| 1 | M | 43.4 | Very low | 42 | Very low | 242 Ų | 242 | 145.6 Ų | 145.6 | 100% | 1.192 | 82% | 0.821 | S | S | * | * | | | | 0 | 140.7 | 0 | -80.7 | -170.3 | 151 | 0 | 0 | 108.2 | | |
| 2 | L | 43.9 | Very low | 42 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 94% | 0.942 | 82% | 0.817 | S | S | * | * | | | trans | 84.1 | 91.8 | -168.7 | -59.4 | 169.1 | 0 | 0 | 0 | 114.9 | | |
| 3 | S | 39.8 | Very low | 42 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | | | trans | -81.7 | 132.3 | 179.5 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | T | 42.8 | Very low | 41.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -73.9 | 116.6 | 171.1 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | V6 | T4-V6 PolarHBondContact O-N 3.37Š|
| 5 | N | 45.6 | Very low | 41.8 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -81.6 | 106 | 169.9 | -81.6 | -24 | 0 | 0 | 0 | 110 | | |
| 6 | V | 42.6 | Very low | 41.9 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | trans | -77.5 | 111.8 | 163.9 | 176.5 | 0 | 0 | 0 | 0 | 107.3 | T4 S8 | T4-V6 PolarHBondContact O-N 3.37Å; V6-S8 PolarHBondContact O-N 3.17Å |
| 7 | I | 43.7 | Very low | 42.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -89.4 | 100.8 | 173.8 | -63.1 | 170.6 | 0 | 0 | 0 | 108.1 | | |
| 8 | S | 35.8 | Very low | 42.2 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -101.5 | 109.5 | 164 | 52.9 | 0 | 0 | 0 | 0 | 109.2 | V6 | V6-S8 PolarHBondContact O-N 3.17Š|
| 9 | K | 45.5 | Very low | 42.3 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | -150 | 94.3 | 165.1 | -69.4 | -167 | 179.6 | 179 | 0 | 108.6 | | |
| 10 | T | 41.8 | Very low | 42.5 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | | 70.9 | 114.9 | 90.2 | 56.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 11 | S | 37.4 | Very low | 42.7 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 81.6 | 118.9 | 152.2 | -158.6 | 0 | 0 | 0 | 0 | 119.8 | V13 | S11-V13 PolarHBondContact O-N 2.95Š|
| 12 | P | 42.1 | Very low | 42.7 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | -76.3 | 109.7 | 164 | 32.2 | -26.7 | 0 | 0 | 0 | 108.1 | C14 | P12-C14 PolarHBondContact O-N 3.4Å; P12-C14 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 41.8 | Very low | 42.4 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 73% | 0.725 | S | S | * | * | | | trans | -60.2 | 116.6 | 172.3 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | S11 I15 | S11-V13 PolarHBondContact O-N 2.95Å; V13-I15 PolarHBondContact O-N 3.42Å |
| 14 | C | 38.3 | Very low | 42.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | | | trans | -51.7 | 102.7 | 168 | -78.2 | 0 | 0 | 0 | 0 | 109.5 | P12 S16 | P12-C14 PolarHBondContact O-N 3.4Å; P12-C14 VanDerWaalsContact O-N 3.12Å; C14-S16 PolarHBondContact O-N 3.3Å; C14-S16 VanDerWaalsContact O-N 3.08Å |
| 15 | I | 42.8 | Very low | 42.6 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | | | trans | -70.5 | 104.5 | 167.8 | -54.4 | 172.8 | 0 | 0 | 0 | 105.7 | V13 L19 | V13-I15 PolarHBondContact O-N 3.42Å; I15-L19 HydrophobicContact CG2-CB 4.27Å; I15-L19 HydrophobicContact CG2-CD1 4.08Å |
| 16 | S | 43.8 | Very low | 42.5 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 47% | 0.469 | 73% | 0.725 | S | S | . | * | | | trans | -52.4 | 142.4 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | C14 E18 L19 | C14-S16 PolarHBondContact O-N 3.3Å; C14-S16 VanDerWaalsContact O-N 3.08Å; S16-E18 PolarHBondContact O-N 2.81Å; S16-L19 PolarHBondContact O-N 2.91Å |
| 17 | E | 46.8 | Very low | 42.5 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -11.2 | 179.6 | -75.9 | -177.6 | 130 | 0 | 0 | 114.5 | R20 R21 | E17-R20 PolarHBondContact O-N 2.84Å; E17-R20 IonicContact OE1-NH1 3.81Å; E17-R21 PolarHBondContact O-N 3.11Å |
| 18 | E | 41.2 | Very low | 42.5 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -68.2 | -35.4 | 174.9 | -77 | -171.6 | 136.8 | 0 | 0 | 113.4 | S16 R20 R21 L22 | S16-E18 PolarHBondContact O-N 2.81Å; E18-R20 PolarHBondContact O-N 2.99Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact O-N 3.15Å; E18-L22 WeakPolarHBondContact O-CD1 3.35Å; E18-L22 PolarHBondContact O-N 2.85Å |
| 19 | L | 45.7 | Very low | 42.9 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -72.6 | -19 | 175.6 | -84.9 | 163.2 | 0 | 0 | 0 | 112.7 | I15 S16 R21 | I15-L19 HydrophobicContact CG2-CB 4.27Å; I15-L19 HydrophobicContact CG2-CD1 4.08Å; S16-L19 PolarHBondContact O-N 2.91Å; L19-R21 VanDerWaalsContact C-N 3.33Å |
| 20 | R | 45.3 | Very low | 42.7 | Very low | 188 Ų | 188 | 138 Ų | 138 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -77.4 | -20.5 | 173 | -143.8 | -176.5 | -67.7 | 148 | 0.8 | 112.1 | E17 E18 | E17-R20 PolarHBondContact O-N 2.84Å; E17-R20 IonicContact OE1-NH1 3.81Å; E18-R20 PolarHBondContact O-N 2.99Å |
| 21 | R | 46.5 | Very low | 42.7 | Very low | 216 Ų | 216 | 139 Ų | 139 | 82% | 0.815 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -93.4 | -20.7 | 179.6 | -69.6 | -176.7 | 177.4 | 172.8 | 1.1 | 114 | E17 E18 L19 | E17-R21 PolarHBondContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact O-N 3.15Å; L19-R21 VanDerWaalsContact C-N 3.33Å |
| 22 | L | 44 | Very low | 43.2 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87.1 | -1.8 | 177.9 | -92.6 | 112.6 | 0 | 0 | 0 | 115.2 | E18 | E18-L22 WeakPolarHBondContact O-CD1 3.35Å; E18-L22 PolarHBondContact O-N 2.85Å |
| 23 | G | 38.2 | Very low | 43.4 | Very low | 61 Ų | 61 | 149.4 Ų | 149.4 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -100.9 | 26.1 | -168 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 24 | R | 42.1 | Very low | 43.5 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | | | trans | -149.4 | 67.5 | 173.7 | -73.7 | -168.8 | 175.6 | 173.7 | -2.6 | 113.2 | H26 | R24-H26 PolarHBondContact O-N 3.48Š|
| 25 | K | 43.6 | Very low | 43.7 | Very low | 209 Ų | 209 | 147.9 Ų | 147.9 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | | | trans | -78.7 | 95.7 | 155.9 | -76 | -174.5 | 179.7 | -179.9 | 0 | 107.4 | F27 | K25-F27 PolarHBondContact O-N 3.01Š|
| 26 | H | 43.3 | Very low | 44.3 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | | | trans | -57.7 | 108.4 | 171.6 | -71.9 | -71.6 | 0 | 0 | 0 | 108.9 | R24 N28 | R24-H26 PolarHBondContact O-N 3.48Å; H26-N28 VanDerWaalsContact C-N 3.27Å; H26-N28 PolarHBondContact O-N 3.47Å |
| 27 | F | 42.5 | Very low | 44.4 | Very low | 171 Ų | 171 | 154 Ų | 154 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | | | trans | -70.4 | 91.8 | 165.8 | -168.1 | -103.4 | 0 | 0 | 0 | 106.6 | K25 Q29 | K25-F27 PolarHBondContact O-N 3.01Å; F27-Q29 HydrophobicContact CD1-CB 3.72Å; F27-Q29 HydrophobicContact CD1-CG 4.46Å; F27-Q29 HydrophobicContact CE1-CB 3.68Å; F27-Q29 HydrophobicContact CE1-CG 3.92Å; F27-Q29 PolarHBondContact O-N 3.48Å |
| 28 | N | 43.7 | Very low | 43.9 | Very low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | -68.9 | 75.3 | 170.8 | -78 | -23 | 0 | 0 | 0 | 108.5 | H26 A30 | H26-N28 VanDerWaalsContact C-N 3.27Å; H26-N28 PolarHBondContact O-N 3.47Å; N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 3Å |
| 29 | Q | 43.8 | Very low | 44.1 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 57% | 0.57 | 75% | 0.753 | S | S | * | * | | | trans | -74 | 94.7 | 165 | -159.8 | 164.5 | 16.7 | 0 | 0 | 106.8 | F27 H31 | F27-Q29 HydrophobicContact CD1-CB 3.72Å; F27-Q29 HydrophobicContact CD1-CG 4.46Å; F27-Q29 HydrophobicContact CE1-CB 3.68Å; F27-Q29 HydrophobicContact CE1-CG 3.92Å; F27-Q29 PolarHBondContact O-N 3.48Å; Q29-H31 VanDerWaalsContact C-N 3.26Å; Q29-H31 PolarHBondContact O-N 3.08Å |
| 30 | A | 42.5 | Very low | 44 | Very low | 94 Ų | 94 | 152.3 Ų | 152.3 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -59.2 | 94.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | N28 K32 | N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 3Å; A30-K32 PolarHBondContact O-N 3.04Å |
| 31 | H | 42 | Very low | 43.9 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | trans | -64.1 | 106.9 | 168 | -79.9 | -80 | 0 | 0 | 0 | 107.1 | Q29 R33 | Q29-H31 VanDerWaalsContact C-N 3.26Å; Q29-H31 PolarHBondContact O-N 3.08Å; H31-R33 PolarHBondContact O-N 2.89Å |
| 32 | K | 47.5 | Very low | 43.8 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | | | trans | -46.5 | 112.1 | 165.2 | -73.8 | -176.5 | 175.2 | -175.9 | 0 | 107.2 | A30 T34 | A30-K32 PolarHBondContact O-N 3.04Å; K32-T34 PolarHBondContact O-N 3.4Å |
| 33 | R | 45.2 | Very low | 44 | Very low | 241 Ų | 241 | 146.7 Ų | 146.7 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | | | trans | -60.7 | 103.9 | 174.8 | -63.7 | 174.5 | 83 | 104.6 | -2.6 | 106.3 | H31 S35 | H31-R33 PolarHBondContact O-N 2.89Å; R33-S35 PolarHBondContact O-N 3.41Å |
| 34 | T | 44 | Very low | 44.4 | Very low | 133 Ų | 133 | 152 Ų | 152 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | -69 | 88.7 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 106.4 | K32 L36 | K32-T34 PolarHBondContact O-N 3.4Å; T34-L36 PolarHBondContact O-N 2.67Å |
| 35 | S | 42.9 | Very low | 44.4 | Very low | 80 Ų | 80 | 151.4 Ų | 151.4 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | | | trans | -59.8 | 119.7 | 166.1 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | R33 F37 | R33-S35 PolarHBondContact O-N 3.41Å; S35-F37 WeakPolarHBondContact CB-O 3.39Å; S35-F37 PolarHBondContact O-N 3.25Å; S35-F37 VanDerWaalsContact O-N 3.14Å; S35-F37 PolarHBondContact OG-N 3.31Å; S35-F37 PolarHBondContact OG-O 3.12Å |
| 36 | L | 55.7 | Low | 44.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -65.5 | -7.7 | 174.6 | -141.2 | 82.9 | 0 | 0 | 0 | 112.1 | T34 | T34-L36 PolarHBondContact O-N 2.67Š|
| 37 | F | 46.8 | Very low | 44 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -119.6 | 118.3 | 176.7 | -61 | -79.7 | 0 | 0 | 0 | 108.4 | S35 S39 | S35-F37 WeakPolarHBondContact CB-O 3.39Å; S35-F37 PolarHBondContact O-N 3.25Å; S35-F37 VanDerWaalsContact O-N 3.14Å; S35-F37 PolarHBondContact OG-N 3.31Å; S35-F37 PolarHBondContact OG-O 3.12Å; F37-S39 PolarHBondContact O-N 3.15Å |
| 38 | G | 34.5 | Very low | 44.1 | Very low | 86 Ų | 86 | 150.8 Ų | 150.8 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -62.4 | 118.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 39 | S | 46.1 | Very low | 44 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -162.4 | 81.7 | 148.4 | 60.1 | 0 | 0 | 0 | 0 | 105 | F37 | F37-S39 PolarHBondContact O-N 3.15Š|
| 40 | E | 44 | Very low | 43.9 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | | 57.4 | 95.6 | 107.6 | -67.8 | -170.6 | 171.9 | 0 | 0 | 113 | E42 | E40-E42 PolarHBondContact O-N 3.23Š|
| 41 | N | 43 | Very low | 43.8 | Very low | 164 Ų | 164 | 158.3 Ų | 158.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | | 43.8 | 32 | 114.1 | -62.5 | -22.6 | 0 | 0 | 0 | 119.7 | P43 | N41-P43 WeakPolarHBondContact O-CD 3.46Š|
| 42 | E | 44.3 | Very low | 43.5 | Very low | 178 Ų | 178 | 159.9 Ų | 159.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -85.5 | 117.4 | 161.1 | -94.1 | -171.3 | 164 | 0 | 0 | 110.4 | E40 Q44 | E40-E42 PolarHBondContact O-N 3.23Å; E42-Q44 PolarHBondContact O-N 3.16Å; E42-Q44 VanDerWaalsContact O-N 3.12Å |
| 43 | P | 47.7 | Very low | 43 | Very low | 92 Ų | 92 | 157.1 Ų | 157.1 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | | | trans | -61.6 | 115.3 | 161.6 | 25 | -28 | 0 | 0 | 0 | 107.1 | N41 Y45 | N41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-Y45 HydrophobicContact CB-CD2 4.47Å; P43-Y45 HydrophobicContact CB-CE2 4.37Å; P43-Y45 HydrophobicContact CG-CD2 4.25Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 2.82Å |
| 44 | Q | 47.1 | Very low | 42.3 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -62.5 | 93.4 | 162.7 | -86.4 | -179.3 | -23.2 | 0 | 0 | 107.3 | E42 F46 | E42-Q44 PolarHBondContact O-N 3.16Å; E42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-F46 PolarHBondContact O-N 3.06Å |
| 45 | Y | 42 | Very low | 41.7 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -60.3 | 106.3 | 157.4 | -79.3 | -88.7 | 0 | 0 | 0 | 106.1 | P43 E47 | P43-Y45 HydrophobicContact CB-CD2 4.47Å; P43-Y45 HydrophobicContact CB-CE2 4.37Å; P43-Y45 HydrophobicContact CG-CD2 4.25Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 2.82Å; Y45-E47 PolarHBondContact O-N 3.22Å |
| 46 | F | 41.4 | Very low | 41.1 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -64.2 | 95.9 | 158.3 | -88.2 | -94.3 | 0 | 0 | 0 | 106.1 | Q44 E48 | Q44-F46 PolarHBondContact O-N 3.06Å; F46-E48 VanDerWaalsContact C-N 3.27Å; F46-E48 PolarHBondContact O-N 2.72Å |
