans | -67.9 | 71.1 | 154.7 | -79.1 | 0 | 0 | 0 | 0 | 110.7 | A182 | C180-A182 PolarHBondContact O-N 3.36Å; C180-A182 VanDerWaalsContact O-N 3.13Å |
| 181 | K | 42.2 | Very low | 51.8 | Low | 172 Ų | 172 | 136.6 Ų | 136.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | -38.7 | 118 | 172.2 | -65.3 | 173 | -177.7 | 174.1 | 0 | 110 | S179 R183 | S179-K181 PolarHBondContact O-N 2.97Å; K181-R183 PolarHBondContact O-N 3.3Å |
| 182 | A | 44.4 | Very low | 53.9 | Low | 105 Ų | 105 | 136.2 Ų | 136.2 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | | | trans | -19.1 | 65.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | C180 K184 | C180-A182 PolarHBondContact O-N 3.36Å; C180-A182 VanDerWaalsContact O-N 3.13Å; A182-K184 PolarHBondContact O-N 3.01Å |
| 183 | R | 45.8 | Very low | 55.6 | Low | 237 Ų | 237 | 134.4 Ų | 134.4 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | | | trans | -82.7 | 75.5 | 171.3 | -81.8 | -176.5 | -179.7 | 168.4 | 0.8 | 107 | K181 E185 | K181-R183 PolarHBondContact O-N 3.3Å; R183-E185 PolarHBondContact O-N 2.97Å |
| 184 | K | 52.1 | Low | 57.4 | Low | 145 Ų | 145 | 133.3 Ų | 133.3 | 63% | 0.63 | 68% | 0.681 | S | S | * | * | | | trans | -14.3 | 98.7 | 165 | -159.6 | 164.4 | -175.1 | 172 | 0 | 111.3 | A182 R186 | A182-K184 PolarHBondContact O-N 3.01Å; K184-R186 PolarHBondContact O-N 2.98Å |
| 185 | E | 50.8 | Low | 59.5 | Low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 67% | 0.674 | S | S | * | * | | | trans | -60.5 | 127.9 | -167.4 | -167.5 | 159.5 | -178.8 | 0 | 0 | 109.3 | R183 T187 | R183-E185 PolarHBondContact O-N 2.97Å; E185-T187 PolarHBondContact O-N 3.45Å |
| 186 | R | 53.1 | Low | 61.3 | Low | 244 Ų | 244 | 127.5 Ų | 127.5 | 92% | 0.921 | 65% | 0.652 | S | S | * | * | | | trans | -67.9 | 99.7 | 179.7 | -76.4 | -175.3 | 175.4 | -173.5 | -2 | 107.6 | K184 A188 | K184-R186 PolarHBondContact O-N 2.98Å; R186-A188 PolarHBondContact O-N 3.13Å |
| 187 | T | 67.1 | Low | 62.7 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 63% | 0.632 | 63% | 0.626 | S | S | * | * | | | trans | -61.4 | 107.6 | 174.2 | -28.1 | 0 | 0 | 0 | 0 | 107.9 | E185 F189 | E185-T187 PolarHBondContact O-N 3.45Å; T187-F189 PolarHBondContact O-N 2.75Å |
| 188 | A | 72.9 | Confident | 64.8 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 74% | 0.744 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R186 | R186-A188 PolarHBondContact O-N 3.13Š|
| 189 | F | 68.6 | Low | 66.3 | Low | 82 Ų | 82 | 119.5 Ų | 119.5 | 36% | 0.36 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -69 | 144.5 | 176.7 | -53.3 | -59.5 | 0 | 0 | 0 | 109.9 | T187 Q193 L194 L221 R226 | T187-F189 PolarHBondContact O-N 2.75Å; F189-Q193 HydrophobicContact CB-CB 4.21Å; F189-L194 HydrophobicContact CB-CD1 3.58Å; F189-L221 HydrophobicContact CD1-CD2 3.72Å; F189-L221 HydrophobicContact CE1-CD2 3.97Å; F189-R226 HydrophobicContact CE1-CG 4.45Å; F189-R226 VanDerWaalsContact CE1-NH1 3.25Å; F189-R226 VanDerWaalsContact CE2-NH2 3.26Å; F189-R226 HydrophobicContact CZ-CG 4.12Å |
| 190 | T | 80.8 | Confident | 67.9 | Low | 71 Ų | 71 | 117.8 Ų | 117.8 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 154.4 | 176.8 | 71 | 0 | 0 | 0 | 0 | 110 | E192 Q193 L194 | T190-E192 PolarHBondContact O-N 2.86Å; T190-E192 VanDerWaalsContact O-N 3.09Å; T190-Q193 WeakPolarHBondContact O-CB 3.05Å; T190-Q193 PolarHBondContact O-N 2.86Å; T190-Q193 VanDerWaalsContact OG1-CG 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.33Å; T190-Q193 PolarHBondContact OG1-N 3.14Å; T190-L194 WeakPolarHBondContact O-CD1 3.47Å; T190-L194 PolarHBondContact O-N 2.99Å; T190-L194 VanDerWaalsContact O-N 3.1Å |
| 191 | K | 78.6 | Confident | 69.4 | Low | 195 Ų | 195 | 117.8 Ų | 117.8 | 85% | 0.848 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -54.6 | -31.9 | 178 | -174 | 179 | 178.5 | -177 | 0 | 112.6 | R195 | K191-R195 PolarHBondContact O-N 2.76Å |