| 47 | E | 38.1 | Very low | 40.3 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | -65.5 | 94.5 | 161 | -79.9 | -175.4 | 159.6 | 0 | 0 | 107.2 | Y45 P49 | Y45-E47 PolarHBondContact O-N 3.22Å; E47-P49 WeakPolarHBondContact O-CD 3.06Å |
| 48 | E | 42.9 | Very low | 39.5 | Very low | 140 Ų | 140 | 152 Ų | 152 | 65% | 0.654 | 78% | 0.775 | S | S | * | * | | | trans | -65.7 | 121.1 | 157.9 | -74.6 | -170.2 | 164.5 | 0 | 0 | 107.7 | F46 Y50 | F46-E48 VanDerWaalsContact C-N 3.27Å; F46-E48 PolarHBondContact O-N 2.72Å; E48-Y50 PolarHBondContact O-N 3.33Å |
| 49 | P | 42.3 | Very low | 39.9 | Very low | 108 Ų | 108 | 158.6 Ų | 158.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -77.9 | 18.8 | -178.9 | 28.7 | -29 | 0 | 0 | 0 | 113.5 | E47 | E47-P49 WeakPolarHBondContact O-CD 3.06Š|
| 50 | Y | 41.6 | Very low | 39.7 | Very low | 203 Ų | 203 | 162.7 Ų | 162.7 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -143.7 | 64.8 | -173.6 | -62 | -74.5 | 0 | 0 | 0 | 112.7 | E48 | E48-Y50 PolarHBondContact O-N 3.33Š|
| 51 | R | 41.1 | Very low | 39.2 | Very low | 214 Ų | 214 | 165.5 Ų | 165.5 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -140.3 | 94.4 | 151.4 | -76.1 | -153.3 | -177.2 | -141.4 | 1.2 | 110.4 | N53 | R51-N53 PolarHBondContact O-N 2.98Š|
| 52 | E | 35.2 | Very low | 39 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -49.6 | 119.1 | 147.7 | -70.9 | 173.9 | 150.6 | 0 | 0 | 107.8 | | |
| 53 | N | 36.3 | Very low | 38.5 | Very low | 140 Ų | 140 | 165.6 Ų | 165.6 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -177.8 | 101.2 | 144.9 | -88.1 | -26.2 | 0 | 0 | 0 | 110.3 | R51 | R51-N53 PolarHBondContact O-N 2.98Š|
| 54 | T | 32.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 167.8 Ų | 167.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 53.8 | 118.5 | 131.8 | 48.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 55 | S | 30.4 | Very low | 37.5 | Very low | 97 Ų | 97 | 165.7 Ų | 165.7 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 77.2 | 107.7 | 153.4 | -178.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 56 | Y | 30.8 | Very low | 37.3 | Very low | 222 Ų | 222 | 163.9 Ų | 163.9 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | | | | -177 | 159.6 | 124.4 | -88.1 | -58.8 | 0 | 0 | 0 | 109.9 | | |
| 57 | P | 38.2 | Very low | 37.2 | Very low | 99 Ų | 99 | 166.3 Ų | 166.3 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 147.2 | -142.9 | 33.9 | -21.4 | 0 | 0 | 0 | 113.5 | Y59 | P57-Y59 PolarHBondContact O-N 3.43Š|
| 58 | T | 31.1 | Very low | 37.2 | Very low | 127 Ų | 127 | 167.3 Ų | 167.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 117.2 | 172.9 | -41.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 59 | Y | 41.4 | Very low | 37.3 | Very low | 223 Ų | 223 | 166.6 Ų | 166.6 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 119.4 | 157.5 | -93.8 | -87.9 | 0 | 0 | 0 | 110.3 | P57 | P57-Y59 PolarHBondContact O-N 3.43Š|
| 60 | K | 42 | Very low | 37 | Very low | 184 Ų | 184 | 168.8 Ų | 168.8 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 140 | -177 | -69 | 178.2 | 176.1 | 178.7 | 0 | 111.5 | | |
| 61 | Y | 34.6 | Very low | 36.9 | Very low | 233 Ų | 233 | 168.3 Ų | 168.3 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 128 | 165.8 | -81.2 | -100.4 | 0 | 0 | 0 | 112.8 | | |
| 62 | L | 39.2 | Very low | 36.9 | Very low | 169 Ų | 169 | 165.3 Ų | 165.3 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -107.5 | 109.6 | 163.3 | -106.2 | 143.7 | 0 | 0 | 0 | 109.4 | | |
| 63 | K | 32.2 | Very low | 37.2 | Very low | 175 Ų | 175 | 162 Ų | 162 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | | | trans | -69.3 | 123.7 | 177 | -164.9 | 175.2 | -169.7 | 175.1 | 0 | 109.3 | | |
| 64 | T | 41 | Very low | 37.6 | Very low | 137 Ų | 137 | 161.5 Ų | 161.5 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -122 | 110.8 | 161.1 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 65 | N | 34.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 163.6 Ų | 163.6 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | | | trans | -76.1 | 125.8 | 169.8 | -62.1 | -46.8 | 0 | 0 | 0 | 107.9 | | |
| 66 | N | 38.2 | Very low | 38.5 | Very low | 161 Ų | 161 | 167.9 Ų | 167.9 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | -125.3 | 104.2 | 153.5 | -94.6 | -16.8 | 0 | 0 | 0 | 108.1 | F68 | N66-F68 PolarHBondContact O-N 2.81Š|
| 67 | R | 38.1 | Very low | 38.7 | Very low | 235 Ų | 235 | 163.6 Ų | 163.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.1 | 167.6 | -76.5 | 179 | 173.9 | -171.6 | -2.6 | 108 | | |
| 68 | F | 39.3 | Very low | 38.8 | Very low | 205 Ų | 205 | 163.3 Ų | 163.3 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 117.7 | 152.9 | -100 | -88.4 | 0 | 0 | 0 | 107.1 | N66 | N66-F68 PolarHBondContact O-N 2.81Š|
| 69 | T | 43.9 | Very low | 39.1 | Very low | 125 Ų | 125 | 162.4 Ų | 162.4 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129.1 | 171 | 41 | 0 | 0 | 0 | 0 | 109.3 | E71 | T69-E71 PolarHBondContact O-N 2.79Š|
| 70 | D | 35.5 | Very low | 38.7 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.6 | 165 | -70.8 | -46.8 | 0 | 0 | 0 | 110.6 | | |
| 71 | E | 39.6 | Very low | 38.5 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | -137.4 | 94.2 | 148.4 | -96.6 | -174 | 174.4 | 0 | 0 | 108.6 | T69 | T69-E71 PolarHBondContact O-N 2.79Š|
| 72 | I | 41 | Very low | 38.6 | Very low | 151 Ų | 151 | 154.2 Ų | 154.2 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | | | trans | -56.5 | 136.2 | 154.8 | -60.8 | 164 | 0 | 0 | 0 | 106.7 | | |
| 73 | V | 41.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 153 Ų | 153 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 164.5 | 117.2 | 135 | 159.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 74 | N | 44 | Very low | 39 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | | | trans | 82 | 114.3 | 144.2 | -78.4 | -18.1 | 0 | 0 | 0 | 123.3 | | |
| 75 | K | 45.4 | Very low | 39 | Very low | 174 Ų | 174 | 158.1 Ų | 158.1 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | | | | 107.3 | 101.6 | 120.9 | -75.6 | 176 | -176.2 | -167.6 | 0 | 119.3 | | |
| 76 | Q | 36.8 | Very low | 39.2 | Very low | 186 Ų | 186 | 156.9 Ų | 156.9 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | 71 | 133.2 | 134.8 | -66.7 | -162.8 | -39.4 | 0 | 0 | 121.2 | | |
| 77 | P | 35.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 157 Ų | 157 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -99.1 | 141.4 | 171.6 | 37.1 | -27.9 | 0 | 0 | 0 | 111.9 | | |
| 78 | A | 40.2 | Very low | 39.5 | Very low | 93 Ų | 93 | 152.3 Ų | 152.3 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -139.7 | 111 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 79 | S | 37.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 29.8 | 119.9 | 138.8 | 59 | 0 | 0 | 0 | 0 | 121.8 | | |
| 80 | F | 32.8 | Very low | 39.1 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | | 41.4 | 120.7 | 117 | -140.4 | -92.3 | 0 | 0 | 0 | 119.8 | | |
| 81 | S | 38.1 | Very low | 39.1 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -169.3 | 130 | 133.3 | -77.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 82 | Q | 36.7 | Very low | 39.1 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -92.3 | 134.8 | 177.9 | -176.6 | 178.1 | 29.7 | 0 | 0 | 109.7 | | |
| 83 | T | 40.6 | Very low | 38.8 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -123.8 | 120 | 167.8 | 18.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 84 | R | 38.6 | Very low | 38.8 | Very low | 226 Ų | 226 | 149.1 Ų | 149.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 139.6 | 168.4 | -75 | 175.7 | 172.4 | 176 | -2.8 | 109.8 | | |
| 85 | Q | 40 | Very low | 38.5 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | trans | -129.6 | 126.2 | 143.2 | -86 | -170.4 | -9.9 | 0 | 0 | 108.7 | | |
| 86 | V | 38.9 | Very low | 38 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 62% | 0.624 | 81% | 0.814 | S | S | * | * | | | trans | -105.3 | 131.1 | 171.6 | 171.2 | 0 | 0 | 0 | 0 | 104.7 | | |
| 87 | D | 41.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | | | trans | -144.3 | 123.2 | 149.2 | -88.4 | -36.2 | 0 | 0 | 0 | 109.6 | | |
| 88 | N | 41 | Very low | 38.4 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -62.8 | 162.6 | 168.7 | -56.7 | -56.9 | 0 | 0 | 0 | 108.4 | | |
| 89 | I | 39.4 | Very low | 38.1 | Very low | 160 Ų | 160 | 158.8 Ų | 158.8 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | | | | 174.6 | 131.2 | 62.8 | -53.7 | 172.7 | 0 | 0 | 0 | 101.5 | | |
| 90 | S | 36.2 | Very low | 37.9 | Very low | 110 Ų | 110 | 164 Ų | 164 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | | 159.6 | 130.7 | 88.6 | -167.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 91 | M | 34.1 | Very low | 38 | Very low | 149 Ų | 149 | 163.5 Ų | 163.5 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -94.9 | 130.7 | 170.6 | -79.5 | -150.7 | -59.3 | 0 | 0 | 110.1 | | |
| 92 | E | 40.1 | Very low | 38.1 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -111.1 | 124.2 | 153 | -87.6 | -147.6 | 150.8 | 0 | 0 | 110.4 | | |
| 93 | H | 35.5 | Very low | 38.2 | Very low | 159 Ų | 159 | 166 Ų | 166 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | -92.7 | 130.9 | 170.5 | -75.4 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 94 | S | 40.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 168.2 Ų | 168.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -139.1 | 99.7 | 161.1 | 39.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 95 | R | 38.8 | Very low | 38 | Very low | 248 Ų | 248 | 164.5 Ų | 164.5 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | 37.8 | 117.9 | 138.6 | -63.4 | -178.1 | 176 | 179.2 | -1 | 120.3 | | |
| 96 | K | 35.2 | Very low | 37.8 | Very low | 210 Ų | 210 | 164 Ų | 164 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | | | trans | -87.5 | 149.1 | 150.5 | -71.5 | -178.7 | 176.9 | 178.2 | 0 | 111 | | |
| 97 | P | 43.7 | Very low | 38 | Very low | 131 Ų | 131 | 164.4 Ų | 164.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -110.3 | 152.7 | 149.6 | 28.1 | -14.7 | 0 | 0 | 0 | 113.1 | | |
| 98 | K | 36.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -84.7 | 160.8 | -172.4 | -88.2 | 173 | 168.8 | 178.7 | 0 | 114 | | |
| 99 | L | 33.3 | Very low | 37.7 | Very low | 137 Ų | 137 | 167.2 Ų | 167.2 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | | | trans | 68.1 | 122.6 | 139.2 | -77.4 | 160.1 | 0 | 0 | 0 | 120.3 | | |
| 100 | R | 34.1 | Very low | 37.9 | Very low | 217 Ų | 217 | 169.1 Ų | 169.1 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | | | | -160.1 | 120.3 | 120.1 | -123.7 | 174.9 | -175.4 | -172.4 | 1.6 | 112 | | |
| 101 | E | 34.7 | Very low | 37.8 | Very low | 172 Ų | 172 | 169.7 Ų | 169.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -71.5 | 146.5 | 159.9 | -66.1 | 168.6 | 157.2 | 0 | 0 | 108.7 | | |
| 102 | F | 40.2 | Very low | 38.3 | Very low | 167 Ų | 167 | 171 Ų | 171 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | | | trans | -135 | 137.6 | 162 | -102.8 | -76.1 | 0 | 0 | 0 | 110.9 | | |
| 103 | E | 39.5 | Very low | 38.2 | Very low | 172 Ų | 172 | 170.4 Ų | 170.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | -68 | 160.2 | -165.6 | -68.1 | 161.4 | 150.7 | 0 | 0 | 115.5 | | |
| 104 | H | 33.6 | Very low | 38.3 | Very low | 190 Ų | 190 | 168.4 Ų | 168.4 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | | | trans | -63.5 | 145.3 | 169.7 | -66.2 | -86 | 0 | 0 | 0 | 112.9 | | |
| 105 | T | 40.1 | Very low | 38.1 | Very low | 147 Ų | 147 | 166.8 Ų | 166.8 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | -130.8 | 125.6 | 154.1 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 106 | E | 36.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | trans | -94.6 | 142 | 177.6 | 175.3 | -178.4 | -175 | 0 | 0 | 110.2 | | |
| 107 | S | 43.1 | Very low | 38.1 | Very low | 110 Ų | 110 | 155.9 Ų | 155.9 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -157.2 | 100.5 | 162.1 | 55 | 0 | 0 | 0 | 0 | 108 | | |
| 108 | R | 39.7 | Very low | 37.7 | Very low | 215 Ų | 215 | 156.8 Ų | 156.8 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | | 45.3 | 103.7 | 97.5 | -92 | -173.7 | 157.8 | 151 | -3.1 | 113.7 | | |
| 109 | D | 35.8 | Very low | 37.9 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | | | | 92 | 112.6 | 81.4 | -90.7 | -13 | 0 | 0 | 0 | 110.7 | | |
| 110 | E | 43.3 | Very low | 38.4 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | | | trans | -163 | 133.1 | 130.9 | -109.2 | 179.7 | -160.3 | 0 | 0 | 111.9 | | |
| 111 | V | 36.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | trans | -87 | 145.1 | -179.2 | 165.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 112 | L | 42.6 | Very low | 38.9 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -159.8 | 117.6 | 139.6 | -94.9 | 178 | 0 | 0 | 0 | 111.1 | | |
| 113 | E | 38.8 | Very low | 38.7 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -51.2 | 165.7 | 156.1 | -61.7 | -179.4 | 144.4 | 0 | 0 | 110.9 | | |
| 114 | S | 37.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | cis | -176 | 164.8 | 21.1 | 36.1 | 0 | 0 | 0 | 0 | 105.3 | | |
| 115 | G | 36 | Very low | 39 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | 152.9 | 79 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 116 | S | 32.4 | Very low | 38.7 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -78.2 | 144.8 | 160.6 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 117 | S | 42.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -178.5 | 117 | 135.5 | -78 | 0 | 0 | 0 | 0 | 113.4 | | |
| 118 | D | 36.3 | Very low | 38.3 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -4 | 153.3 | 145.5 | -80.4 | -33.1 | 0 | 0 | 0 | 123.6 | | |
| 119 | S | 40 | Very low | 37.9 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | | 107.1 | 155.2 | 128.7 | 73 | 0 | 0 | 0 | 0 | 120.2 | | |
| 120 | M | 43.4 | Very low | 38 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | 85.4 | 135.1 | 168.2 | -57.5 | -70.7 | -151.7 | 0 | 0 | 115.5 | | |
| 121 | E | 40.2 | Very low | 37.4 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 52% | 0.519 | 76% | 0.757 | S | S | . | * | | | cis | 177 | 159.1 | -11.8 | -139.1 | -173.1 | 145.5 | 0 | 0 | 104.9 | | |
| 122 | R | 38.6 | Very low | 37.6 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | 72.7 | 140.7 | 145.3 | -81.8 | 179.5 | -152.6 | 154.9 | 14.6 | 120.2 | | |
| 123 | T | 36.5 | Very low | 37.1 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 59% | 0.589 | 76% | 0.758 | S | S | * | * | | | cis | 173.7 | 168.5 | -11.4 | 21.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 124 | H | 39.3 | Very low | 36.7 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | | | trans | 80 | 141.1 | 158.8 | -56.3 | -71.2 | 0 | 0 | 0 | 116.1 | | |
| 125 | E | 41.5 | Very low | 36.4 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | cis | -166.9 | 159 | 1.7 | -119.9 | 163.7 | -157 | 0 | 0 | 111 | | |
| 126 | N | 33.4 | Very low | 36.3 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -36.8 | 147.3 | 172.3 | -63.9 | -31.5 | 0 | 0 | 0 | 118.2 | | |
| 127 | A | 37.1 | Very low | 36.7 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | | | trans | -155 | 129.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 128 | H | 33.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | -77.1 | 165.6 | -171.9 | -89.9 | -100.7 | 0 | 0 | 0 | 115.8 | | |
| 129 | T | 31.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 71.8 | 138 | 146.8 | 54.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 130 | T | 38.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | | | cis | -156.6 | 139.2 | 41.9 | 11.8 | 0 | 0 | 0 | 0 | 111 | | |
| 131 | V | 31.1 | Very low | 36.2 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | trans | -80.9 | 126.9 | 159.1 | 168.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 132 | L | 39.3 | Very low | 35.9 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -129.7 | 124.9 | 159.5 | -79.7 | 176.2 | 0 | 0 | 0 | 109.1 | | |
| 133 | Q | 32.1 | Very low | 35.7 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -77.9 | 168.8 | 174.2 | -68.4 | 174.4 | -36.7 | 0 | 0 | 111.3 | | |
| 134 | S | 31.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | 96 | 129.6 | 153.4 | 76.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 135 | G | 30.9 | Very low | 36.1 | Very low | 78 Ų | 78 | 147.6 Ų | 147.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 162.3 | 56.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 136 | E | 34.6 | Very low | 36 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -63.2 | 125.5 | 159.8 | -78.7 | 172.4 | 138.9 | 0 | 0 | 108 | | |
| 137 | E | 40.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 147.5 Ų | 147.5 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | -154.8 | 97.3 | 158.8 | -110.6 | 169.8 | -155.6 | 0 | 0 | 109.5 | | |
| 138 | D | 35.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | 41.8 | 84.6 | 134 | -66.4 | -16.3 | 0 | 0 | 0 | 119.4 | | |
| 139 | N | 40 | Very low | 37 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -104.3 | 75.9 | 154.1 | -87 | -30.9 | 0 | 0 | 0 | 110.3 | H141 | N139-H141 PolarHBondContact O-N 3.21Š|
| 140 | K | 42.7 | Very low | 37.7 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -61.2 | 116.3 | 165.3 | -86.1 | -178.4 | 178.7 | 176 | 0 | 109.6 | T142 | K140-T142 PolarHBondContact O-N 2.88Š|
| 141 | H | 31.5 | Very low | 37.8 | Very low | 190 Ų | 190 | 154 Ų | 154 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -34.6 | 117.7 | 160.7 | -71.3 | -20.9 | 0 | 0 | 0 | 112.7 | N139 | N139-H141 PolarHBondContact O-N 3.21Š|
| 142 | T | 35.2 | Very low | 38.6 | Very low | 120 Ų | 120 | 156.7 Ų | 156.7 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -126.5 | 92.7 | 156.6 | -48.8 | 0 | 0 | 0 | 0 | 107.8 | K140 S144 | K140-T142 PolarHBondContact O-N 2.88Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å |
| 143 | Y | 34 | Very low | 38.7 | Very low | 209 Ų | 209 | 155.2 Ų | 155.2 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | | | trans | -79.9 | 81.9 | 171.3 | -151.8 | -91.7 | 0 | 0 | 0 | 106.7 | Q145 | Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 HydrophobicContact CD1-CB 4.3Å; Y143-Q145 PolarHBondContact O-N 3.28Å; Y143-Q145 VanDerWaalsContact O-N 3.08Å |
| 144 | S | 44.6 | Very low | 39.3 | Very low | 92 Ų | 92 | 152.6 Ų | 152.6 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | | | trans | -80.7 | 89 | 172.7 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | T142 E146 | T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å; S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.77Å; S144-E146 VanDerWaalsContact O-N 3.13Å |
| 145 | Q | 38.7 | Very low | 39.7 | Very low | 139 Ų | 139 | 156.2 Ų | 156.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 81.5 | 169.6 | -156.3 | 178 | 13.5 | 0 | 0 | 107.9 | Y143 I147 | Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 HydrophobicContact CD1-CB 4.3Å; Y143-Q145 PolarHBondContact O-N 3.28Å; Y143-Q145 VanDerWaalsContact O-N 3.08Å; Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 HydrophobicContact CG-CD1 4.13Å; Q145-I147 HydrophobicContact CG-CG1 3.95Å; Q145-I147 PolarHBondContact O-N 3.08Å |
| 146 | E | 40.8 | Very low | 40 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -77.6 | 88.5 | 168.1 | -78.3 | 179.4 | 177.4 | 0 | 0 | 108.6 | S144 E148 | S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.77Å; S144-E146 VanDerWaalsContact O-N 3.13Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 2.96Å |
| 147 | I | 37.2 | Very low | 40.6 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 84.9 | 163.5 | -55 | 170.3 | 0 | 0 | 0 | 105.4 | Q145 N149 | Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 HydrophobicContact CG-CD1 4.13Å; Q145-I147 HydrophobicContact CG-CG1 3.95Å; Q145-I147 PolarHBondContact O-N 3.08Å; I147-N149 PolarHBondContact O-N 2.86Å |
| 148 | E | 47.9 | Very low | 40.7 | Very low | 176 Ų | 176 | 155.4 Ų | 155.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -85.2 | 110.6 | 167.1 | -155.6 | 171.5 | -160.5 | 0 | 0 | 108.1 | E146 L150 | E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 2.96Å; E148-L150 PolarHBondContact O-N 2.97Å; E148-L150 VanDerWaalsContact O-N 3.11Å |
| 149 | N | 39.2 | Very low | 41 | Very low | 140 Ų | 140 | 157 Ų | 157 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -57.6 | 106.7 | -176 | -61.3 | -60.3 | 0 | 0 | 0 | 111.1 | I147 D151 | I147-N149 PolarHBondContact O-N 2.86Å; N149-D151 VanDerWaalsContact C-N 3.26Å; N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 47.1 | Very low | 41.3 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 96% | 0.963 | 78% | 0.778 | S | S | * | * | | | trans | -85 | 71.4 | 167.2 | -80.4 | 163.2 | 0 | 0 | 0 | 109.6 | E148 | E148-L150 PolarHBondContact O-N 2.97Å; E148-L150 VanDerWaalsContact O-N 3.11Å |
| 151 | D | 39.8 | Very low | 41.7 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | -131.1 | 93.7 | 163.1 | -159.1 | 14.2 | 0 | 0 | 0 | 106.7 | N149 | N149-D151 VanDerWaalsContact C-N 3.26Å; N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 VanDerWaalsContact O-N 3.16Å |
| 152 | E | 48.7 | Very low | 42.8 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -177.4 | 103 | 151.2 | -101.8 | 167.8 | -160 | 0 | 0 | 112.1 | | |
| 153 | N | 40.5 | Very low | 43.9 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | trans | 70.1 | 116.5 | 134.4 | -128.3 | -16.6 | 0 | 0 | 0 | 120.8 | R155 | N153-R155 PolarHBondContact O-N 2.89Š|
| 154 | P | 45.4 | Very low | 45.2 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | trans | -87.7 | 85.1 | 171.3 | 35.3 | -27.9 | 0 | 0 | 0 | 109 | | |
| 155 | R | 39.3 | Very low | 46.4 | Very low | 204 Ų | 204 | 141 Ų | 141 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | -159.3 | 123.8 | 169.3 | -111.4 | 157 | -167.1 | -154.2 | 3.7 | 114 | N153 | N153-R155 PolarHBondContact O-N 2.89Š|
| 156 | N | 35.8 | Very low | 48.2 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | | | trans | 83.5 | 89.7 | 151.3 | -50.2 | -31 | 0 | 0 | 0 | 118.1 | | |
| 157 | H | 47.3 | Very low | 50.1 | Low | 179 Ų | 179 | 135.6 Ų | 135.6 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | | | trans | -147.2 | 92.8 | 141.3 | -71.6 | -57.1 | 0 | 0 | 0 | 108.1 | | |
| 158 | T | 43.8 | Very low | 52.5 | Low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | | | | 70.8 | 106.6 | 104.2 | 52 | 0 | 0 | 0 | 0 | 114.3 | G160 | T158-G160 PolarHBondContact O-N 3.09Š|
| 159 | N | 41.2 | Very low | 54.3 | Low | 173 Ų | 173 | 133.6 Ų | 133.6 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -38.3 | 113.4 | 164.1 | -68.8 | -25.9 | 0 | 0 | 0 | 111.9 | | |
| 160 | G | 46.1 | Very low | 56.8 | Low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 159.5 | 16.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | T158 | T158-G160 PolarHBondContact O-N 3.09Š|
| 161 | N | 52 | Low | 58.8 | Low | 91 Ų | 91 | 127.3 Ų | 127.3 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | | | trans | -167.4 | 47.4 | 167.8 | -131.3 | -13 | 0 | 0 | 0 | 114.6 | E163 N164 D165 | N161-E163 PolarHBondContact O-N 3.49Å; N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 VanDerWaalsContact CG-ND2 3.29Å; N161-N164 PolarHBondContact ND2-ND2 3.43Å; N161-N164 PolarHBondContact O-N 3.13Å; N161-N164 PolarHBondContact OD1-ND2 3.04Å; N161-D165 PolarHBondContact O-N 2.9Å |
| 162 | I | 53.5 | Low | 61.3 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -55.9 | -24.2 | -167.8 | -61 | 169.8 | 0 | 0 | 0 | 113.9 | K166 | I162-K166 WeakPolarHBondContact O-CG 3.37Å |
| 163 | E | 59 | Low | 63.3 | Low | 155 Ų | 155 | 119.9 Ų | 119.9 | 72% | 0.724 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.4 | -36.5 | 179.4 | -66.3 | -173.5 | 168.1 | 0 | 0 | 113.1 | N161 K166 V167 | N161-E163 PolarHBondContact O-N 3.49Å; E163-K166 PolarHBondContact O-N 3.23Å; E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 2.85Å |
| 164 | N | 61.8 | Low | 65.8 | Low | 83 Ų | 83 | 116.4 Ų | 116.4 | 44% | 0.444 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.6 | -38.6 | 179.9 | -71.3 | -17.2 | 0 | 0 | 0 | 111.5 | N161 K166 V167 D168 | N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 VanDerWaalsContact CG-ND2 3.29Å; N161-N164 PolarHBondContact ND2-ND2 3.43Å; N161-N164 PolarHBondContact O-N 3.13Å; N161-N164 PolarHBondContact OD1-ND2 3.04Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 3.39Å; N164-V167 PolarHBondContact O-N 3.07Å; N164-D168 PolarHBondContact O-N 3.04Å |