| 192 | E | 80.1 | Confident | 71 | Confident | 139 Ų | 139 | 114.5 Ų | 114.5 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.7 | -49.8 | 175.6 | -171.9 | 160.4 | -139.5 | 0 | 0 | 111.7 | T190 L194 R195 E196 | T190-E192 PolarHBondContact O-N 2.86Å; T190-E192 VanDerWaalsContact O-N 3.09Å; E192-L194 VanDerWaalsContact C-N 3.28Å; E192-L194 PolarHBondContact O-N 3.27Å; E192-R195 WeakPolarHBondContact O-CB 3.35Å; E192-R195 PolarHBondContact O-N 3.35Å; E192-E196 PolarHBondContact O-N 3.35Å |
| 193 | Q | 79.4 | Confident | 72.2 | Confident | 33 Ų | 33 | 116.6 Ų | 116.6 | 15% | 0.154 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -57.7 | -35.1 | 175.2 | -73.5 | 171 | -19.6 | 0 | 0 | 113.4 | F189 T190 L197 L219 L221 | F189-Q193 HydrophobicContact CB-CB 4.21Å; T190-Q193 WeakPolarHBondContact O-CB 3.05Å; T190-Q193 PolarHBondContact O-N 2.86Å; T190-Q193 VanDerWaalsContact OG1-CG 3.31Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.33Å; T190-Q193 PolarHBondContact OG1-N 3.14Å; Q193-L197 VanDerWaalsContact O-CD1 3.27Å; Q193-L197 WeakPolarHBondContact O-CD1 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.47Å; Q193-L197 PolarHBondContact O-N 3.29Å; Q193-L219 HydrophobicContact CG-CB 4.34Å; Q193-L219 HydrophobicContact CG-CD2 4.13Å; Q193-L219 PolarHBondContact NE2-O 3.41Å; Q193-L221 HydrophobicContact CG-CD2 4.5Å |
| 194 | L | 82.4 | Confident | 73.6 | Confident | 75 Ų | 75 | 109.7 Ų | 109.7 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 171.9 | -81.7 | 81.2 | 0 | 0 | 0 | 111 | F189 T190 E192 E196 L197 E198 | F189-L194 HydrophobicContact CB-CD1 3.58Å; T190-L194 WeakPolarHBondContact O-CD1 3.47Å; T190-L194 PolarHBondContact O-N 2.99Å; T190-L194 VanDerWaalsContact O-N 3.1Å; E192-L194 VanDerWaalsContact C-N 3.28Å; E192-L194 PolarHBondContact O-N 3.27Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 3.45Å; L194-L197 WeakPolarHBondContact O-CB 3.48Å; L194-L197 PolarHBondContact O-N 2.97Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.59Å |
| 195 | R | 83.8 | Confident | 74.5 | Confident | 170 Ų | 170 | 107.7 Ų | 107.7 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -35.5 | -173 | -146.2 | -163.2 | 76.2 | 78.9 | 4.7 | 112.6 | K191 E192 A199 | K191-R195 PolarHBondContact O-N 2.76Å; E192-R195 WeakPolarHBondContact O-CB 3.35Å; E192-R195 PolarHBondContact O-N 3.35Å; R195-A199 WeakPolarHBondContact O-CB 3.16Å; R195-A199 PolarHBondContact O-N 3.48Å |
| 196 | E | 81.4 | Confident | 75.9 | Confident | 82 Ų | 82 | 109.2 Ų | 109.2 | 38% | 0.383 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.6 | -41 | 174.3 | -72.1 | -178.3 | -120.9 | 0 | 0 | 112.1 | E192 L194 E198 A199 E200 L219 | E192-E196 PolarHBondContact O-N 3.35Å; L194-E196 VanDerWaalsContact C-N 3.29Å; L194-E196 PolarHBondContact O-N 3.45Å; E196-E198 VanDerWaalsContact C-N 3.31Å; E196-E198 PolarHBondContact O-N 2.91Å; E196-A199 PolarHBondContact O-N 3.5Å; E196-E200 WeakPolarHBondContact O-CB 3.47Å; E196-E200 PolarHBondContact O-N 2.89Å; E196-L219 HydrophobicContact CB-CD2 3.94Å; E196-L219 VanDerWaalsContact CD-CD2 3.42Å; E196-L219 HydrophobicContact CG-CD2 4.27Å; E196-L219 VanDerWaalsContact OE2-CD2 3.26Å; E196-L219 WeakPolarHBondContact OE2-CD2 3.08Å |
| 197 | L | 80.3 | Confident | 77.1 | Confident | 44 Ų | 44 | 99.4 Ų | 99.4 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 174 | -72.4 | 166.5 | 0 | 0 | 0 | 112.5 | Q193 L194 F201 I215 L219 | Q193-L197 VanDerWaalsContact O-CD1 3.27Å; Q193-L197 WeakPolarHBondContact O-CD1 3.32Å; Q193-L197 WeakPolarHBondContact O-CG 3.47Å; Q193-L197 PolarHBondContact O-N 3.29Å; L194-L197 WeakPolarHBondContact O-CB 3.48Å; L194-L197 PolarHBondContact O-N 2.97Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L197-F201 VanDerWaalsContact O-CB 3.25Å; L197-F201 WeakPolarHBondContact O-CB 3.32Å; L197-F201 PolarHBondContact O-N 3.01Å; L197-I215 HydrophobicContact CD2-CG2 3.75Å; L197-L219 HydrophobicContact CD1-CD1 4.39Å; L197-L219 HydrophobicContact CD2-CD1 4.15Å; L197-L219 HydrophobicContact CG-CD1 3.9Å |