| 165 | D | 69.2 | Low | 68.1 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 57% | 0.572 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.4 | -32.4 | 177.1 | -65.8 | -18.4 | 0 | 0 | 0 | 112.5 | N161 Y169 | N161-D165 PolarHBondContact O-N 2.9Å; D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 PolarHBondContact O-N 3.02Å |
| 166 | K | 77.2 | Confident | 70.5 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.6 | -39.9 | 176 | -73.5 | 179.1 | -171.8 | 176.8 | 0 | 111.9 | I162 E163 N164 Y169 L170 | I162-K166 WeakPolarHBondContact O-CG 3.37Å; E163-K166 PolarHBondContact O-N 3.23Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 3.39Å; K166-Y169 PolarHBondContact O-N 3.32Å; K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.32Å |
| 167 | V | 81.1 | Confident | 73.2 | Confident | 76 Ų | 76 | 113.8 Ų | 113.8 | 46% | 0.461 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.6 | -43.6 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | E163 N164 Y169 L170 I171 | E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 2.85Å; N164-V167 PolarHBondContact O-N 3.07Å; V167-Y169 VanDerWaalsContact C-N 3.35Å; V167-Y169 PolarHBondContact O-N 2.72Å; V167-L170 PolarHBondContact O-N 3.11Å; V167-L170 VanDerWaalsContact O-N 3.15Å; V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.95Å |
| 168 | D | 86.1 | Confident | 75.2 | Confident | 88 Ų | 88 | 108 Ų | 108 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.2 | -40.2 | 176.8 | -73.2 | -21.8 | 0 | 0 | 0 | 112.1 | N164 L170 I171 Q172 | N164-D168 PolarHBondContact O-N 3.04Å; D168-L170 PolarHBondContact O-N 3.43Å; D168-I171 PolarHBondContact O-N 3.17Å; D168-Q172 WeakPolarHBondContact O-CB 3.48Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 2.94Å |
| 169 | Y | 86.5 | Confident | 77.5 | Confident | 165 Ų | 165 | 109.4 Ų | 109.4 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.4 | -43.3 | 172.5 | -176.7 | -96 | 0 | 0 | 0 | 112.3 | D165 K166 V167 Q172 A173 | D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 PolarHBondContact O-N 3.02Å; K166-Y169 PolarHBondContact O-N 3.32Å; V167-Y169 VanDerWaalsContact C-N 3.35Å; V167-Y169 PolarHBondContact O-N 2.72Å; Y169-Q172 PolarHBondContact O-N 2.72Å; Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 2.86Å |
| 170 | L | 90.7 | Very high | 79.7 | Confident | 115 Ų | 115 | 107.5 Ų | 107.5 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | 176.9 | -72.6 | 170 | 0 | 0 | 0 | 112.1 | K166 V167 D168 A173 A174 | K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.32Å; V167-L170 PolarHBondContact O-N 3.11Å; V167-L170 VanDerWaalsContact O-N 3.15Å; D168-L170 PolarHBondContact O-N 3.43Å; L170-A173 PolarHBondContact O-N 2.71Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.48Å |
| 171 | I | 90.2 | Very high | 81.5 | Confident | 77 Ų | 77 | 111.5 Ų | 111.5 | 40% | 0.395 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.6 | -68.5 | 167.1 | 0 | 0 | 0 | 110.1 | V167 D168 A174 K175 | V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.95Å; D168-I171 PolarHBondContact O-N 3.17Å; I171-A174 PolarHBondContact O-N 2.93Å; I171-K175 HydrophobicContact CG2-CD 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 3.24Å |
| 172 | Q | 92.9 | Very high | 82.9 | Confident | 135 Ų | 135 | 111.3 Ų | 111.3 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 175.8 | -74.8 | -177.3 | 0.4 | 0 | 0 | 112 | D168 Y169 A174 K175 E176 | D168-Q172 WeakPolarHBondContact O-CB 3.48Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 2.94Å; Y169-Q172 PolarHBondContact O-N 2.72Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.05Å; Q172-K175 PolarHBondContact O-N 3.46Å; Q172-E176 PolarHBondContact O-N 3.22Å |
| 173 | A | 90.6 | Very high | 84.3 | Confident | 40 Ų | 40 | 110.8 Ų | 110.8 | 33% | 0.331 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y169 L170 E176 R177 | Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 2.86Å; L170-A173 PolarHBondContact O-N 2.71Å; A173-E176 PolarHBondContact O-N 3.16Å; A173-R177 WeakPolarHBondContact O-CB 3.38Å; A173-R177 PolarHBondContact O-N 3.45Å |
| 174 | A | 91.1 | Very high | 85.3 | Confident | 60 Ų | 60 | 108.2 Ų | 108.2 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L170 I171 Q172 R177 A178 | L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.48Å; I171-A174 PolarHBondContact O-N 2.93Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.05Å; A174-R177 PolarHBondContact O-N 2.88Å; A174-A178 WeakPolarHBondContact O-CB 3.35Å; A174-A178 PolarHBondContact O-N 3.34Å |
| 175 | K | 94.3 | Very high | 86.1 | Confident | 138 Ų | 138 | 109.6 Ų | 109.6 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 175.2 | -74.9 | 177.9 | 178.5 | 179.7 | 0 | 111.8 | I171 Q172 A178 K179 | I171-K175 HydrophobicContact CG2-CD 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 3.24Å; Q172-K175 PolarHBondContact O-N 3.46Å; K175-A178 PolarHBondContact O-N 3.35Å; K175-K179 WeakPolarHBondContact O-CG 3.48Å; K175-K179 PolarHBondContact O-N 3.11Å |
| 176 | E | 91.2 | Very high | 86.3 | Confident | 97 Ų | 97 | 109.5 Ų | 109.5 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 177 | -161.9 | -153.5 | -170.1 | 0 | 0 | 111.5 | Q172 A173 A178 K179 R180 | Q172-E176 PolarHBondContact O-N 3.22Å; A173-E176 PolarHBondContact O-N 3.16Å; E176-A178 PolarHBondContact O-N 3.41Å; E176-K179 PolarHBondContact O-N 3.5Å; E176-R180 VanDerWaalsContact CD-CZ 3.47Å; E176-R180 PolarHBondContact O-N 3.5Å; E176-R180 IonicContact OE1-CZ 3.53Å; E176-R180 IonicContact OE1-NH1 3.31Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å; E176-R180 IonicContact OE1-NH2 3.58Å; E176-R180 PolarHBondContact OE1-NH2 3.06Å; E176-R180 IonicContact OE2-CZ 2.66Å; E176-R180 IonicContact OE2-NH1 2.8Å; E176-R180 PolarHBondContact OE2-NH1 3.33Å; E176-R180 IonicContact OE2-NH2 3.97Å |
| 177 | R | 91.3 | Very high | 86 | Confident | 162 Ų | 162 | 107.1 Ų | 107.1 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 175.6 | -167.5 | 179.6 | -153.1 | 175.7 | 7.8 | 112.6 | A173 A174 R181 | A173-R177 WeakPolarHBondContact O-CB 3.38Å; A173-R177 PolarHBondContact O-N 3.45Å; A174-R177 PolarHBondContact O-N 2.88Å; R177-R181 WeakPolarHBondContact O-CG 3.49Å; R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.15Å |
| 178 | A | 89.9 | Confident | 84.9 | Confident | 58 Ų | 58 | 105.7 Ų | 105.7 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A174 K175 E176 R180 R181 E182 | A174-A178 WeakPolarHBondContact O-CB 3.35Å; A174-A178 PolarHBondContact O-N 3.34Å; K175-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 3.41Å; A178-R180 PolarHBondContact O-N 2.94Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-E182 PolarHBondContact O-N 2.84Å; A178-E182 VanDerWaalsContact O-N 3.07Å |
| 179 | K | 91.1 | Very high | 83.6 | Confident | 156 Ų | 156 | 105.9 Ų | 105.9 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 174.9 | -75.3 | -175.2 | 176.9 | -174.3 | 0 | 112.5 | K175 E176 R181 E182 L183 | K175-K179 WeakPolarHBondContact O-CG 3.48Å; K175-K179 PolarHBondContact O-N 3.11Å; E176-K179 PolarHBondContact O-N 3.5Å; K179-R181 PolarHBondContact O-N 3.1Å; K179-E182 PolarHBondContact O-N 2.92Å; K179-L183 PolarHBondContact O-N 3.02Å |
| 180 | R | 87.5 | Confident | 82 | Confident | 134 Ų | 134 | 105.1 Ų | 105.1 | 51% | 0.506 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.1 | -74.9 | -173.9 | 177.5 | 115.2 | 4.3 | 112.3 | E176 A178 E182 L183 D184 | E176-R180 VanDerWaalsContact CD-CZ 3.47Å; E176-R180 PolarHBondContact O-N 3.5Å; E176-R180 IonicContact OE1-CZ 3.53Å; E176-R180 IonicContact OE1-NH1 3.31Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å; E176-R180 IonicContact OE1-NH2 3.58Å; E176-R180 PolarHBondContact OE1-NH2 3.06Å; E176-R180 IonicContact OE2-CZ 2.66Å; E176-R180 IonicContact OE2-NH1 2.8Å; E176-R180 PolarHBondContact OE2-NH1 3.33Å; E176-R180 IonicContact OE2-NH2 3.97Å; A178-R180 PolarHBondContact O-N 2.94Å; R180-E182 VanDerWaalsContact C-N 3.27Å; R180-E182 PolarHBondContact O-N 2.88Å; R180-L183 PolarHBondContact O-N 3.29Å; R180-D184 PolarHBondContact O-N 3.2Å |
| 181 | R | 85 | Confident | 80.1 | Confident | 150 Ų | 150 | 103.8 Ų | 103.8 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -36.1 | 176.9 | -73.6 | 175.9 | 177.4 | 178.3 | -1 | 112.5 | R177 A178 K179 K185 | R177-R181 WeakPolarHBondContact O-CG 3.49Å; R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.15Å; A178-R181 PolarHBondContact O-N 3.39Å; K179-R181 PolarHBondContact O-N 3.1Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 2.71Å; R181-K185 VanDerWaalsContact O-N 3.1Å |
| 182 | E | 81.2 | Confident | 78.3 | Confident | 87 Ų | 87 | 106 Ų | 106 | 41% | 0.407 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.2 | -40.8 | 177.7 | -161.2 | 56.4 | -146.1 | 0 | 0 | 111.6 | A178 K179 R180 D184 K185 Q186 | A178-E182 PolarHBondContact O-N 2.84Å; A178-E182 VanDerWaalsContact O-N 3.07Å; K179-E182 PolarHBondContact O-N 2.92Å; R180-E182 VanDerWaalsContact C-N 3.27Å; R180-E182 PolarHBondContact O-N 2.88Å; E182-D184 VanDerWaalsContact C-N 3.34Å; E182-D184 PolarHBondContact O-N 2.95Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.43Å; E182-Q186 WeakPolarHBondContact O-CG 3.44Å; E182-Q186 PolarHBondContact O-N 3.09Å; E182-Q186 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 83.3 | Confident | 76.2 | Confident | 109 Ų | 109 | 106.8 Ų | 106.8 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 170.8 | -74.8 | 170.5 | 0 | 0 | 0 | 112.2 | K179 R180 K185 Q186 N187 | K179-L183 PolarHBondContact O-N 3.02Å; R180-L183 PolarHBondContact O-N 3.29Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.22Å; L183-Q186 PolarHBondContact O-N 2.88Å; L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.49Å; L183-N187 PolarHBondContact O-ND2 2.91Å |
| 184 | D | 78.6 | Confident | 74.3 | Confident | 102 Ų | 102 | 111.1 Ų | 111.1 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 177.1 | -69 | -23.3 | 0 | 0 | 0 | 111.7 | R180 E182 S188 | R180-D184 PolarHBondContact O-N 3.2Å; E182-D184 VanDerWaalsContact C-N 3.34Å; E182-D184 PolarHBondContact O-N 2.95Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.23Å; D184-S188 PolarHBondContact O-N 3.33Å; D184-S188 PolarHBondContact O-OG 2.81Å |
| 185 | K | 78.3 | Confident | 72.4 | Confident | 111 Ų | 111 | 116.7 Ų | 116.7 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -45.6 | 174.3 | -73.1 | 175.7 | -162.1 | 163 | 0 | 111.8 | R181 E182 L183 S188 N189 | R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 2.71Å; R181-K185 VanDerWaalsContact O-N 3.1Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.43Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.22Å; K185-S188 WeakPolarHBondContact CA-OG 3.43Å; K185-S188 PolarHBondContact O-N 2.76Å; K185-S188 PolarHBondContact O-OG 2.96Å; K185-N189 PolarHBondContact O-N 3.32Å |
| 186 | Q | 75 | Confident | 70 | Confident | 105 Ų | 105 | 117.7 Ų | 117.7 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.3 | -46 | 177.9 | -62.9 | -62.1 | -25 | 0 | 0 | 110.8 | E182 L183 S188 N189 E190 | E182-Q186 WeakPolarHBondContact O-CG 3.44Å; E182-Q186 PolarHBondContact O-N 3.09Å; E182-Q186 VanDerWaalsContact O-N 3.08Å; L183-Q186 PolarHBondContact O-N 2.88Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 2.97Å; Q186-N189 PolarHBondContact O-N 2.77Å; Q186-E190 PolarHBondContact O-N 3.36Å |
| 187 | N | 70.2 | Confident | 67.5 | Low | 85 Ų | 85 | 116.3 Ų | 116.3 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.2 | -29 | 175.7 | -67.5 | -20.5 | 0 | 0 | 0 | 113 | L183 N191 | L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.49Å; L183-N187 PolarHBondContact O-ND2 2.91Å; N187-N191 PolarHBondContact O-N 3.42Å; N187-N191 PolarHBondContact O-ND2 3.41Å |
| 188 | S | 59.1 | Low | 65.1 | Low | 46 Ų | 46 | 114.1 Ų | 114.1 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -78 | -27.5 | 177.2 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | D184 K185 Q186 N191 Q192 | D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.23Å; D184-S188 PolarHBondContact O-N 3.33Å; D184-S188 PolarHBondContact O-OG 2.81Å; K185-S188 WeakPolarHBondContact CA-OG 3.43Å; K185-S188 PolarHBondContact O-N 2.76Å; K185-S188 PolarHBondContact O-OG 2.96Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 2.97Å; S188-N191 PolarHBondContact O-N 2.81Å; S188-Q192 WeakPolarHBondContact O-CB 3.18Å; S188-Q192 WeakPolarHBondContact O-CG 3.36Å; S188-Q192 PolarHBondContact O-N 3.02Å |
| 189 | N | 57.1 | Low | 62.9 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.5 | -35.1 | 176.4 | -79 | -11.7 | 0 | 0 | 0 | 111.8 | K185 Q186 N191 | K185-N189 PolarHBondContact O-N 3.32Å; Q186-N189 PolarHBondContact O-N 2.77Å; N189-N191 VanDerWaalsContact C-N 3.33Å |
| 190 | E | 53.8 | Low | 61 | Low | 149 Ų | 149 | 122.2 Ų | 122.2 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.2 | -33.4 | 172.4 | -70.2 | -174.2 | 167.5 | 0 | 0 | 112.2 | Q186 | Q186-E190 PolarHBondContact O-N 3.36Å |
| 191 | N | 51.1 | Low | 59.2 | Low | 87 Ų | 87 | 120 Ų | 120 | 47% | 0.465 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -82 | -23.5 | 177 | -75.1 | -56 | 0 | 0 | 0 | 114 | N187 S188 N189 L193 L194 F195 | N187-N191 PolarHBondContact O-N 3.42Å; N187-N191 PolarHBondContact O-ND2 3.41Å; S188-N191 PolarHBondContact O-N 2.81Å; N189-N191 VanDerWaalsContact C-N 3.33Å; N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.34Å; N191-L194 PolarHBondContact O-N 2.92Å; N191-F195 WeakPolarHBondContact O-CD2 3.43Å; N191-F195 PolarHBondContact O-N 3.25Å |
| 192 | Q | 52 | Low | 57.7 | Low | 125 Ų | 125 | 123 Ų | 123 | 58% | 0.584 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.6 | -28.1 | 173.9 | -84.8 | 175.1 | 55.1 | 0 | 0 | 112.5 | S188 L194 | S188-Q192 WeakPolarHBondContact O-CB 3.18Å; S188-Q192 WeakPolarHBondContact O-CG 3.36Å; S188-Q192 PolarHBondContact O-N 3.02Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.17Å |
| 193 | L | 49.3 | Very low | 56.3 | Low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.4 | -16.2 | 172.9 | -102.6 | 149.6 | 0 | 0 | 0 | 113.9 | N191 | N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.34Å |
| 194 | L | 50.8 | Low | 54.9 | Low | 131 Ų | 131 | 127.2 Ų | 127.2 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -94.6 | -17.5 | -179.5 | -151.3 | 78.9 | 0 | 0 | 0 | 113.6 | N191 Q192 | N191-L194 PolarHBondContact O-N 2.92Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.17Å |
| 195 | F | 49.7 | Very low | 54 | Low | 177 Ų | 177 | 127 Ų | 127 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -101 | -3.9 | -179.4 | -82 | -77.9 | 0 | 0 | 0 | 114.9 | N191 | N191-F195 WeakPolarHBondContact O-CD2 3.43Å; N191-F195 PolarHBondContact O-N 3.25Å |
| 196 | D | 44.7 | Very low | 53.1 | Low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -90.4 | -0.1 | -179.9 | -108.1 | -8.8 | 0 | 0 | 0 | 114.4 | | |
| 197 | A | 39.3 | Very low | 52 | Low | 69 Ų | 69 | 132.1 Ų | 132.1 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -128 | 121.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 198 | S | 40.1 | Very low | 51.3 | Low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 90.1 | 120.5 | 164.9 | 84.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 199 | Q | 44.6 | Very low | 51.1 | Low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | | | trans | 73.1 | 77.1 | 167.3 | -54.2 | -164.3 | 9.4 | 0 | 0 | 117 | P201 | Q199-P201 WeakPolarHBondContact O-CD 3.35Å; Q199-P201 VanDerWaalsContact O-N 3.08Å |
| 200 | K | 50.5 | Low | 51.1 | Low | 205 Ų | 205 | 139.3 Ų | 139.3 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | | | trans | -51.7 | 114.8 | 144.3 | -71.4 | -177.9 | 179.4 | -178.9 | 0 | 107 | K202 | K200-K202 PolarHBondContact O-N 2.87Š|
| 201 | P | 49.7 | Very low | 51.4 | Low | 87 Ų | 87 | 138.4 Ų | 138.4 | 57% | 0.565 | 70% | 0.697 | S | S | * | * | | | trans | -57.6 | 133 | 169.1 | 22.9 | -29.4 | 0 | 0 | 0 | 106.3 | Q199 R203 | Q199-P201 WeakPolarHBondContact O-CD 3.35Å; Q199-P201 VanDerWaalsContact O-N 3.08Å; P201-R203 HydrophobicContact CG-CG 4.42Å; P201-R203 PolarHBondContact O-N 3.33Å |
| 202 | K | 53.7 | Low | 51.7 | Low | 214 Ų | 214 | 137.2 Ų | 137.2 | 93% | 0.93 | 69% | 0.691 | S | S | * | * | | | trans | -57 | 88.9 | 170.2 | -76.3 | 179.6 | 176.9 | 177.3 | 0 | 107 | K200 N204 | K200-K202 PolarHBondContact O-N 2.87Å; K202-N204 PolarHBondContact O-N 3.08Å; K202-N204 VanDerWaalsContact O-N 3.08Å |
| 203 | R | 51.7 | Low | 51.9 | Low | 199 Ų | 199 | 139.2 Ų | 139.2 | 75% | 0.751 | 71% | 0.705 | S | S | * | * | | | trans | -68.3 | 109.9 | -177.9 | -79.2 | -177.4 | 173.3 | 141.8 | -0.4 | 106.3 | P201 | P201-R203 HydrophobicContact CG-CG 4.42Å; P201-R203 PolarHBondContact O-N 3.33Å |
| 204 | N | 52.8 | Low | 52.2 | Low | 84 Ų | 84 | 133.5 Ų | 133.5 | 45% | 0.449 | 68% | 0.68 | S | S | . | * | | | trans | -55.1 | 125.9 | 176.1 | -166.3 | -1.6 | 0 | 0 | 0 | 108.5 | K202 E206 Y207 | K202-N204 PolarHBondContact O-N 3.08Å; K202-N204 VanDerWaalsContact O-N 3.08Å; N204-E206 PolarHBondContact O-N 2.79Å; N204-Y207 PolarHBondContact O-N 3.01Å |
| 205 | P | 60.6 | Low | 52.9 | Low | 97 Ų | 97 | 133.9 Ų | 133.9 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -56 | -21.8 | -177 | 19 | -33.4 | 0 | 0 | 0 | 113.9 | Y207 Q208 | P205-Y207 VanDerWaalsContact C-N 3.34Å; P205-Y207 PolarHBondContact O-N 3.24Å; P205-Q208 PolarHBondContact O-N 3.23Å |
| 206 | E | 58.5 | Low | 53.8 | Low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.3 | -29.5 | 176.9 | -67.4 | 173.3 | 159.5 | 0 | 0 | 113.4 | N204 Q208 R209 | N204-E206 PolarHBondContact O-N 2.79Å; E206-Q208 PolarHBondContact O-N 2.82Å; E206-R209 PolarHBondContact O-N 2.73Å |
| 207 | Y | 52.9 | Low | 54.4 | Low | 182 Ų | 182 | 132.8 Ų | 132.8 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.4 | -28.8 | 178.8 | -108.9 | -92.5 | 0 | 0 | 0 | 112.7 | N204 P205 | N204-Y207 PolarHBondContact O-N 3.01Å; P205-Y207 VanDerWaalsContact C-N 3.34Å; P205-Y207 PolarHBondContact O-N 3.24Å |
| 208 | Q | 55.5 | Low | 55.3 | Low | 137 Ų | 137 | 133.9 Ų | 133.9 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.7 | -28.3 | 177 | -82.2 | -174.7 | -21 | 0 | 0 | 112.8 | P205 E206 G210 | P205-Q208 PolarHBondContact O-N 3.23Å; E206-Q208 PolarHBondContact O-N 2.82Å; Q208-G210 VanDerWaalsContact C-N 3.29Å; Q208-G210 PolarHBondContact O-N 3.03Å |
| 209 | R | 55.9 | Low | 56.2 | Low | 164 Ų | 164 | 131.2 Ų | 131.2 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72 | -19.8 | 179.1 | -78.4 | -173.2 | 168.3 | -157.3 | -4 | 113.8 | E206 Y233 | E206-R209 PolarHBondContact O-N 2.73Å; R209-Y233 PolarHBondContact NH1-OH 2.99Å; R209-Y233 VanDerWaalsContact NH1-OH 3.11Å |
| 210 | G | 56.3 | Low | 57.2 | Low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q208 | Q208-G210 VanDerWaalsContact C-N 3.29Å; Q208-G210 PolarHBondContact O-N 3.03Å |
| 211 | L | 59.5 | Low | 57.9 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -91.8 | -10.3 | -167.1 | -104.1 | 138.9 | 0 | 0 | 0 | 114.4 | | |
| 212 | L | 57.8 | Low | 58.4 | Low | 63 Ų | 63 | 127 Ų | 127 | 33% | 0.33 | 63% | 0.632 | S | S | . | * | | | trans | -149.1 | 78.3 | -160.8 | -71.4 | 165.8 | 0 | 0 | 0 | 114.3 | Y217 | L212-Y217 HydrophobicContact CB-CD1 4.25Å; L212-Y217 HydrophobicContact CD1-CD1 3.47Å; L212-Y217 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y217 HydrophobicContact CD1-CE1 3Å; L212-Y217 HydrophobicContact CD1-CG 4.38Å; L212-Y217 HydrophobicContact CD2-CD1 3.02Å; L212-Y217 HydrophobicContact CD2-CD2 3.41Å; L212-Y217 VanDerWaalsContact CD2-CD2 3.41Å; L212-Y217 HydrophobicContact CD2-CE1 3.34Å; L212-Y217 HydrophobicContact CD2-CE2 3.69Å; L212-Y217 HydrophobicContact CD2-CG 3.04Å; L212-Y217 HydrophobicContact CG-CD1 3.67Å; L212-Y217 HydrophobicContact CG-CE1 3.68Å; L212-Y217 HydrophobicContact CG-CG 4.18Å |
| 213 | N | 56.1 | Low | 58 | Low | 166 Ų | 166 | 119 Ų | 119 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | | | trans | -117.4 | 30.9 | 159.6 | -80.7 | -17.9 | 0 | 0 | 0 | 110.8 | | |
| 214 | A | 56.5 | Low | 57.7 | Low | 32 Ų | 32 | 117.4 Ų | 117.4 | 26% | 0.264 | 61% | 0.614 | S | S | . | * | | | trans | -81.3 | 124.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | W216 Y217 | A214-W216 HydrophobicContact CB-CD2 4.18Å; A214-W216 HydrophobicContact CB-CG 4.39Å; A214-W216 HydrophobicContact CB-CZ2 4.14Å; A214-W216 PolarHBondContact O-N 3.38Å; A214-Y217 PolarHBondContact O-N 2.93Å |
| 215 | P | 64 | Low | 57.4 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 90% | 0.903 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -17.2 | -178.3 | -24.1 | 31.4 | 0 | 0 | 0 | 114.6 | | |
| 216 | W | 68.5 | Low | 56.9 | Low | 210 Ų | 210 | 115 Ų | 115 | 80% | 0.795 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -2.3 | -175.6 | 53 | -93.2 | 0 | 0 | 0 | 114.1 | A214 | A214-W216 HydrophobicContact CB-CD2 4.18Å; A214-W216 HydrophobicContact CB-CG 4.39Å; A214-W216 HydrophobicContact CB-CZ2 4.14Å; A214-W216 PolarHBondContact O-N 3.38Å |
| 217 | Y | 58.1 | Low | 56.8 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 40% | 0.4 | 63% | 0.629 | S | S | . | * | | | trans | -95.8 | 118.8 | 177 | -171.8 | -80.8 | 0 | 0 | 0 | 111.3 | L212 A214 N219 | L212-Y217 HydrophobicContact CB-CD1 4.25Å; L212-Y217 HydrophobicContact CD1-CD1 3.47Å; L212-Y217 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y217 HydrophobicContact CD1-CE1 3Å; L212-Y217 HydrophobicContact CD1-CG 4.38Å; L212-Y217 HydrophobicContact CD2-CD1 3.02Å; L212-Y217 HydrophobicContact CD2-CD2 3.41Å; L212-Y217 VanDerWaalsContact CD2-CD2 3.41Å; L212-Y217 HydrophobicContact CD2-CE1 3.34Å; L212-Y217 HydrophobicContact CD2-CE2 3.69Å; L212-Y217 HydrophobicContact CD2-CG 3.04Å; L212-Y217 HydrophobicContact CG-CD1 3.67Å; L212-Y217 HydrophobicContact CG-CE1 3.68Å; L212-Y217 HydrophobicContact CG-CG 4.18Å; A214-Y217 PolarHBondContact O-N 2.93Å; Y217-N219 HydrophobicContact CE1-CB 4.19Å |
| 218 | T | 58.8 | Low | 56.8 | Low | 91 Ų | 91 | 115.8 Ų | 115.8 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | | | trans | -106.8 | 127.6 | 167.2 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | P220 | T218-P220 WeakPolarHBondContact O-CD 3.49Š|
| 219 | N | 57.9 | Low | 56.7 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 32% | 0.321 | 63% | 0.625 | S | S | . | * | | | trans | -63.4 | 131.9 | 179.9 | 176.4 | 7.2 | 0 | 0 | 0 | 111.4 | Y217 E221 E222 | Y217-N219 HydrophobicContact CE1-CB 4.19Å; N219-E221 PolarHBondContact O-N 3.44Å; N219-E222 HydrophobicContact CB-CB 3.73Å; N219-E222 CarbonylContact O-C 3.48Å; N219-E222 WeakPolarHBondContact O-CA 3.39Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 PolarHBondContact O-N 2.77Å |
| 220 | P | 65.3 | Low | 56.4 | Low | 108 Ų | 108 | 112 Ų | 112 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -14.7 | -63.2 | 164.2 | 46.3 | -33.3 | 0 | 0 | 0 | 118.5 | T218 | T218-P220 WeakPolarHBondContact O-CD 3.49Š|
| 221 | E | 65.6 | Low | 56.1 | Low | 190 Ų | 190 | 119 Ų | 119 | 89% | 0.888 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -13.9 | -168.3 | -55.7 | -165.7 | 172.4 | 0 | 0 | 111.7 | N219 G223 | N219-E221 PolarHBondContact O-N 3.44Å; E221-G223 PolarHBondContact O-N 3.14Å |
| 222 | E | 59.6 | Low | 55.3 | Low | 86 Ų | 86 | 121 Ų | 121 | 40% | 0.402 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -92.4 | 66.2 | 173.1 | -152.4 | 170.3 | -156.8 | 0 | 0 | 107 | N219 I224 V229 | N219-E222 HydrophobicContact CB-CB 3.73Å; N219-E222 CarbonylContact O-C 3.48Å; N219-E222 WeakPolarHBondContact O-CA 3.39Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 PolarHBondContact O-N 2.77Å; E222-I224 PolarHBondContact O-N 3.27Å; E222-V229 HydrophobicContact CG-CG2 4.27Å |
| 223 | G | 45.5 | Very low | 54.6 | Low | 44 Ų | 44 | 126.2 Ų | 126.2 | 45% | 0.454 | 65% | 0.648 | S | S | . | * | | | trans | -48 | 140.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E221 G225 S226 | E221-G223 PolarHBondContact O-N 3.14Å; G223-G225 PolarHBondContact O-N 2.73Å; G223-S226 PolarHBondContact O-N 3.14Å |
| 224 | I | 46.4 | Very low | 53.7 | Low | 166 Ų | 166 | 123.6 Ų | 123.6 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 90.4 | 174.1 | -56.3 | 168.3 | 0 | 0 | 0 | 107.1 | E222 | E222-I224 PolarHBondContact O-N 3.27Š|
| 225 | G | 47.1 | Very low | 53.1 | Low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.3 | 1.4 | -172 | 0 | 0 | 0 | 0 | 0 | 117.3 | G223 E227 | G223-G225 PolarHBondContact O-N 2.73Å; G225-E227 PolarHBondContact O-N 3.37Å |
| 226 | S | 48.5 | Very low | 51.9 | Low | 58 Ų | 58 | 132 Ų | 132 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | | | trans | -80.5 | 82.6 | 173.1 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | G223 N228 | G223-S226 PolarHBondContact O-N 3.14Å; S226-N228 PolarHBondContact O-N 3.25Å |
| 227 | E | 56.6 | Low | 50.8 | Low | 191 Ų | 191 | 128.1 Ų | 128.1 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -0.1 | 175.8 | -166.8 | 168.5 | -173.5 | 0 | 0 | 114.4 | G225 | G225-E227 PolarHBondContact O-N 3.37Š|