| 198 | E | 81.6 | Confident | 78 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 175.4 | -71.8 | 165.3 | -168.9 | 0 | 0 | 112.1 | L194 E196 E200 F201 T202 | L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.59Å; E196-E198 VanDerWaalsContact C-N 3.31Å; E196-E198 PolarHBondContact O-N 2.91Å; E198-E200 VanDerWaalsContact C-N 3.27Å; E198-E200 PolarHBondContact O-N 3.29Å; E198-F201 PolarHBondContact O-N 3.12Å; E198-T202 WeakPolarHBondContact O-CG2 3.37Å; E198-T202 PolarHBondContact O-N 3.38Å; E198-T202 PolarHBondContact O-OG1 2.85Å |
| 199 | A | 80.6 | Confident | 78.2 | Confident | 41 Ų | 41 | 104 Ų | 104 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R195 E196 T202 H203 | R195-A199 WeakPolarHBondContact O-CB 3.16Å; R195-A199 PolarHBondContact O-N 3.48Å; E196-A199 PolarHBondContact O-N 3.5Å; A199-T202 WeakPolarHBondContact CA-OG1 3.37Å; A199-T202 PolarHBondContact O-OG1 3.17Å; A199-H203 PolarHBondContact O-ND1 3.46Å |
| 200 | E | 77.2 | Confident | 78.9 | Confident | 37 Ų | 37 | 105.4 Ų | 105.4 | 17% | 0.173 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -83.3 | -36.6 | -179.9 | -165.5 | 57 | -138.6 | 0 | 0 | 111.9 | E196 E198 T202 H203 H204 L207 R211 I215 | E196-E200 WeakPolarHBondContact O-CB 3.47Å; E196-E200 PolarHBondContact O-N 2.89Å; E198-E200 VanDerWaalsContact C-N 3.27Å; E198-E200 PolarHBondContact O-N 3.29Å; E200-T202 VanDerWaalsContact C-N 3.34Å; E200-T202 PolarHBondContact O-N 3.09Å; E200-H203 PolarHBondContact O-N 3.1Å; E200-H204 PolarHBondContact O-N 2.98Å; E200-H204 IonicContact OE1-CD2 3.57Å; E200-H204 PolarHBondContact OE1-CD2 3.02Å; E200-L207 HydrophobicContact CG-CD2 4.12Å; E200-R211 IonicContact OE1-CZ 3.76Å; E200-R211 IonicContact OE1-NE 3.21Å; E200-R211 PolarHBondContact OE1-NE 3.42Å; E200-R211 IonicContact OE1-NH2 3.4Å; E200-R211 PolarHBondContact OE1-NH2 3.06Å; E200-R211 IonicContact OE2-CZ 2.85Å; E200-R211 IonicContact OE2-NE 3.81Å; E200-R211 IonicContact OE2-NH2 3.87Å; E200-R211 PolarHBondContact OE2-NH2 3.32Å; E200-I215 HydrophobicContact CB-CD1 4.41Å; E200-I215 HydrophobicContact CG-CD1 3.43Å; E200-I215 VanDerWaalsContact CG-CD1 3.43Å; E200-I215 HydrophobicContact CG-CG1 3.94Å |
| 201 | F | 73.9 | Confident | 78.9 | Confident | 115 Ų | 115 | 106 Ų | 106 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 172.7 | -175.2 | -103.6 | 0 | 0 | 0 | 112.9 | L197 E198 H203 H204 N205 | L197-F201 VanDerWaalsContact O-CB 3.25Å; L197-F201 WeakPolarHBondContact O-CB 3.32Å; L197-F201 PolarHBondContact O-N 3.01Å; E198-F201 PolarHBondContact O-N 3.12Å; F201-H203 VanDerWaalsContact C-N 3.3Å; F201-H203 PolarHBondContact O-N 2.98Å; F201-H204 CarbonylContact O-C 3.27Å; F201-H204 VanDerWaalsContact O-C 3.27Å; F201-H204 PolarHBondContact O-N 2.87Å; F201-N205 WeakPolarHBondContact CE2-O 3.5Å; F201-N205 PolarHBondContact O-N 3.42Å |
| 202 | T | 76.8 | Confident | 79 | Confident | 104 Ų | 104 | 99.4 Ų | 99.4 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.1 | -27.1 | 175.4 | 42.3 | 0 | 0 | 0 | 0 | 113.2 | E198 A199 E200 | E198-T202 WeakPolarHBondContact O-CG2 3.37Å; E198-T202 PolarHBondContact O-N 3.38Å; E198-T202 PolarHBondContact O-OG1 2.85Å; A199-T202 WeakPolarHBondContact CA-OG1 3.37Å; A199-T202 PolarHBondContact O-OG1 3.17Å; E200-T202 VanDerWaalsContact C-N 3.34Å; E200-T202 PolarHBondContact O-N 3.09Å |
| 203 | H | 68.2 | Low | 79 | Confident | 149 Ų | 149 | 98.8 Ų | 98.8 | 69% | 0.69 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -83.6 | -35.9 | 170.1 | -78 | 77.4 | 0 | 0 | 0 | 112.8 | A199 E200 F201 | A199-H203 PolarHBondContact O-ND1 3.46Å; E200-H203 PolarHBondContact O-N 3.1Å; F201-H203 VanDerWaalsContact C-N 3.3Å; F201-H203 PolarHBondContact O-N 2.98Å |