| 228 | N | 54.3 | Low | 50.5 | Low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 14.5 | -174.4 | -64.2 | -22.8 | 0 | 0 | 0 | 115 | S226 Q230 | S226-N228 PolarHBondContact O-N 3.25Å; N228-Q230 PolarHBondContact O-N 2.88Å |
| 229 | V | 52.9 | Low | 49.9 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 47% | 0.467 | 70% | 0.699 | S | S | . | * | | | trans | -79.4 | 76.1 | 173.5 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | E222 R231 | E222-V229 HydrophobicContact CG-CG2 4.27Å; V229-R231 PolarHBondContact O-N 3.4Å |
| 230 | Q | 49.4 | Very low | 49.2 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | | | trans | -60.1 | 98.7 | 169 | -157.3 | 164.5 | 26.4 | 0 | 0 | 107.9 | N228 Y232 | N228-Q230 PolarHBondContact O-N 2.88Å; Q230-Y232 VanDerWaalsContact C-N 3.33Å; Q230-Y232 HydrophobicContact CB-CD2 4.49Å; Q230-Y232 HydrophobicContact CB-CE2 4.19Å; Q230-Y232 HydrophobicContact CG-CE2 4.13Å; Q230-Y232 WeakPolarHBondContact O-CD2 3.34Å; Q230-Y232 PolarHBondContact O-N 3.25Å |
| 231 | R | 50 | Low | 48.3 | Very low | 221 Ų | 221 | 137.1 Ų | 137.1 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | | | trans | -61.7 | 93.5 | 174.5 | -68.7 | -177.6 | -149.1 | 171.2 | 7.1 | 108.9 | V229 Y233 | V229-R231 PolarHBondContact O-N 3.4Å; R231-Y233 PolarHBondContact O-N 3.32Å |
| 232 | Y | 42.5 | Very low | 47 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | trans | -71.9 | 79 | 162.4 | -77.1 | -88.1 | 0 | 0 | 0 | 108.9 | Q230 | Q230-Y232 VanDerWaalsContact C-N 3.33Å; Q230-Y232 HydrophobicContact CB-CD2 4.49Å; Q230-Y232 HydrophobicContact CB-CE2 4.19Å; Q230-Y232 HydrophobicContact CG-CE2 4.13Å; Q230-Y232 WeakPolarHBondContact O-CD2 3.34Å; Q230-Y232 PolarHBondContact O-N 3.25Å |
| 233 | Y | 43.7 | Very low | 46.4 | Very low | 171 Ų | 171 | 136 Ų | 136 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | trans | -113.6 | 99.1 | 153 | -77.2 | -73.1 | 0 | 0 | 0 | 108.4 | R209 R231 R235 | R209-Y233 PolarHBondContact NH1-OH 2.99Å; R209-Y233 VanDerWaalsContact NH1-OH 3.11Å; R231-Y233 PolarHBondContact O-N 3.32Å; Y233-R235 PolarHBondContact O-N 2.66Å |
| 234 | S | 37.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -48.6 | 114.9 | 171.7 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 235 | R | 42.7 | Very low | 46.4 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | -178.8 | 99.6 | 131.8 | -99.1 | 170.9 | -169.6 | -147.7 | 2.8 | 108.8 | Y233 V237 | Y233-R235 PolarHBondContact O-N 2.66Å; R235-V237 PolarHBondContact O-N 3.27Å |
| 236 | S | 39.1 | Very low | 46.4 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | 40.9 | 76.9 | 144 | 63 | 0 | 0 | 0 | 0 | 116.8 | | |
| 237 | V | 45.9 | Very low | 46.4 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | -134.4 | 125.7 | 157.3 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | R235 | R235-V237 PolarHBondContact O-N 3.27Š|
| 238 | K | 51.5 | Low | 46 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | trans | -48.1 | 146.6 | -176.5 | -65.1 | 170.4 | 177.8 | 176.7 | 0 | 111.4 | I240 | K238-I240 PolarHBondContact O-N 3.15Š|
| 239 | P | 45.7 | Very low | 46 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | trans | -62.1 | 108.8 | 176.3 | 26.7 | -31.9 | 0 | 0 | 0 | 108.4 | S241 | P239-S241 PolarHBondContact O-N 3.5Š|
| 240 | I | 44.1 | Very low | 46.1 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -68.4 | 115.4 | 169.9 | -64.9 | 173.4 | 0 | 0 | 0 | 105.9 | K238 | K238-I240 PolarHBondContact O-N 3.15Š|
| 241 | S | 46 | Very low | 46.7 | Very low | 93 Ų | 93 | 152.3 Ų | 152.3 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -42.2 | 137.4 | 176.2 | 45.5 | 0 | 0 | 0 | 0 | 113.7 | P239 S243 | P239-S241 PolarHBondContact O-N 3.5Å; S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 2.87Å |
| 242 | N | 38.3 | Very low | 47 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -55.4 | 74.4 | 176.8 | -64.3 | -33.3 | 0 | 0 | 0 | 114.4 | | |
| 243 | S | 47 | Very low | 47.9 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -125.4 | 7.5 | 171.3 | 93.3 | 0 | 0 | 0 | 0 | 115.3 | S241 | S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 2.87Å |
| 244 | L | 46.5 | Very low | 48.9 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -108.2 | 17.9 | 175.2 | -77.3 | 167.2 | 0 | 0 | 0 | 113.5 | K246 I247 | L244-K246 PolarHBondContact O-N 3.26Å; L244-I247 HydrophobicContact CD2-CD1 4.35Å |
| 245 | Q | 45.9 | Very low | 50 | Low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 18.9 | -172.8 | -131 | 177.2 | 7.8 | 0 | 0 | 115.1 | | |
| 246 | K | 46.9 | Very low | 51.2 | Low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | 54.5 | 179.2 | -65.4 | -170.3 | -179.7 | -178 | 0 | 112.5 | L244 | L244-K246 PolarHBondContact O-N 3.26Š|
| 247 | I | 48.7 | Very low | 52.6 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | | | trans | -98.7 | 95.1 | 156.3 | -45.6 | 180 | 0 | 0 | 0 | 106.7 | L244 | L244-I247 HydrophobicContact CD2-CD1 4.35Š|
| 248 | S | 46.5 | Very low | 53.6 | Low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | | | trans | -55.3 | 130.6 | -174.4 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 249 | K | 54.1 | Low | 54.7 | Low | 182 Ų | 182 | 134.4 Ų | 134.4 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | | | trans | 49 | 98.4 | 144.7 | -58.9 | 178.9 | -176.3 | -177.3 | 0 | 116.1 | K251 | K249-K251 PolarHBondContact O-N 3.34Š|
| 250 | S | 56.7 | Low | 56.1 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | | | trans | -45 | 107.4 | 156.2 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | S252 | S250-S252 PolarHBondContact O-N 3.07Å; S250-S252 VanDerWaalsContact O-N 3.09Å |
| 251 | K | 60.6 | Low | 57.6 | Low | 195 Ų | 195 | 137.4 Ų | 137.4 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | | | trans | -66.7 | 107.4 | 168.1 | -68.4 | -173.2 | 178.1 | -175.9 | 0 | 106.9 | K249 T253 | K249-K251 PolarHBondContact O-N 3.34Å; K251-T253 PolarHBondContact O-N 2.84Å; K251-T253 VanDerWaalsContact O-N 3.11Å |
| 252 | S | 56.9 | Low | 59.2 | Low | 91 Ų | 91 | 135.6 Ų | 135.6 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | | | trans | -56.6 | 113.3 | 166.1 | 164.2 | 0 | 0 | 0 | 0 | 107.4 | S250 T254 | S250-S252 PolarHBondContact O-N 3.07Å; S250-S252 VanDerWaalsContact O-N 3.09Å; S252-T254 VanDerWaalsContact C-N 3.33Å; S252-T254 PolarHBondContact O-N 3.24Å; S252-T254 PolarHBondContact O-OG1 3.1Å |
| 253 | T | 60.9 | Low | 61.1 | Low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | | | trans | -68.5 | 93.7 | 171.6 | 50.1 | 0 | 0 | 0 | 0 | 108.5 | K251 D257 | K251-T253 PolarHBondContact O-N 2.84Å; K251-T253 VanDerWaalsContact O-N 3.11Å; T253-D257 VanDerWaalsContact CA-OD2 3.31Å; T253-D257 WeakPolarHBondContact CA-OD2 3.33Å |
| 254 | T | 64.8 | Low | 62.5 | Low | 76 Ų | 76 | 137.2 Ų | 137.2 | 47% | 0.466 | 70% | 0.697 | S | S | . | * | | | trans | -79.1 | 157.4 | 169.3 | 6.2 | 0 | 0 | 0 | 0 | 109.6 | S252 Q256 D257 | S252-T254 VanDerWaalsContact C-N 3.33Å; S252-T254 PolarHBondContact O-N 3.24Å; S252-T254 PolarHBondContact O-OG1 3.1Å; T254-Q256 PolarHBondContact O-N 3.47Å; T254-D257 PolarHBondContact N-OD2 3.12Å; T254-D257 WeakPolarHBondContact O-CB 3.42Å; T254-D257 PolarHBondContact O-N 3Å; T254-D257 PolarHBondContact OG1-OD2 3.27Å; T254-D257 VanDerWaalsContact OG1-OD2 3.1Å |
| 255 | Q | 61.5 | Low | 64.1 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -58.6 | -14.6 | 179.1 | -155.5 | 175.9 | 9.5 | 0 | 0 | 113.6 | D257 | Q255-D257 VanDerWaalsContact C-N 3.35Š|
| 256 | Q | 67.3 | Low | 65.7 | Low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -78.1 | -15.1 | 173.4 | -64.2 | -172.9 | -14.4 | 0 | 0 | 113.9 | T254 F258 | T254-Q256 PolarHBondContact O-N 3.47Å; Q256-F258 PolarHBondContact O-N 2.86Å |
| 257 | D | 69.5 | Low | 67.1 | Low | 93 Ų | 93 | 128.4 Ų | 128.4 | 50% | 0.497 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -82.3 | -2.3 | -179.4 | -62.1 | -47.7 | 0 | 0 | 0 | 113.1 | T253 T254 Q255 | T253-D257 VanDerWaalsContact CA-OD2 3.31Å; T253-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 PolarHBondContact N-OD2 3.12Å; T254-D257 WeakPolarHBondContact O-CB 3.42Å; T254-D257 PolarHBondContact O-N 3Å; T254-D257 PolarHBondContact OG1-OD2 3.27Å; T254-D257 VanDerWaalsContact OG1-OD2 3.1Å; Q255-D257 VanDerWaalsContact C-N 3.35Å |
| 258 | F | 66.9 | Low | 68.3 | Low | 139 Ų | 139 | 127.9 Ų | 127.9 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90.9 | 131.5 | 173.6 | -66.5 | -81.9 | 0 | 0 | 0 | 110.6 | Q256 K260 | Q256-F258 PolarHBondContact O-N 2.86Å; F258-K260 PolarHBondContact O-N 2.97Å; F258-K260 VanDerWaalsContact O-N 3.14Å |
| 259 | P | 74.8 | Confident | 69.2 | Low | 87 Ų | 87 | 128.5 Ų | 128.5 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | | | trans | -54.7 | 121.2 | 169.8 | -21.2 | 30.8 | 0 | 0 | 0 | 109.9 | Y261 | P259-Y261 HydrophobicContact CB-CE1 4.32Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 WeakPolarHBondContact O-CD2 3.39Å; P259-Y261 PolarHBondContact O-N 3.18Å; P259-Y261 VanDerWaalsContact O-N 3.09Å |
| 260 | K | 74.8 | Confident | 69.5 | Low | 199 Ų | 199 | 130.3 Ų | 130.3 | 87% | 0.865 | 65% | 0.654 | S | S | * | * | | | trans | -76.3 | 95.9 | 171.9 | -72.8 | -177 | -178.9 | 177.3 | 0 | 108.2 | F258 | F258-K260 PolarHBondContact O-N 2.97Å; F258-K260 VanDerWaalsContact O-N 3.14Å |
| 261 | Y | 74.9 | Confident | 69.5 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | | | trans | -71 | 135.5 | 171.8 | -61.8 | -72.1 | 0 | 0 | 0 | 110.6 | P259 E265 L266 | P259-Y261 HydrophobicContact CB-CE1 4.32Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 WeakPolarHBondContact O-CD2 3.39Å; P259-Y261 PolarHBondContact O-N 3.18Å; P259-Y261 VanDerWaalsContact O-N 3.09Å; Y261-E265 WeakPolarHBondContact CA-OE2 3.5Å; Y261-E265 HydrophobicContact CD1-CB 4.33Å; Y261-L266 HydrophobicContact CD2-CD2 4.35Å; Y261-L266 HydrophobicContact CG-CD2 4.34Å |
| 262 | S | 79.1 | Confident | 69.1 | Low | 55 Ų | 55 | 133.4 Ų | 133.4 | 39% | 0.385 | 65% | 0.648 | S | S | . | * | | | trans | -65.9 | 156.1 | 168.9 | 73.3 | 0 | 0 | 0 | 0 | 110.4 | Q264 E265 L266 | S262-Q264 PolarHBondContact O-N 3.36Å; S262-Q264 VanDerWaalsContact O-N 3.09Å; S262-E265 PolarHBondContact N-OE2 3.28Å; S262-E265 PolarHBondContact O-N 3.22Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 WeakPolarHBondContact OG-CG 3.5Å; S262-E265 PolarHBondContact OG-N 3.26Å; S262-E265 PolarHBondContact OG-OE2 3Å; S262-L266 PolarHBondContact O-N 3.43Å; S262-L266 VanDerWaalsContact O-N 3.11Å |
| 263 | L | 78.1 | Confident | 68.7 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 68% | 0.675 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.2 | -25.5 | 178.5 | -150.4 | 147 | 0 | 0 | 0 | 111.8 | K267 | L263-K267 HydrophobicContact CD2-CD 4.39Å; L263-K267 WeakPolarHBondContact O-CG 3.43Å; L263-K267 PolarHBondContact O-N 3.29Å |
| 264 | Q | 77.8 | Confident | 68.2 | Low | 156 Ų | 156 | 137.2 Ų | 137.2 | 73% | 0.729 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.5 | -42.9 | 175.7 | -170.8 | 166.2 | -8.2 | 0 | 0 | 112.4 | S262 L266 K267 E268 | S262-Q264 PolarHBondContact O-N 3.36Å; S262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.15Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.45Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; Q264-E268 PolarHBondContact O-N 3.26Å |
| 265 | E | 79.6 | Confident | 67.4 | Low | 86 Ų | 86 | 142.7 Ų | 142.7 | 40% | 0.402 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.8 | -38 | 175.3 | -71 | 167.5 | 155.6 | 0 | 0 | 111.8 | Y261 S262 K267 E268 C269 | Y261-E265 WeakPolarHBondContact CA-OE2 3.5Å; Y261-E265 HydrophobicContact CD1-CB 4.33Å; S262-E265 PolarHBondContact N-OE2 3.28Å; S262-E265 PolarHBondContact O-N 3.22Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 WeakPolarHBondContact OG-CG 3.5Å; S262-E265 PolarHBondContact OG-N 3.26Å; S262-E265 PolarHBondContact OG-OE2 3Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.11Å; E265-E268 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.07Å; E265-C269 VanDerWaalsContact O-SG 3.38Å |
| 266 | L | 79.3 | Confident | 67 | Low | 90 Ų | 90 | 142.3 Ų | 142.3 | 47% | 0.471 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65 | -34 | 174.8 | -68.5 | 176.9 | 0 | 0 | 0 | 112.4 | Y261 S262 Q264 R270 | Y261-L266 HydrophobicContact CD2-CD2 4.35Å; Y261-L266 HydrophobicContact CG-CD2 4.34Å; S262-L266 PolarHBondContact O-N 3.43Å; S262-L266 VanDerWaalsContact O-N 3.11Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.15Å; L266-R270 PolarHBondContact O-N 3.46Å |
| 267 | K | 76.9 | Confident | 66.1 | Low | 141 Ų | 141 | 136.3 Ų | 136.3 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.8 | -42 | 173.6 | -77.8 | 179.2 | 176.3 | -178.2 | 0 | 111.3 | L263 Q264 E265 R270 Q271 | L263-K267 HydrophobicContact CD2-CD 4.39Å; L263-K267 WeakPolarHBondContact O-CG 3.43Å; L263-K267 PolarHBondContact O-N 3.29Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.45Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.11Å; K267-R270 PolarHBondContact O-N 3.45Å; K267-Q271 PolarHBondContact O-N 3.25Å |
| 268 | E | 73.8 | Confident | 65 | Low | 140 Ų | 140 | 138.8 Ų | 138.8 | 65% | 0.654 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.5 | -40.1 | 177.1 | -168.9 | 176.4 | 174.7 | 0 | 0 | 112.1 | Q264 E265 R270 Q271 | Q264-E268 PolarHBondContact O-N 3.26Å; E265-E268 PolarHBondContact O-N 3.09Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.48Å; E268-Q271 PolarHBondContact O-N 2.8Å |
| 269 | C | 65.4 | Low | 64.4 | Low | 106 Ų | 106 | 142.2 Ų | 142.2 | 72% | 0.716 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.7 | -31.9 | 174.4 | -74 | 0 | 0 | 0 | 0 | 113.3 | E265 | E265-C269 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.07Å; E265-C269 VanDerWaalsContact O-SG 3.38Å |
| 270 | R | 60.2 | Low | 63.4 | Low | 221 Ų | 221 | 146.1 Ų | 146.1 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -80.9 | -24 | 175.1 | -78.5 | -172.5 | -179.3 | -164.6 | 1.3 | 113 | L266 K267 E268 R272 | L266-R270 PolarHBondContact O-N 3.46Å; K267-R270 PolarHBondContact O-N 3.45Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.48Å; R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 3.31Å |
| 271 | Q | 57.5 | Low | 62.4 | Low | 152 Ų | 152 | 141.7 Ų | 141.7 | 71% | 0.71 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -72.8 | 93.4 | 178.3 | -154 | 155 | 25 | 0 | 0 | 107.3 | K267 E268 R273 | K267-Q271 PolarHBondContact O-N 3.25Å; E268-Q271 PolarHBondContact O-N 2.8Å; Q271-R273 PolarHBondContact O-N 2.98Å |
| 272 | R | 50.7 | Low | 61.5 | Low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | | | trans | -32.1 | 115.4 | -179.4 | -70.6 | -173.8 | 170.5 | 172.1 | -2.3 | 109.2 | R270 S274 | R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 3.31Å; R272-S274 PolarHBondContact O-N 3.31Å |
| 273 | R | 49.6 | Very low | 60.5 | Low | 204 Ų | 204 | 148.2 Ų | 148.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | trans | -52.6 | 98.7 | 154.4 | -71.6 | -175.8 | -169.1 | 178.7 | 3.4 | 104.7 | Q271 Y275 | Q271-R273 PolarHBondContact O-N 2.98Å; R273-Y275 HydrophobicContact CB-CD2 4.06Å; R273-Y275 HydrophobicContact CB-CE2 4.03Å; R273-Y275 WeakPolarHBondContact O-CD2 3.3Å; R273-Y275 PolarHBondContact O-N 3.46Å |
| 274 | S | 49.9 | Very low | 59.2 | Low | 82 Ų | 82 | 151.6 Ų | 151.6 | 57% | 0.573 | 72% | 0.715 | S | S | * | * | | | trans | -60.6 | 95.5 | 165.6 | -172.1 | 0 | 0 | 0 | 0 | 103.9 | R272 H276 | R272-S274 PolarHBondContact O-N 3.31Å; S274-H276 PolarHBondContact O-N 3.48Å; S274-H276 PolarHBondContact OG-CD2 3Å; S274-H276 VanDerWaalsContact OG-CD2 3.27Å; S274-H276 PolarHBondContact OG-NE2 3.33Å; S274-H276 VanDerWaalsContact OG-NE2 3.12Å |
| 275 | Y | 47.9 | Very low | 58.2 | Low | 190 Ų | 190 | 149.2 Ų | 149.2 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | | | trans | -68.8 | 79.2 | 174.7 | -91 | -88.7 | 0 | 0 | 0 | 107 | R273 G277 | R273-Y275 HydrophobicContact CB-CD2 4.06Å; R273-Y275 HydrophobicContact CB-CE2 4.03Å; R273-Y275 WeakPolarHBondContact O-CD2 3.3Å; R273-Y275 PolarHBondContact O-N 3.46Å; Y275-G277 PolarHBondContact O-N 2.95Å |
| 276 | H | 52.8 | Low | 56.6 | Low | 173 Ų | 173 | 153.5 Ų | 153.5 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | | | trans | -82.9 | 89.4 | 153.5 | -67.6 | -64.4 | 0 | 0 | 0 | 106 | S274 | S274-H276 PolarHBondContact O-N 3.48Å; S274-H276 PolarHBondContact OG-CD2 3Å; S274-H276 VanDerWaalsContact OG-CD2 3.27Å; S274-H276 PolarHBondContact OG-NE2 3.33Å; S274-H276 VanDerWaalsContact OG-NE2 3.12Å |
| 277 | G | 48.6 | Very low | 54.9 | Low | 50 Ų | 50 | 153.8 Ų | 153.8 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | | | trans | 175.5 | 97.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y275 | Y275-G277 PolarHBondContact O-N 2.95Š|
| 278 | N | 46.1 | Very low | 53.5 | Low | 145 Ų | 145 | 155.4 Ų | 155.4 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | 75.6 | 111.7 | 157.7 | -56.5 | -5.3 | 0 | 0 | 0 | 116.6 | E280 | N278-E280 PolarHBondContact O-N 2.81Š|
| 279 | K | 54.2 | Low | 52.2 | Low | 211 Ų | 211 | 154.9 Ų | 154.9 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | | | trans | -68.9 | 30.9 | 170.5 | -61.2 | -176.9 | 177.3 | -179 | 0 | 113.2 | S281 | K279-S281 PolarHBondContact O-N 2.81Å; K279-S281 VanDerWaalsContact O-N 3.11Å |
| 280 | E | 54.6 | Low | 51.1 | Low | 169 Ų | 169 | 157.4 Ų | 157.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | -85.9 | 64.9 | 160.6 | -72.5 | 178.4 | -177.3 | 0 | 0 | 106.5 | N278 L282 | N278-E280 PolarHBondContact O-N 2.81Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å |
| 281 | S | 52.6 | Low | 50.2 | Low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -58 | 105.8 | 164.5 | -77.4 | 0 | 0 | 0 | 0 | 106.1 | K279 E283 | K279-S281 PolarHBondContact O-N 2.81Å; K279-S281 VanDerWaalsContact O-N 3.11Å; S281-E283 PolarHBondContact O-N 3.06Å |
| 282 | L | 56.6 | Low | 49.6 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -47.8 | 117.8 | 155 | -91.4 | 95.2 | 0 | 0 | 0 | 105.8 | E280 W284 | E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å; L282-W284 PolarHBondContact O-N 3.37Å |
| 283 | E | 57.8 | Low | 48.9 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -59.6 | 84.7 | 164.9 | -75.4 | 177.9 | 170.4 | 0 | 0 | 106.9 | S281 | S281-E283 PolarHBondContact O-N 3.06Š|
| 284 | W | 51.6 | Low | 48.7 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | | | trans | -56.9 | 130.7 | 153.8 | -82.2 | 94.3 | 0 | 0 | 0 | 105.7 | L282 F286 | L282-W284 PolarHBondContact O-N 3.37Å; W284-F286 PolarHBondContact O-N 2.89Å |
| 285 | P | 55.7 | Low | 48.6 | Very low | 106 Ų | 106 | 148 Ų | 148 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -73.1 | 31.4 | -169.8 | 29.9 | -35.6 | 0 | 0 | 0 | 113.6 | | |
| 286 | F | 46.2 | Very low | 48.6 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 77% | 0.772 | 78% | 0.775 | S | S | * | * | | | trans | -125.2 | 69.9 | 175.8 | -61.8 | -73.3 | 0 | 0 | 0 | 108.8 | W284 E288 | W284-F286 PolarHBondContact O-N 2.89Å; F286-E288 PolarHBondContact O-N 2.9Å |
| 287 | S | 45.1 | Very low | 48 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -73.4 | 113.4 | 164.2 | -33.1 | 0 | 0 | 0 | 0 | 107.8 | T289 | S287-T289 PolarHBondContact O-N 3.4Š|
| 288 | E | 45.9 | Very low | 47.9 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -63 | 96.9 | 168.3 | -70.1 | 175 | 163 | 0 | 0 | 109 | F286 N290 | F286-E288 PolarHBondContact O-N 2.9Å; E288-N290 PolarHBondContact O-N 3.4Å |
| 289 | T | 47.3 | Very low | 48 | Very low | 128 Ų | 128 | 153.2 Ų | 153.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 92.5 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | S287 G291 | S287-T289 PolarHBondContact O-N 3.4Å; T289-G291 PolarHBondContact O-N 3.5Å |
| 290 | N | 42.3 | Very low | 47.3 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -66.9 | 101.7 | 155.4 | -62.9 | -44.3 | 0 | 0 | 0 | 107.2 | E288 | E288-N290 PolarHBondContact O-N 3.4Š|
| 291 | G | 41.6 | Very low | 46.8 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -156.2 | 113.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T289 | T289-G291 PolarHBondContact O-N 3.5Š|
| 292 | S | 45.2 | Very low | 46.3 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -46.9 | 134.5 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | K294 | S292-K294 PolarHBondContact O-N 2.97Š|
| 293 | T | 36.1 | Very low | 45.8 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -47.3 | 116.3 | 158 | 42 | 0 | 0 | 0 | 0 | 112 | | |
| 294 | K | 44.6 | Very low | 45.4 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | trans | -145.2 | 145.2 | 139 | -73.2 | -157.2 | 176.6 | -177.1 | 0 | 109 | S292 | S292-K294 PolarHBondContact O-N 2.97Š|
| 295 | E | 48.2 | Very low | 45.4 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -57.7 | 160.6 | -166.4 | -77 | 158.4 | 157.8 | 0 | 0 | 115.6 | | |
| 296 | E | 46.7 | Very low | 45.2 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | 61.2 | 97.5 | 145.3 | -68.6 | 165 | -165.2 | 0 | 0 | 116.4 | | |
| 297 | D | 41.6 | Very low | 45.2 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | | | | -164.7 | 136.1 | 105.2 | -105.6 | -25.1 | 0 | 0 | 0 | 112.1 | | |
| 298 | E | 45.8 | Very low | 45.2 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -52.6 | 133.5 | 173.3 | -59.7 | 172.1 | 143.6 | 0 | 0 | 110.4 | | |
| 299 | L | 49 | Very low | 45.5 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | 166 | 108.6 | 139.3 | -86.3 | 154.1 | 0 | 0 | 0 | 110.5 | G301 | L299-G301 PolarHBondContact O-N 2.96Å; L299-G301 VanDerWaalsContact O-N 3.15Å |
| 300 | G | 38.7 | Very low | 45.9 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | 78.9 | 1.3 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | S302 | G300-S302 PolarHBondContact O-N 3.41Š|
| 301 | G | 44 | Very low | 46.4 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | -78.5 | 103.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L299 H303 | L299-G301 PolarHBondContact O-N 2.96Å; L299-G301 VanDerWaalsContact O-N 3.15Å; G301-H303 PolarHBondContact O-N 2.91Å |
| 302 | S | 42.7 | Very low | 47.2 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -57.2 | 96.8 | 171.6 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | G300 Y304 | G300-S302 PolarHBondContact O-N 3.41Å; S302-Y304 PolarHBondContact O-N 3.38Å; S302-Y304 VanDerWaalsContact O-N 3.16Å |
| 303 | H | 45.8 | Very low | 47.9 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -68.5 | 110.8 | 176.4 | -161.9 | 67.4 | 0 | 0 | 0 | 107.6 | G301 H305 | G301-H303 PolarHBondContact O-N 2.91Å; H303-H305 VanDerWaalsContact C-N 3.32Å; H303-H305 PolarHBondContact O-N 3.22Å |
| 304 | Y | 49.8 | Very low | 49.1 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | -56.7 | 103.8 | 163.7 | -82.4 | -88.5 | 0 | 0 | 0 | 106.7 | S302 R306 | S302-Y304 PolarHBondContact O-N 3.38Å; S302-Y304 VanDerWaalsContact O-N 3.16Å; Y304-R306 PolarHBondContact O-N 3.11Å |
| 305 | H | 50.7 | Low | 50.2 | Low | 165 Ų | 165 | 130.1 Ų | 130.1 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | | | trans | -56.8 | 106.3 | 167.9 | -78.6 | -66.3 | 0 | 0 | 0 | 106.4 | H303 S307 | H303-H305 VanDerWaalsContact C-N 3.32Å; H303-H305 PolarHBondContact O-N 3.22Å; H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 PolarHBondContact O-N 3.05Å |
| 306 | R | 51.4 | Low | 51.3 | Low | 240 Ų | 240 | 128 Ų | 128 | 91% | 0.906 | 71% | 0.711 | S | S | * | * | | | trans | -48 | 110.6 | 157.6 | -103.2 | -179.3 | 163.2 | 175.3 | -3.3 | 104.8 | Y304 S308 | Y304-R306 PolarHBondContact O-N 3.11Å; R306-S308 PolarHBondContact O-N 3.23Å |
| 307 | S | 45.9 | Very low | 52.3 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | | | trans | -45 | 111 | 178 | -42.2 | 0 | 0 | 0 | 0 | 106.4 | H305 A309 | H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 PolarHBondContact O-N 3.05Å; S307-A309 PolarHBondContact O-N 3.13Å; S307-A309 VanDerWaalsContact O-N 3.16Å |
| 308 | S | 46.8 | Very low | 53.9 | Low | 64 Ų | 64 | 128.9 Ų | 128.9 | 45% | 0.448 | 71% | 0.708 | S | S | . | * | | | trans | -50.7 | 131.4 | 167.6 | 52.1 | 0 | 0 | 0 | 0 | 104.7 | R306 V310 Q313 | R306-S308 PolarHBondContact O-N 3.23Å; S308-V310 CarbonylContact O-C 3.6Å; S308-V310 PolarHBondContact O-N 3.08Å; S308-Q313 PolarHBondContact OG-OE1 3.2Å |
| 309 | A | 52.3 | Low | 55.2 | Low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -60.3 | 7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S307 I311 | S307-A309 PolarHBondContact O-N 3.13Å; S307-A309 VanDerWaalsContact O-N 3.16Å; A309-I311 PolarHBondContact O-N 3.25Å |
| 310 | V | 55.5 | Low | 56.3 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | | | trans | -77 | 75.2 | 162.5 | -165.9 | 0 | 0 | 0 | 0 | 108.6 | S308 G312 Q313 | S308-V310 CarbonylContact O-C 3.6Å; S308-V310 PolarHBondContact O-N 3.08Å; V310-G312 PolarHBondContact O-N 3.22Å; V310-Q313 HydrophobicContact CB-CB 4.11Å; V310-Q313 HydrophobicContact CG1-CB 3.86Å; V310-Q313 PolarHBondContact O-N 2.97Å; V310-Q313 VanDerWaalsContact O-N 3.13Å |