| 204 | H | 75.5 | Confident | 79.2 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | | | trans | -134.4 | 90.8 | -172.7 | -66.5 | -21.3 | 0 | 0 | 0 | 111.3 | E200 F201 Y206 L207 | E200-H204 PolarHBondContact O-N 2.98Å; E200-H204 IonicContact OE1-CD2 3.57Å; E200-H204 PolarHBondContact OE1-CD2 3.02Å; F201-H204 CarbonylContact O-C 3.27Å; F201-H204 VanDerWaalsContact O-C 3.27Å; F201-H204 PolarHBondContact O-N 2.87Å; H204-Y206 PolarHBondContact O-N 3.37Å; H204-L207 HydrophobicContact CB-CD2 3.67Å |
| 205 | N | 71.9 | Confident | 79 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -52.9 | -26.7 | 176.2 | -90.3 | -98.8 | 0 | 0 | 0 | 113.3 | F201 | F201-N205 WeakPolarHBondContact CE2-O 3.5Å; F201-N205 PolarHBondContact O-N 3.42Å |
| 206 | Y | 79.2 | Confident | 78.8 | Confident | 209 Ų | 209 | 90.1 Ų | 90.1 | 82% | 0.82 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -132.4 | 114.5 | 173.1 | -58.2 | -76.2 | 0 | 0 | 0 | 110.4 | H204 | H204-Y206 PolarHBondContact O-N 3.37Š|
| 207 | L | 79.8 | Confident | 78.7 | Confident | 38 Ų | 38 | 89 Ų | 89 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | | | trans | -84 | 122.4 | 179.6 | -59.5 | 172.2 | 0 | 0 | 0 | 111 | E200 H204 R211 R212 I215 | E200-L207 HydrophobicContact CG-CD2 4.12Å; H204-L207 HydrophobicContact CB-CD2 3.67Å; L207-R211 HydrophobicContact CD2-CG 3.85Å; L207-R212 HydrophobicContact CB-CG 3.58Å; L207-R212 HydrophobicContact CD1-CG 4.11Å; L207-R212 PolarHBondContact O-NE 3.25Å; L207-R212 PolarHBondContact O-NH2 3.05Å; L207-R212 VanDerWaalsContact O-NH2 3.1Å; L207-I215 HydrophobicContact CD1-CD1 3.7Å; L207-I215 HydrophobicContact CD2-CD1 4Å; L207-I215 HydrophobicContact CG-CD1 4.44Å |
| 208 | T | 84.7 | Confident | 78.6 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | | | trans | -59.1 | 162.7 | 172.1 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | L210 R211 R212 | T208-L210 PolarHBondContact O-N 2.83Å; T208-R211 PolarHBondContact O-N 3.02Å; T208-R211 WeakPolarHBondContact OG1-CB 3.37Å; T208-R211 PolarHBondContact OG1-N 3.32Å; T208-R211 VanDerWaalsContact OG1-N 3.17Å; T208-R212 PolarHBondContact O-N 3.4Å |
| 209 | R | 78.3 | Confident | 78.4 | Confident | 198 Ų | 198 | 88 Ų | 88 | 75% | 0.747 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.4 | -36.2 | 178.4 | -177.3 | 171.5 | 178.6 | 147.9 | -1.5 | 112.4 | Y213 W231 | R209-Y213 PolarHBondContact O-N 2.93Å; R209-W231 HydrophobicContact CB-CH2 4.15Å; R209-W231 HydrophobicContact CB-CZ2 4.2Å; R209-W231 HydrophobicContact CG-CH2 4.15Å; R209-W231 HydrophobicContact CG-CZ2 3.99Å |
| 210 | L | 81.9 | Confident | 77.8 | Confident | 113 Ų | 113 | 93.2 Ų | 93.2 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.1 | -47.7 | 176.8 | -175.1 | 63.5 | 0 | 0 | 0 | 111.2 | T208 R212 Y213 E214 | T208-L210 PolarHBondContact O-N 2.83Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.73Å; L210-Y213 WeakPolarHBondContact O-CA 3.29Å; L210-Y213 WeakPolarHBondContact O-CB 3.14Å; L210-Y213 PolarHBondContact O-N 3.12Å; L210-E214 PolarHBondContact O-N 3.34Å |
| 211 | R | 81.6 | Confident | 77.3 | Confident | 82 Ų | 82 | 92.6 Ų | 92.6 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.9 | -166.8 | 56.7 | 169.1 | -179.9 | 1.8 | 112.4 | E200 L207 T208 Y213 E214 I215 | E200-R211 IonicContact OE1-CZ 3.76Å; E200-R211 IonicContact OE1-NE 3.21Å; E200-R211 PolarHBondContact OE1-NE 3.42Å; E200-R211 IonicContact OE1-NH2 3.4Å; E200-R211 PolarHBondContact OE1-NH2 3.06Å; E200-R211 IonicContact OE2-CZ 2.85Å; E200-R211 IonicContact OE2-NE 3.81Å; E200-R211 IonicContact OE2-NH2 3.87Å; E200-R211 PolarHBondContact OE2-NH2 3.32Å; L207-R211 HydrophobicContact CD2-CG 3.85Å; T208-R211 PolarHBondContact O-N 3.02Å; T208-R211 WeakPolarHBondContact OG1-CB 3.37Å; T208-R211 PolarHBondContact OG1-N 3.32Å; T208-R211 VanDerWaalsContact OG1-N 3.17Å; R211-Y213 VanDerWaalsContact C-N 3.26Å; R211-Y213 PolarHBondContact O-N 3.22Å; R211-E214 WeakPolarHBondContact CD-OE2 3.33Å; R211-E214 IonicContact CZ-OE2 3.95Å; R211-E214 IonicContact NE-OE2 2.73Å; R211-E214 IonicContact NH1-OE2 2.83Å; R211-E214 PolarHBondContact NH1-OE2 3.34Å; R211-E214 PolarHBondContact O-N 3.4Å; R211-I215 HydrophobicContact CG-CD1 4.04Å; R211-I215 VanDerWaalsContact O-CD1 3.23Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 WeakPolarHBondContact O-CG1 3.49Å; R211-I215 PolarHBondContact O-N 2.89Å; R211-I215 VanDerWaalsContact O-N 3.12Å |
| 212 | R | 80.6 | Confident | 76.8 | Confident | 57 Ų | 57 | 91.6 Ų | 91.6 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63 | -28.2 | 172.5 | -82.1 | -175.3 | -87.5 | 179.7 | -7.2 | 114.2 | L207 T208 L210 A216 L227 W231 | L207-R212 HydrophobicContact CB-CG 3.58Å; L207-R212 HydrophobicContact CD1-CG 4.11Å; L207-R212 PolarHBondContact O-NE 3.25Å; L207-R212 PolarHBondContact O-NH2 3.05Å; L207-R212 VanDerWaalsContact O-NH2 3.1Å; T208-R212 PolarHBondContact O-N 3.4Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.73Å; R212-A216 VanDerWaalsContact O-CB 3.32Å; R212-A216 WeakPolarHBondContact O-CB 3.46Å; R212-A216 PolarHBondContact O-N 2.99Å; R212-L227 HydrophobicContact CB-CD2 4.19Å; R212-W231 VanDerWaalsContact NH1-CZ2 3.29Å |
| 213 | Y | 80.6 | Confident | 75.9 | Confident | 127 Ų | 127 | 89 Ų | 89 | 50% | 0.498 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -76.3 | -50.1 | 175.1 | 176.2 | -114.2 | 0 | 0 | 0 | 110.4 | R209 L210 R211 I215 A216 V217 E223 | R209-Y213 PolarHBondContact O-N 2.93Å; L210-Y213 WeakPolarHBondContact O-CA 3.29Å; L210-Y213 WeakPolarHBondContact O-CB 3.14Å; L210-Y213 PolarHBondContact O-N 3.12Å; R211-Y213 VanDerWaalsContact C-N 3.26Å; R211-Y213 PolarHBondContact O-N 3.22Å; Y213-I215 VanDerWaalsContact C-N 3.3Å; Y213-I215 PolarHBondContact O-N 3.09Å; Y213-A216 PolarHBondContact O-N 3.1Å; Y213-V217 HydrophobicContact CD2-CG2 4.1Å; Y213-V217 HydrophobicContact CE1-CG2 4.14Å; Y213-V217 HydrophobicContact CE2-CG2 3.62Å; Y213-V217 WeakPolarHBondContact O-CG2 3.44Å; Y213-V217 PolarHBondContact O-N 3.04Å; Y213-E223 WeakPolarHBondContact CD2-OE1 3.23Å; Y213-E223 WeakPolarHBondContact CE2-OE1 3.22Å |
| 214 | E | 82.4 | Confident | 75.4 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -50.7 | -47.7 | 176.2 | -66.9 | 169.3 | -176.4 | 0 | 0 | 112.5 | L210 R211 A216 N218 | L210-E214 PolarHBondContact O-N 3.34Å; R211-E214 WeakPolarHBondContact CD-OE2 3.33Å; R211-E214 IonicContact CZ-OE2 3.95Å; R211-E214 IonicContact NE-OE2 2.73Å; R211-E214 IonicContact NH1-OE2 2.83Å; R211-E214 PolarHBondContact NH1-OE2 3.34Å; R211-E214 PolarHBondContact O-N 3.4Å; E214-A216 PolarHBondContact O-N 3.02Å; E214-N218 WeakPolarHBondContact O-CB 3.26Å; E214-N218 PolarHBondContact O-N 3.49Å; E214-N218 PolarHBondContact O-OD1 2.91Å |
| 215 | I | 79.8 | Confident | 74.5 | Confident | 18 Ų | 18 | 92.6 Ų | 92.6 | 9% | 0.092 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 178.7 | -58.9 | 155.8 | 0 | 0 | 0 | 111.9 | L197 E200 L207 R211 Y213 L219 | L197-I215 HydrophobicContact CD2-CG2 3.75Å; E200-I215 HydrophobicContact CB-CD1 4.41Å; E200-I215 HydrophobicContact CG-CD1 3.43Å; E200-I215 VanDerWaalsContact CG-CD1 3.43Å; E200-I215 HydrophobicContact CG-CG1 3.94Å; L207-I215 HydrophobicContact CD1-CD1 3.7Å; L207-I215 HydrophobicContact CD2-CD1 4Å; L207-I215 HydrophobicContact CG-CD1 4.44Å; R211-I215 HydrophobicContact CG-CD1 4.04Å; R211-I215 VanDerWaalsContact O-CD1 3.23Å; R211-I215 WeakPolarHBondContact O-CD1 3.31Å; R211-I215 WeakPolarHBondContact O-CG1 3.49Å; R211-I215 PolarHBondContact O-N 2.89Å; R211-I215 VanDerWaalsContact O-N 3.12Å; Y213-I215 VanDerWaalsContact C-N 3.3Å; Y213-I215 PolarHBondContact O-N 3.09Å; I215-L219 HydrophobicContact CG2-CD1 3.73Å; I215-L219 HydrophobicContact CG2-CG 4.3Å; I215-L219 WeakPolarHBondContact O-CB 3.33Å; I215-L219 WeakPolarHBondContact O-CG 3.31Å; I215-L219 PolarHBondContact O-N 3.45Å; I215-L219 VanDerWaalsContact O-N 3.09Å |
| 216 | A | 79.1 | Confident | 74.2 | Confident | 7 Ų | 7 | 90.9 Ų | 90.9 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -72.8 | -36.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R212 Y213 E214 L221 E223 L227 | R212-A216 VanDerWaalsContact O-CB 3.32Å; R212-A216 WeakPolarHBondContact O-CB 3.46Å; R212-A216 PolarHBondContact O-N 2.99Å; Y213-A216 PolarHBondContact O-N 3.1Å; E214-A216 PolarHBondContact O-N 3.02Å; A216-L221 PolarHBondContact O-N 3.27Å; A216-E223 HydrophobicContact CB-CB 4.37Å; A216-E223 HydrophobicContact CB-CG 3.84Å; A216-E223 WeakPolarHBondContact CB-OE1 3.21Å; A216-L227 HydrophobicContact CB-CD1 4.38Å |
| 217 | V | 78.9 | Confident | 73.2 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -52.1 | 168.7 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | Y213 L219 D220 E223 | Y213-V217 HydrophobicContact CD2-CG2 4.1Å; Y213-V217 HydrophobicContact CE1-CG2 4.14Å; Y213-V217 HydrophobicContact CE2-CG2 3.62Å; Y213-V217 WeakPolarHBondContact O-CG2 3.44Å; Y213-V217 PolarHBondContact O-N 3.04Å; V217-L219 PolarHBondContact O-N 3.48Å; V217-D220 PolarHBondContact O-N 3.02Å; V217-D220 VanDerWaalsContact O-N 3.11Å; V217-E223 VanDerWaalsContact CG2-OE1 3.32Å; V217-E223 WeakPolarHBondContact CG2-OE1 3.5Å |
| 218 | N | 77.5 | Confident | 72.2 | Confident | 125 Ų | 125 | 87.5 Ų | 87.5 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.9 | -28.7 | -176 | -72.8 | 7.2 | 0 | 0 | 0 | 113.8 | E214 | E214-N218 WeakPolarHBondContact O-CB 3.26Å; E214-N218 PolarHBondContact O-N 3.49Å; E214-N218 PolarHBondContact O-OD1 2.91Å |
| 219 | L | 77.1 | Confident | 71.2 | Confident | 12 Ų | 12 | 86.8 Ų | 86.8 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.2 | 179.9 | -69.4 | -179.6 | 0 | 0 | 0 | 114.4 | Q193 E196 L197 I215 V217 L221 | Q193-L219 HydrophobicContact CG-CB 4.34Å; Q193-L219 HydrophobicContact CG-CD2 4.13Å; Q193-L219 PolarHBondContact NE2-O 3.41Å; E196-L219 HydrophobicContact CB-CD2 3.94Å; E196-L219 VanDerWaalsContact CD-CD2 3.42Å; E196-L219 HydrophobicContact CG-CD2 4.27Å; E196-L219 VanDerWaalsContact OE2-CD2 3.26Å; E196-L219 WeakPolarHBondContact OE2-CD2 3.08Å; L197-L219 HydrophobicContact CD1-CD1 4.39Å; L197-L219 HydrophobicContact CD2-CD1 4.15Å; L197-L219 HydrophobicContact CG-CD1 3.9Å; I215-L219 HydrophobicContact CG2-CD1 3.73Å; I215-L219 HydrophobicContact CG2-CG 4.3Å; I215-L219 WeakPolarHBondContact O-CB 3.33Å; I215-L219 WeakPolarHBondContact O-CG 3.31Å; I215-L219 PolarHBondContact O-N 3.45Å; I215-L219 VanDerWaalsContact O-N 3.09Å; V217-L219 PolarHBondContact O-N 3.48Å; L219-L221 HydrophobicContact CB-CD1 3.92Å; L219-L221 HydrophobicContact CB-CG 3.8Å; L219-L221 HydrophobicContact CD1-CD1 4.13Å; L219-L221 PolarHBondContact O-N 2.94Å |
| 220 | D | 69.4 | Low | 70.4 | Confident | 151 Ų | 151 | 80.6 Ų | 80.6 | 81% | 0.807 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 37.6 | -175 | -81.7 | -46.5 | 0 | 0 | 0 | 113.1 | V217 | V217-D220 PolarHBondContact O-N 3.02Å; V217-D220 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 66.8 | Low | 69.2 | Low | 24 Ų | 24 | 79 Ų | 79 | 13% | 0.126 | 37% | 0.374 | C | S | . | . | | | trans | -68.8 | 159.6 | 177.7 | -69 | 167.2 | 0 | 0 | 0 | 108.7 | F189 Q193 A216 L219 E223 R226 | F189-L221 HydrophobicContact CD1-CD2 3.72Å; F189-L221 HydrophobicContact CE1-CD2 3.97Å; Q193-L221 HydrophobicContact CG-CD2 4.5Å; A216-L221 PolarHBondContact O-N 3.27Å; L219-L221 HydrophobicContact CB-CD1 3.92Å; L219-L221 HydrophobicContact CB-CG 3.8Å; L219-L221 HydrophobicContact CD1-CD1 4.13Å; L219-L221 PolarHBondContact O-N 2.94Å; L221-E223 WeakPolarHBondContact O-CB 3.49Å; L221-E223 PolarHBondContact O-N 2.82Å; L221-R226 VanDerWaalsContact CD1-NH1 3.31Å |
| 222 | T | 62.6 | Low | 67.9 | Low | 94 Ų | 94 | 81.8 Ų | 81.8 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | | | trans | -68.4 | 20.2 | 167.4 | 51 | 0 | 0 | 0 | 0 | 113.6 | R224 Q225 | T222-R224 PolarHBondContact O-N 3.03Å; T222-Q225 WeakPolarHBondContact O-CB 3.35Å; T222-Q225 PolarHBondContact O-N 3.07Å |
| 223 | E | 59.2 | Low | 66.8 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 38.1 | -78 | 157.9 | -173.1 | 162.4 | -135.5 | 0 | 0 | 116.7 | Y213 A216 V217 L221 Q225 R226 L227 | Y213-E223 WeakPolarHBondContact CD2-OE1 3.23Å; Y213-E223 WeakPolarHBondContact CE2-OE1 3.22Å; A216-E223 HydrophobicContact CB-CB 4.37Å; A216-E223 HydrophobicContact CB-CG 3.84Å; A216-E223 WeakPolarHBondContact CB-OE1 3.21Å; V217-E223 VanDerWaalsContact CG2-OE1 3.32Å; V217-E223 WeakPolarHBondContact CG2-OE1 3.5Å; L221-E223 WeakPolarHBondContact O-CB 3.49Å; L221-E223 PolarHBondContact O-N 2.82Å; E223-Q225 PolarHBondContact O-N 2.91Å; E223-Q225 VanDerWaalsContact O-N 3.13Å; E223-R226 PolarHBondContact O-N 3.27Å; E223-L227 HydrophobicContact CG-CD1 4.22Å; E223-L227 WeakPolarHBondContact O-CB 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å |
| 224 | R | 55.8 | Low | 65.6 | Low | 228 Ų | 228 | 81.5 Ų | 81.5 | 86% | 0.86 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.2 | -35.4 | 174.3 | -81.8 | -175.7 | 172.9 | 138.9 | 1 | 112.1 | T222 F228 | T222-R224 PolarHBondContact O-N 3.03Å; R224-F228 WeakPolarHBondContact O-CB 3.45Å; R224-F228 PolarHBondContact O-N 3.36Å |
| 225 | Q | 57.4 | Low | 64.1 | Low | 88 Ų | 88 | 83.7 Ų | 83.7 | 41% | 0.411 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -75.5 | -49.1 | -173.3 | -150 | 126 | 107 | 0 | 0 | 112.4 | T222 E223 S229 | T222-Q225 WeakPolarHBondContact O-CB 3.35Å; T222-Q225 PolarHBondContact O-N 3.07Å; E223-Q225 PolarHBondContact O-N 2.91Å; E223-Q225 VanDerWaalsContact O-N 3.13Å; Q225-S229 WeakPolarHBondContact O-CB 3.09Å; Q225-S229 PolarHBondContact O-N 3.12Å; Q225-S229 PolarHBondContact O-OG 3.01Å; Q225-S229 VanDerWaalsContact O-OG 3.14Å |
| 226 | R | 64.9 | Low | 62.6 | Low | 67 Ų | 67 | 89.4 Ų | 89.4 | 25% | 0.253 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 179 | -166.6 | -175.6 | -175.3 | 168.2 | 2 | 111.2 | F189 L221 E223 L230 | F189-R226 HydrophobicContact CE1-CG 4.45Å; F189-R226 VanDerWaalsContact CE1-NH1 3.25Å; F189-R226 VanDerWaalsContact CE2-NH2 3.26Å; F189-R226 HydrophobicContact CZ-CG 4.12Å; L221-R226 VanDerWaalsContact CD1-NH1 3.31Å; E223-R226 PolarHBondContact O-N 3.27Å; R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 3.4Å |
| 227 | L | 59.5 | Low | 60.9 | Low | 40 Ų | 40 | 94.4 Ų | 94.4 | 21% | 0.209 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 173.7 | -65.8 | 174 | 0 | 0 | 0 | 111 | R212 A216 E223 S229 L230 W231 | R212-L227 HydrophobicContact CB-CD2 4.19Å; A216-L227 HydrophobicContact CB-CD1 4.38Å; E223-L227 HydrophobicContact CG-CD1 4.22Å; E223-L227 WeakPolarHBondContact O-CB 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.44Å; E223-L227 PolarHBondContact O-N 3.41Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-S229 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 3.17Å; L227-W231 WeakPolarHBondContact O-CB 3.25Å; L227-W231 PolarHBondContact O-N 3.16Å |
| 228 | F | 59.2 | Low | 59 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55.2 | -49.2 | 174.4 | -177.8 | -96.6 | 0 | 0 | 0 | 111.4 | R224 L230 F232 | R224-F228 WeakPolarHBondContact O-CB 3.45Å; R224-F228 PolarHBondContact O-N 3.36Å; F228-L230 PolarHBondContact O-N 3Å; F228-F232 HydrophobicContact CE2-CD2 4.11Å; F228-F232 HydrophobicContact CE2-CE2 4.5Å; F228-F232 AromaticContact CZ-CD2 3.95Å; F228-F232 HydrophobicContact CZ-CD2 3.95Å; F228-F232 HydrophobicContact CZ-CE2 4.28Å; F228-F232 VanDerWaalsContact O-CB 3.29Å; F228-F232 WeakPolarHBondContact O-CB 3.36Å; F228-F232 PolarHBondContact O-N 3.04Å |
| 229 | S | 62.5 | Low | 57 | Low | 77 Ų | 77 | 106 Ų | 106 | 54% | 0.538 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 114.2 | Q225 L227 G233 | Q225-S229 WeakPolarHBondContact O-CB 3.09Å; Q225-S229 PolarHBondContact O-N 3.12Å; Q225-S229 PolarHBondContact O-OG 3.01Å; Q225-S229 VanDerWaalsContact O-OG 3.14Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-S229 PolarHBondContact O-N 2.85Å; S229-G233 PolarHBondContact O-N 3.22Å |
| 230 | L | 62.4 | Low | 56 | Low | 67 Ų | 67 | 110.7 Ų | 110.7 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.6 | -42.7 | 179.2 | -175.5 | 67.2 | 0 | 0 | 0 | 111.5 | R226 L227 F228 G233 Q234 | R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 3.4Å; L227-L230 PolarHBondContact O-N 3.17Å; F228-L230 PolarHBondContact O-N 3Å; L230-G233 PolarHBondContact O-N 3.37Å; L230-Q234 HydrophobicContact CD1-CG 4.02Å; L230-Q234 VanDerWaalsContact O-CB 3.31Å; L230-Q234 WeakPolarHBondContact O-CB 3.43Å; L230-Q234 PolarHBondContact O-N 2.79Å |
| 231 | W | 56.8 | Low | 55.3 | Low | 80 Ų | 80 | 108.5 Ų | 108.5 | 30% | 0.303 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.8 | -37.9 | 178.3 | -72.5 | 71.6 | 0 | 0 | 0 | 111.5 | R209 R212 L227 G233 N235 | R209-W231 HydrophobicContact CB-CH2 4.15Å; R209-W231 HydrophobicContact CB-CZ2 4.2Å; R209-W231 HydrophobicContact CG-CH2 4.15Å; R209-W231 HydrophobicContact CG-CZ2 3.99Å; R212-W231 VanDerWaalsContact NH1-CZ2 3.29Å; L227-W231 WeakPolarHBondContact O-CB 3.25Å; L227-W231 PolarHBondContact O-N 3.16Å; W231-G233 VanDerWaalsContact C-N 3.28Å; W231-G233 PolarHBondContact O-N 2.87Å; W231-N235 WeakPolarHBondContact O-CB 3.34Å; W231-N235 PolarHBondContact O-N 2.92Å; W231-N235 PolarHBondContact O-ND2 3.48Å |
| 232 | F | 54 | Low | 54.6 | Low | 141 Ų | 141 | 113.2 Ų | 113.2 | 62% | 0.618 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.3 | -24.8 | 173.7 | -134.8 | -85.3 | 0 | 0 | 0 | 112.5 | F228 | F228-F232 HydrophobicContact CE2-CD2 4.11Å; F228-F232 HydrophobicContact CE2-CE2 4.5Å; F228-F232 AromaticContact CZ-CD2 3.95Å; F228-F232 HydrophobicContact CZ-CD2 3.95Å; F228-F232 HydrophobicContact CZ-CE2 4.28Å; F228-F232 VanDerWaalsContact O-CB 3.29Å; F228-F232 WeakPolarHBondContact O-CB 3.36Å; F228-F232 PolarHBondContact O-N 3.04Å |
| 233 | G | 57.5 | Low | 54.2 | Low | 54 Ų | 54 | 114.4 Ų | 114.4 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -90.1 | -25.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S229 L230 W231 | S229-G233 PolarHBondContact O-N 3.22Å; L230-G233 PolarHBondContact O-N 3.37Å; W231-G233 VanDerWaalsContact C-N 3.28Å; W231-G233 PolarHBondContact O-N 2.87Å |
| 234 | Q | 54.7 | Low | 53.9 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -98.5 | -3.7 | -179.8 | -75.1 | -174.7 | -37.5 | 0 | 0 | 114.6 | L230 | L230-Q234 HydrophobicContact CD1-CG 4.02Å; L230-Q234 VanDerWaalsContact O-CB 3.31Å; L230-Q234 WeakPolarHBondContact O-CB 3.43Å; L230-Q234 PolarHBondContact O-N 2.79Å |
| 235 | N | 50 | Low | 53.7 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -102.1 | 3.8 | 175.2 | -70.2 | -89.1 | 0 | 0 | 0 | 113.6 | W231 V237 | W231-N235 WeakPolarHBondContact O-CB 3.34Å; W231-N235 PolarHBondContact O-N 2.92Å; W231-N235 PolarHBondContact O-ND2 3.48Å; N235-V237 VanDerWaalsContact C-N 3.28Å; N235-V237 PolarHBondContact O-N 3.15Å |
| 236 | D | 49.1 | Very low | 53.5 | Low | 137 Ų | 137 | 112.8 Ų | 112.8 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | | | trans | -92.8 | 30.4 | 175.2 | -107.4 | -29.8 | 0 | 0 | 0 | 112.6 | | |
| 237 | V | 44.4 | Very low | 52.6 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -121.1 | 89.8 | 174.1 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | N235 | N235-V237 VanDerWaalsContact C-N 3.28Å; N235-V237 PolarHBondContact O-N 3.15Å |
| 238 | Q | 38.1 | Very low | 52 | Low | 183 Ų | 183 | 122.7 Ų | 122.7 | 86% | 0.855 | 64% | 0.643 | S | S | * | * | | | trans | 69.5 | 103.7 | 160.6 | -55.9 | -163 | -94.8 | 0 | 0 | 119 | | |
| 239 | L | 35.4 | Very low | 51.4 | Low | 243 Ų | 243 | 121.5 Ų | 121.5 | 100% | 1.272 | 65% | 0.647 | S | S | * | * | | | | -64.9 | 0 | 127.3 | -76.7 | 164.3 | 0 | 0 | 0 | 110.5 | | |