| 311 | I | 53 | Low | 57.6 | Low | 174 Ų | 174 | 121.8 Ų | 121.8 | 89% | 0.892 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | 111 | 160.2 | -63 | 170.3 | 0 | 0 | 0 | 106.4 | A309 | A309-I311 PolarHBondContact O-N 3.25Š|
| 312 | G | 56.6 | Low | 58.4 | Low | 28 Ų | 28 | 128.5 Ų | 128.5 | 29% | 0.289 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 110.3 | -0.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | V310 G314 F315 L316 | V310-G312 PolarHBondContact O-N 3.22Å; G312-G314 PolarHBondContact O-N 3.03Å; G312-F315 CarbonylContact O-C 3.38Å; G312-F315 WeakPolarHBondContact O-CA 3.33Å; G312-F315 WeakPolarHBondContact O-CB 3.5Å; G312-F315 PolarHBondContact O-N 2.98Å; G312-L316 PolarHBondContact O-N 3.47Å |
| 313 | Q | 61.5 | Low | 59 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -61.5 | -46.4 | 175.3 | -168 | 169 | 0.3 | 0 | 0 | 111.9 | S308 V310 F315 L316 E317 | S308-Q313 PolarHBondContact OG-OE1 3.2Å; V310-Q313 HydrophobicContact CB-CB 4.11Å; V310-Q313 HydrophobicContact CG1-CB 3.86Å; V310-Q313 PolarHBondContact O-N 2.97Å; V310-Q313 VanDerWaalsContact O-N 3.13Å; Q313-F315 PolarHBondContact O-N 3.26Å; Q313-L316 PolarHBondContact O-N 3.17Å; Q313-E317 PolarHBondContact O-N 3Å |
| 314 | G | 60.7 | Low | 59.2 | Low | 45 Ų | 45 | 126 Ų | 126 | 46% | 0.464 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.1 | -20.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G312 K318 | G312-G314 PolarHBondContact O-N 3.03Å; G314-K318 WeakPolarHBondContact O-CB 3.41Å; G314-K318 WeakPolarHBondContact O-CG 3.47Å; G314-K318 PolarHBondContact O-N 3.49Å |
| 315 | F | 68 | Low | 59.4 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.6 | -44.9 | 172.8 | -179.2 | -91.2 | 0 | 0 | 0 | 111 | G312 Q313 E317 K318 F319 | G312-F315 CarbonylContact O-C 3.38Å; G312-F315 WeakPolarHBondContact O-CA 3.33Å; G312-F315 WeakPolarHBondContact O-CB 3.5Å; G312-F315 PolarHBondContact O-N 2.98Å; Q313-F315 PolarHBondContact O-N 3.26Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.44Å; F315-K318 PolarHBondContact O-N 2.89Å; F315-F319 AromaticContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CE2 4.08Å; F315-F319 HydrophobicContact CD2-CG 4.39Å; F315-F319 HydrophobicContact CE1-CB 4.3Å; F315-F319 HydrophobicContact CE2-CB 4.3Å; F315-F319 AromaticContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CE2 4.22Å; F315-F319 HydrophobicContact CE2-CG 4.13Å; F315-F319 HydrophobicContact CG-CD2 4.14Å; F315-F319 HydrophobicContact CZ-CB 4.14Å; F315-F319 HydrophobicContact CZ-CD2 4.32Å; F315-F319 HydrophobicContact CZ-CG 4.43Å; F315-F319 WeakPolarHBondContact O-CA 3.4Å; F315-F319 WeakPolarHBondContact O-CB 3.29Å; F315-F319 PolarHBondContact O-N 3.3Å |
| 316 | L | 70.8 | Confident | 59.5 | Low | 122 Ų | 122 | 119.7 Ų | 119.7 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.7 | -33.8 | 172.8 | -98.5 | 102.3 | 0 | 0 | 0 | 112.1 | G312 Q313 G320 | G312-L316 PolarHBondContact O-N 3.47Å; Q313-L316 PolarHBondContact O-N 3.17Å; L316-G320 WeakPolarHBondContact O-CA 3.38Å; L316-G320 PolarHBondContact O-N 3.15Å |
| 317 | E | 67.6 | Low | 59.6 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 78% | 0.78 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.6 | -37 | 176.9 | -167.4 | 173.8 | -171.5 | 0 | 0 | 112.4 | Q313 F315 | Q313-E317 PolarHBondContact O-N 3Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.44Å |
| 318 | K | 74.6 | Confident | 59.9 | Low | 172 Ų | 172 | 120.2 Ų | 120.2 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -85.4 | -33.1 | 179.2 | -71.7 | -170.8 | 178.8 | -167.1 | 0 | 114.3 | G314 F315 | G314-K318 WeakPolarHBondContact O-CB 3.41Å; G314-K318 WeakPolarHBondContact O-CG 3.47Å; G314-K318 PolarHBondContact O-N 3.49Å; F315-K318 PolarHBondContact O-N 2.89Å |
| 319 | F | 74.3 | Confident | 60 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -129.7 | -8.2 | -168.9 | -57.3 | -76.2 | 0 | 0 | 0 | 114.1 | F315 | F315-F319 AromaticContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CE2 4.08Å; F315-F319 HydrophobicContact CD2-CG 4.39Å; F315-F319 HydrophobicContact CE1-CB 4.3Å; F315-F319 HydrophobicContact CE2-CB 4.3Å; F315-F319 AromaticContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CE2 4.22Å; F315-F319 HydrophobicContact CE2-CG 4.13Å; F315-F319 HydrophobicContact CG-CD2 4.14Å; F315-F319 HydrophobicContact CZ-CB 4.14Å; F315-F319 HydrophobicContact CZ-CD2 4.32Å; F315-F319 HydrophobicContact CZ-CG 4.43Å; F315-F319 WeakPolarHBondContact O-CA 3.4Å; F315-F319 WeakPolarHBondContact O-CB 3.29Å; F315-F319 PolarHBondContact O-N 3.3Å |
| 320 | G | 70.6 | Confident | 59.5 | Low | 21 Ų | 21 | 131.5 Ų | 131.5 | 22% | 0.216 | 68% | 0.678 | C | S | . | * | S | Bend | trans | -71.5 | 158.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L316 K322 | L316-G320 WeakPolarHBondContact O-CA 3.38Å; L316-G320 PolarHBondContact O-N 3.15Å; G320-K322 PolarHBondContact O-N 2.88Å |
| 321 | P | 66.9 | Low | 59.2 | Low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | | | trans | -58.4 | 128.9 | 175.2 | 23.2 | -30.8 | 0 | 0 | 0 | 109.6 | S323 | P321-S323 PolarHBondContact O-N 2.99Š|
| 322 | K | 60.8 | Low | 59 | Low | 212 Ų | 212 | 130.7 Ų | 130.7 | 92% | 0.922 | 68% | 0.676 | S | S | * | * | | | trans | -66.6 | 78.4 | 175.9 | -65 | 179.9 | -179 | 178.1 | 0 | 109.7 | G320 | G320-K322 PolarHBondContact O-N 2.88Š|
| 323 | S | 56 | Low | 58.6 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 49% | 0.49 | 69% | 0.693 | S | S | . | * | | | trans | -79.1 | 126.8 | 171.8 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | P321 S325 | P321-S323 PolarHBondContact O-N 2.99Å; S323-S325 PolarHBondContact O-N 3.01Å |
| 324 | P | 49.5 | Very low | 58 | Low | 141 Ų | 141 | 135.1 Ų | 135.1 | 92% | 0.916 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -70.6 | 18.5 | -175.3 | -18 | 31.1 | 0 | 0 | 0 | 116.1 | | |
| 325 | S | 53.2 | Low | 57.5 | Low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | trans | -143.6 | 55.7 | -162.6 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | S323 | S323-S325 PolarHBondContact O-N 3.01Š|
| 326 | L | 54.2 | Low | 56.8 | Low | 152 Ų | 152 | 136.7 Ų | 136.7 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | | | trans | -128.6 | 5.4 | 165.9 | -78 | 174.2 | 0 | 0 | 0 | 114.7 | K328 | L326-K328 VanDerWaalsContact C-N 3.32Å; L326-K328 PolarHBondContact O-N 3.2Å |
| 327 | N | 52.9 | Low | 56 | Low | 165 Ų | 165 | 134.9 Ų | 134.9 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | | | trans | -89.4 | 14.3 | 179.8 | -64.3 | -9.1 | 0 | 0 | 0 | 114.4 | K329 | N327-K329 PolarHBondContact O-N 3.16Š|
| 328 | K | 52.5 | Low | 55.2 | Low | 202 Ų | 202 | 129.7 Ų | 129.7 | 88% | 0.878 | 70% | 0.701 | S | S | * | * | | | trans | -88.1 | 89.4 | 169.2 | -76.7 | -172 | 178.8 | 179.3 | 0 | 109.5 | L326 R330 | L326-K328 VanDerWaalsContact C-N 3.32Å; L326-K328 PolarHBondContact O-N 3.2Å; K328-R330 PolarHBondContact O-N 3.48Å |
| 329 | K | 47.9 | Very low | 53.9 | Low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | | | trans | -27.8 | 92.9 | 156.5 | -131.6 | 177.4 | -177.2 | -178.1 | 0 | 110.9 | N327 T331 | N327-K329 PolarHBondContact O-N 3.16Å; K329-T331 PolarHBondContact O-N 3.4Å |
| 330 | R | 42.2 | Very low | 52.8 | Low | 208 Ų | 208 | 124.8 Ų | 124.8 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -90.8 | 85 | 159.1 | -95.3 | -168.8 | 177.8 | 171.6 | 1 | 107 | K328 N332 D333 | K328-R330 PolarHBondContact O-N 3.48Å; R330-N332 PolarHBondContact O-N 2.93Å; R330-D333 IonicContact NH1-OD2 2.84Å |
| 331 | T | 50.1 | Low | 52 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 124.2 | 151.1 | 47.5 | 0 | 0 | 0 | 0 | 106.3 | K329 | K329-T331 PolarHBondContact O-N 3.4Š|
| 332 | N | 48.5 | Very low | 51.5 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.6 | 15.2 | 167.7 | -51 | -19.3 | 0 | 0 | 0 | 118.8 | R330 T334 | R330-N332 PolarHBondContact O-N 2.93Å; N332-T334 PolarHBondContact O-N 3.29Å |
| 333 | D | 47.8 | Very low | 51.2 | Low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 71% | 0.709 | S | S | * | * | | | trans | -93.4 | 86.4 | 165.2 | -72.9 | -23.7 | 0 | 0 | 0 | 110 | R330 | R330-D333 IonicContact NH1-OD2 2.84Š|
| 334 | T | 49.6 | Very low | 51.2 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | | | trans | -45.9 | 137.1 | 164.5 | -43.9 | 0 | 0 | 0 | 0 | 109.6 | N332 V336 | N332-T334 PolarHBondContact O-N 3.29Å; T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 PolarHBondContact O-N 3.26Å |
| 335 | P | 50.2 | Low | 51.8 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | | | trans | -71.4 | 82.5 | 177.9 | 29.9 | -34.6 | 0 | 0 | 0 | 110.3 | A337 A338 | P335-A337 PolarHBondContact O-N 3.03Å; P335-A338 PolarHBondContact O-N 2.93Å |
| 336 | V | 53.6 | Low | 52.1 | Low | 108 Ų | 108 | 133.4 Ų | 133.4 | 66% | 0.655 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.3 | -15.7 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | T334 S339 | T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 PolarHBondContact O-N 3.26Å; V336-S339 PolarHBondContact O-OG 3Å |
| 337 | A | 53.5 | Low | 52.2 | Low | 84 Ų | 84 | 129.1 Ų | 129.1 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.9 | -19.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P335 | P335-A337 PolarHBondContact O-N 3.03Å |
| 338 | A | 51 | Low | 52.3 | Low | 57 Ų | 57 | 129.4 Ų | 129.4 | 47% | 0.471 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -87.8 | -20 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P335 | P335-A338 PolarHBondContact O-N 2.93Å |
| 339 | S | 46.8 | Very low | 52.1 | Low | 66 Ų | 66 | 128.6 Ų | 128.6 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.7 | -24.6 | 178 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | V336 L341 R342 | V336-S339 PolarHBondContact O-OG 3Å; S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.19Å; S339-R342 PolarHBondContact O-N 3.43Å |
| 340 | M | 50.5 | Low | 51.9 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -22.9 | 177.8 | -60.5 | -154.7 | 85.7 | 0 | 0 | 113.3 | | |
| 341 | L | 54.6 | Low | 52.4 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -19.7 | 176.9 | -72.3 | 169.2 | 0 | 0 | 0 | 113.2 | S339 N343 | S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.19Å; L341-N343 VanDerWaalsContact C-N 3.29Å |
| 342 | R | 55.6 | Low | 52.6 | Low | 203 Ų | 203 | 123.9 Ų | 123.9 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -14 | 175 | -73.2 | -173.9 | 174.2 | -172 | -2.4 | 113.7 | S339 | S339-R342 PolarHBondContact O-N 3.43Š|
| 343 | N | 56 | Low | 52.8 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 13.9 | 178 | -65.2 | -11.3 | 0 | 0 | 0 | 112.9 | L341 | L341-N343 VanDerWaalsContact C-N 3.29Š|
| 344 | S | 54.4 | Low | 53.1 | Low | 41 Ų | 41 | 122.8 Ų | 122.8 | 29% | 0.287 | 71% | 0.714 | S | S | . | * | | | trans | -75 | 130.3 | 169.7 | 165.3 | 0 | 0 | 0 | 0 | 109.5 | Y346 A347 | S344-Y346 PolarHBondContact O-N 3.21Å; S344-Y346 PolarHBondContact OG-N 3.41Å; S344-A347 PolarHBondContact O-N 3.41Å |
| 345 | P | 62.7 | Low | 53.3 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -8.9 | 176.2 | 24.6 | -32.4 | 0 | 0 | 0 | 113.5 | | |
| 346 | Y | 59.7 | Low | 53.5 | Low | 203 Ų | 203 | 125.2 Ų | 125.2 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -0.6 | 177.4 | -65.9 | -82.4 | 0 | 0 | 0 | 114.5 | S344 F348 | S344-Y346 PolarHBondContact O-N 3.21Å; S344-Y346 PolarHBondContact OG-N 3.41Å; Y346-F348 VanDerWaalsContact C-N 3.29Å; Y346-F348 PolarHBondContact O-N 3.45Å |
| 347 | A | 57.1 | Low | 53.5 | Low | 62 Ų | 62 | 126.4 Ų | 126.4 | 51% | 0.512 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -82.5 | -0.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S344 | S344-A347 PolarHBondContact O-N 3.41Š|
| 348 | F | 53.3 | Low | 53.5 | Low | 170 Ų | 170 | 129.7 Ų | 129.7 | 75% | 0.746 | 73% | 0.728 | S | S | * | * | | | trans | -103.4 | 47.7 | -174.4 | -82.2 | -84.6 | 0 | 0 | 0 | 113.6 | Y346 | Y346-F348 VanDerWaalsContact C-N 3.29Å; Y346-F348 PolarHBondContact O-N 3.45Å |
| 349 | H | 49.3 | Very low | 53.7 | Low | 186 Ų | 186 | 135.8 Ų | 135.8 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | trans | -139.6 | 93.8 | 165.2 | -69 | -47.7 | 0 | 0 | 0 | 110 | | |
| 350 | G | 44.3 | Very low | 54.3 | Low | 156 Ų | 156 | 142.1 Ų | 142.1 | 100% | 1.608 | 78% | 0.775 | S | S | * | * | | | trans | -153.7 | 0 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |