| 1 | M | 46.4 | Very low | 60.6 | Low | 257 Ų | 257 | 147.5 Ų | 147.5 | 100% | 1.266 | 78% | 0.781 | S | S | * | * | | | | 0 | 120.6 | 0 | -64.2 | -164.3 | -172.4 | 0 | 0 | 108.5 | | |
| 2 | G | 52.4 | Low | 60.7 | Low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -161.1 | 86 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 3 | K | 56.2 | Low | 60.5 | Low | 220 Ų | 220 | 141.8 Ų | 141.8 | 96% | 0.957 | 77% | 0.765 | S | S | * | * | | | trans | -115 | 77.8 | 178.3 | -66.6 | 177.4 | -178.7 | 175.6 | 0 | 109.3 | | |
| 4 | A | 58.4 | Low | 59.3 | Low | 106 Ų | 106 | 137 Ų | 137 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | | | trans | -147.7 | 92.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 5 | G | 63.2 | Low | 58.5 | Low | 56 Ų | 56 | 142.8 Ų | 142.8 | 58% | 0.577 | 77% | 0.771 | S | S | * | * | | | trans | 179.8 | 18.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 6 | R | 66.5 | Low | 57.5 | Low | 233 Ų | 233 | 146.8 Ų | 146.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -100.9 | -15.3 | -173.6 | -76.2 | -177.4 | 150.6 | -99.9 | -0.3 | 115.5 | | |
| 7 | W | 70.9 | Confident | 56.7 | Low | 191 Ų | 191 | 143.5 Ų | 143.5 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -23.8 | -176.4 | 79 | -76.4 | 0 | 0 | 0 | 113.9 | K9 S10 I11 | W7-K9 VanDerWaalsContact C-N 3.29Å; W7-K9 PolarHBondContact O-N 2.79Å; W7-S10 PolarHBondContact O-N 3.43Å; W7-I11 HydrophobicContact CE3-CD1 4.43Å; W7-I11 HydrophobicContact CZ3-CD1 4.2Å |
| 8 | L | 62.8 | Low | 56 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 57% | 0.565 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -17.5 | -179.3 | -120.3 | 98.8 | 0 | 0 | 0 | 114.3 | | |
| 9 | K | 62.5 | Low | 55.3 | Low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -78.1 | -17.5 | 179.7 | -72.3 | -174.8 | 174.4 | 179.9 | 0 | 113.6 | W7 A13 | W7-K9 VanDerWaalsContact C-N 3.29Å; W7-K9 PolarHBondContact O-N 2.79Å; K9-A13 WeakPolarHBondContact O-CB 3.34Å; K9-A13 PolarHBondContact O-N 2.94Å |
| 10 | S | 63.9 | Low | 54.5 | Low | 88 Ų | 88 | 143.3 Ų | 143.3 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -86 | -6.4 | 178.8 | 84.1 | 0 | 0 | 0 | 0 | 114.2 | W7 | W7-S10 PolarHBondContact O-N 3.43Å |
| 11 | I | 63.4 | Low | 54.3 | Low | 117 Ų | 117 | 143.3 Ų | 143.3 | 60% | 0.6 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -97 | -30.2 | 179.3 | -64.3 | 174.1 | 0 | 0 | 0 | 111.1 | W7 | W7-I11 HydrophobicContact CE3-CD1 4.43Å; W7-I11 HydrophobicContact CZ3-CD1 4.2Å |
| 12 | L | 61.1 | Low | 54.2 | Low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -87.2 | -23.2 | 174.3 | -96.7 | 79.6 | 0 | 0 | 0 | 113.8 | G14 | L12-G14 PolarHBondContact O-N 3.38Å |
| 13 | A | 58.9 | Low | 53.3 | Low | 66 Ų | 66 | 141.4 Ų | 141.4 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | S | Bend | trans | -89.5 | 89.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | K9 R15 | K9-A13 WeakPolarHBondContact O-CB 3.34Å; K9-A13 PolarHBondContact O-N 2.94Å; A13-R15 PolarHBondContact O-N 3.35Å |
| 14 | G | 43.4 | Very low | 52.6 | Low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | | | trans | -41.2 | 104.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 K16 | L12-G14 PolarHBondContact O-N 3.38Å; G14-K16 PolarHBondContact O-N 3.04Å |
| 15 | R | 47.1 | Very low | 51.8 | Low | 224 Ų | 224 | 145.2 Ų | 145.2 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -74 | 86 | -177.2 | -171.2 | 174.1 | 178 | -111.2 | 3.2 | 110 | A13 S17 | A13-R15 PolarHBondContact O-N 3.35Å; R15-S17 PolarHBondContact O-N 3.43Å |
| 16 | K | 42.2 | Very low | 51 | Low | 207 Ų | 207 | 150 Ų | 150 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | | | trans | -74.7 | 89.2 | 166.5 | -169.5 | 170.1 | -177.9 | 178.7 | 0 | 108.5 | G14 G18 | G14-K16 PolarHBondContact O-N 3.04Å; K16-G18 PolarHBondContact O-N 2.8Å |
| 17 | S | 44.3 | Very low | 49.9 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | -79.7 | 97.7 | 172.1 | 65.1 | 0 | 0 | 0 | 0 | 109.6 | R15 V19 | R15-S17 PolarHBondContact O-N 3.43Å; S17-V19 PolarHBondContact O-N 3.27Å |
| 18 | G | 44.2 | Very low | 48.6 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | trans | -69 | 121.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K16 R20 | K16-G18 PolarHBondContact O-N 2.8Å; G18-R20 PolarHBondContact O-N 3.41Å |
| 19 | V | 42.8 | Very low | 47.7 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | | | trans | -64.4 | 120.6 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | S17 | S17-V19 PolarHBondContact O-N 3.27Š|
| 20 | R | 39.3 | Very low | 46.6 | Very low | 238 Ų | 238 | 145.9 Ų | 145.9 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | | | trans | -118.2 | 90 | 163.4 | -77.7 | -172.4 | -156.9 | 175.9 | 5.5 | 107.5 | G18 | G18-R20 PolarHBondContact O-N 3.41Š|
| 21 | D | 49.6 | Very low | 45.6 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | -102.5 | 98.8 | 164.6 | -76.5 | -44.1 | 0 | 0 | 0 | 109.6 | | |
| 22 | K | 45 | Very low | 44.6 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | trans | 14 | 104.1 | 144.8 | -56 | -176.8 | -177.7 | -175.8 | 0 | 116.7 | L24 | K22-L24 PolarHBondContact O-N 2.92Š|
| 23 | A | 33.5 | Very low | 44 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -67.3 | 118.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 24 | L | 42 | Very low | 43.9 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -163.8 | 85.2 | 160.2 | -102.8 | 155.4 | 0 | 0 | 0 | 107.2 | K22 | K22-L24 PolarHBondContact O-N 2.92Š|
| 25 | R | 41.8 | Very low | 44.1 | Very low | 248 Ų | 248 | 149.2 Ų | 149.2 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | -136.5 | 104.6 | 159.2 | -93.6 | -162.3 | 152.6 | -147.4 | -7.3 | 109.6 | Q27 | R25-Q27 PolarHBondContact O-N 3.43Š|
| 26 | H | 46.2 | Very low | 44.5 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -34.4 | 122.4 | 150.5 | -87.1 | -77.5 | 0 | 0 | 0 | 110.5 | | |
| 27 | Q | 43.2 | Very low | 44.6 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | | | | 90.1 | 96.8 | 84.2 | -167.5 | 172.4 | 18.8 | 0 | 0 | 110.7 | R25 | R25-Q27 PolarHBondContact O-N 3.43Š|
| 28 | Q | 43.4 | Very low | 44.5 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 60% | 0.603 | 78% | 0.782 | S | S | * | * | | | | 109.5 | 126.2 | 117.6 | -165.3 | 159.7 | -20.2 | 0 | 0 | 119.9 | | |
| 29 | Q | 43.8 | Very low | 44.4 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 76.1 | 113 | 156.9 | -76.1 | 159.1 | 7.7 | 0 | 0 | 117.8 | | |
| 30 | Q | 40.1 | Very low | 44.8 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | cis | 99.5 | 128.6 | 43.9 | -97 | -176.6 | -17.6 | 0 | 0 | 113.4 | | |
| 31 | G | 41.9 | Very low | 45.4 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | 101.4 | 132 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 32 | D | 42.7 | Very low | 45.1 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | cis | -167.9 | 169.2 | -14.1 | -129.2 | -25.7 | 0 | 0 | 0 | 108 | | |
| 33 | A | 49 | Very low | 45.2 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | 95.3 | 80.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 34 | T | 56.8 | Low | 45.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | | 65.3 | 133.4 | 117.8 | -42.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 35 | P | 48.1 | Very low | 46.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | | | trans | -113.1 | 177.3 | -160.7 | 41.5 | -27.2 | 0 | 0 | 0 | 114.6 | | |
| 36 | L | 53.9 | Low | 46.8 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | 172.9 | 159 | 141.2 | -90.8 | 169.8 | 0 | 0 | 0 | 110.7 | | |
| 37 | P | 45.4 | Very low | 47.3 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -124.3 | 173.9 | -121 | 41.4 | -28.1 | 0 | 0 | 0 | 116.5 | | |
| 38 | A | 41.7 | Very low | 47.6 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | 73.7 | 111.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 39 | A | 42.2 | Very low | 48.5 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | | 170.4 | 124.2 | 96.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 40 | S | 51.7 | Low | 48.8 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 72 | 95.9 | 142.4 | 60.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 41 | S | 51.8 | Low | 49.6 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | | 94.9 | 115.4 | 118.6 | 78.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 42 | P | 43.8 | Very low | 50.3 | Low | 126 Ų | 126 | 157 Ų | 157 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -95.6 | 122.3 | 160.1 | 33.5 | -23.6 | 0 | 0 | 0 | 110.3 | E44 | P42-E44 PolarHBondContact O-N 2.94Å; P42-E44 VanDerWaalsContact O-N 3.17Å |
| 43 | R | 46.4 | Very low | 50.9 | Low | 219 Ų | 219 | 154.5 Ų | 154.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -78.7 | 91.9 | 174 | -82 | -173.7 | 168.8 | -147 | -4.7 | 110.8 | K45 | R43-K45 PolarHBondContact O-N 3.41Š|
| 44 | E | 45.4 | Very low | 50.9 | Low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -86.1 | 90.5 | 170.2 | -158.3 | 165.5 | -168.2 | 0 | 0 | 110.4 | P42 R46 | P42-E44 PolarHBondContact O-N 2.94Å; P42-E44 VanDerWaalsContact O-N 3.17Å; E44-R46 PolarHBondContact O-N 2.95Å; E44-R46 VanDerWaalsContact O-N 3.16Å |
| 45 | K | 54.1 | Low | 50.4 | Low | 168 Ų | 168 | 155.3 Ų | 155.3 | 73% | 0.73 | 80% | 0.802 | S | S | * | * | | | trans | -76.2 | 100.3 | 172.5 | -73.9 | 179.6 | 178.9 | 179.7 | 0 | 109.2 | R43 R47 | R43-K45 PolarHBondContact O-N 3.41Å; K45-R47 VanDerWaalsContact C-N 3.26Å; K45-R47 PolarHBondContact O-N 3.46Å |
| 46 | R | 51.4 | Low | 50.8 | Low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | -58.3 | 85.5 | 165.1 | -62.6 | -172.4 | 78 | -161 | 5.1 | 110.4 | E44 | E44-R46 PolarHBondContact O-N 2.95Å; E44-R46 VanDerWaalsContact O-N 3.16Å |
| 47 | R | 56.7 | Low | 50.5 | Low | 231 Ų | 231 | 152.3 Ų | 152.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -86.3 | 117.2 | 172.6 | -161.8 | 169.2 | 162.9 | -120 | -2 | 107.2 | K45 S49 | K45-R47 VanDerWaalsContact C-N 3.26Å; K45-R47 PolarHBondContact O-N 3.46Å; R47-S49 PolarHBondContact O-N 2.97Å |
| 48 | W | 49.1 | Very low | 50.5 | Low | 219 Ų | 219 | 153.7 Ų | 153.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -59.4 | 99.1 | 173.3 | -78.7 | 39.9 | 0 | 0 | 0 | 108.5 | F50 | W48-F50 HydrophobicContact CE3-CE2 4.46Å; W48-F50 PolarHBondContact O-N 3.4Å |
| 49 | S | 62.6 | Low | 50.7 | Low | 106 Ų | 106 | 158.4 Ų | 158.4 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | trans | -81.9 | 102.4 | 172.1 | 47.2 | 0 | 0 | 0 | 0 | 108.6 | R47 R51 | R47-S49 PolarHBondContact O-N 2.97Å; S49-R51 PolarHBondContact O-N 2.93Å |
| 50 | F | 51.1 | Low | 50.4 | Low | 191 Ų | 191 | 163.5 Ų | 163.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -68.9 | 78.5 | 157.7 | -77.4 | -85.1 | 0 | 0 | 0 | 108.3 | W48 | W48-F50 HydrophobicContact CE3-CE2 4.46Å; W48-F50 PolarHBondContact O-N 3.4Å |
| 51 | R | 56.8 | Low | 50 | Low | 228 Ų | 228 | 167.5 Ų | 167.5 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -99 | 104 | 168.2 | -172.8 | 178.1 | -80 | -110.8 | 3.9 | 107.8 | S49 | S49-R51 PolarHBondContact O-N 2.93Š|
| 52 | R | 55.7 | Low | 49.2 | Very low | 217 Ų | 217 | 166.3 Ų | 166.3 | 82% | 0.819 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.6 | 167.1 | -177.8 | -177.8 | -82.5 | -123 | 1.2 | 108.1 | A54 | R52-A54 PolarHBondContact O-N 3.09Š|
| 53 | P | 55.8 | Low | 48.9 | Very low | 118 Ų | 118 | 170 Ų | 170 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124 | 175.6 | 28.3 | -28.4 | 0 | 0 | 0 | 108.7 | | |
| 54 | A | 48.3 | Very low | 48.4 | Very low | 95 Ų | 95 | 163.3 Ų | 163.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 134.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | R52 A56 | R52-A54 PolarHBondContact O-N 3.09Å; A54-A56 PolarHBondContact O-N 3.03Å |
| 55 | T | 47.4 | Very low | 48.5 | Very low | 143 Ų | 143 | 161.7 Ų | 161.7 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 121.7 | 175.5 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | A | 56 | Low | 48 | Very low | 83 Ų | 83 | 160.9 Ų | 160.9 | 69% | 0.686 | 82% | 0.823 | S | S | * | * | | | trans | -110.9 | 130.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | A54 T58 | A54-A56 PolarHBondContact O-N 3.03Å; A56-T58 PolarHBondContact O-N 3.45Å |
| 57 | P | 47.5 | Very low | 47.6 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 116.5 | 171.2 | 31.2 | -28.4 | 0 | 0 | 0 | 108.8 | | |
| 58 | T | 44.8 | Very low | 46.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 128.8 | 173.1 | -25.1 | 0 | 0 | 0 | 0 | 109.7 | A56 | A56-T58 PolarHBondContact O-N 3.45Š|
| 59 | K | 45.9 | Very low | 46.6 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.9 | 179.4 | -66.4 | 175.3 | 174.4 | -178.3 | 0 | 112.9 | | |
| 60 | Q | 37 | Very low | 46 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.9 | 165.9 | -68.8 | 172.7 | -22 | 0 | 0 | 110.5 | | |
| 61 | E | 43 | Very low | 45.5 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | | | trans | -118.3 | 129.5 | 160.1 | -83.4 | -170.9 | 164 | 0 | 0 | 108.5 | | |
| 62 | G | 34.7 | Very low | 44.7 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | -70.8 | 150.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 63 | K | 37.4 | Very low | 44.1 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -143 | 108.7 | 156.4 | -154.2 | 110.2 | -174.9 | -175.4 | 0 | 108.8 | | |
| 64 | A | 35.1 | Very low | 43.2 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 66% | 0.661 | 82% | 0.816 | S | S | * | * | | | trans | -57.2 | 155.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 65 | N | 48.3 | Very low | 43.1 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -170.2 | 101.5 | 137.9 | -84.7 | -19.4 | 0 | 0 | 0 | 111 | | |
| 66 | N | 43.9 | Very low | 42.7 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | 33.3 | 120.6 | 133.3 | -59.8 | -19.5 | 0 | 0 | 0 | 121.2 | | |
| 67 | A | 42 | Very low | 42.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | | 172.2 | 139.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 68 | A | 42.9 | Very low | 42.4 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | cis | -165.1 | 153.8 | -17.5 | 0 | 0 | 0 | 0 | 0 | 104.2 | | |
| 69 | P | 42.5 | Very low | 42.6 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -94.5 | 153.9 | -170.1 | 36.1 | -31.1 | 0 | 0 | 0 | 112.3 | | |
| 70 | S | 49.5 | Very low | 42.8 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -158.3 | 127.2 | 151.6 | -78.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 71 | P | 40.8 | Very low | 43.4 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | trans | -94.8 | 162.7 | -176.5 | 38.5 | -32.7 | 0 | 0 | 0 | 111 | | |
| 72 | L | 40.4 | Very low | 44 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | 176.6 | 146.3 | 147.6 | -95.7 | 154.4 | 0 | 0 | 0 | 110.8 | | |
| 73 | S | 43.4 | Very low | 45.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 90 | 91.4 | 169.2 | -48.7 | 0 | 0 | 0 | 0 | 115 | | |
| 74 | S | 36.3 | Very low | 46.2 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 82.5 | 133.4 | 68.2 | -165.5 | 0 | 0 | 0 | 0 | 113 | | |
| 75 | L | 47.5 | Very low | 47.5 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 102.9 | 82.3 | 166.2 | -61 | 137.7 | 0 | 0 | 0 | 117.3 | | |
| 76 | E | 38.4 | Very low | 48.4 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | 20.8 | 119.1 | 131.5 | -64.5 | -76.2 | 119.6 | 0 | 0 | 118.8 | | |
| 77 | P | 52.7 | Low | 49.5 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -101.1 | 121.4 | 157.5 | 32.9 | -21.7 | 0 | 0 | 0 | 110.7 | | |
| 78 | S | 44.7 | Very low | 50.9 | Low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | trans | -59.7 | 136.8 | 170.4 | 62 | 0 | 0 | 0 | 0 | 111.4 | R80 | S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 2.92Å |
| 79 | A | 47.9 | Very low | 52.5 | Low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 55.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 80 | R | 49.8 | Very low | 54.2 | Low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 8.7 | 177.1 | -66.9 | -169.4 | 178.5 | 158.4 | 0.9 | 116.5 | S78 | S78-R80 VanDerWaalsContact C-N 3.28Å; S78-R80 PolarHBondContact O-N 2.92Å |
| 81 | E | 51.5 | Low | 55.6 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 57% | 0.565 | 69% | 0.689 | S | S | * | * | | | trans | -109.8 | 27.3 | -178.1 | -72.5 | -171.1 | 135.9 | 0 | 0 | 114.6 | S85 | E81-S85 WeakPolarHBondContact O-CB 3.32Å; E81-S85 PolarHBondContact O-N 2.86Å; E81-S85 PolarHBondContact O-OG 3.4Å |
| 82 | L | 54.4 | Low | 57.4 | Low | 135 Ų | 135 | 118.7 Ų | 118.7 | 71% | 0.707 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68 | -38.5 | 179.6 | -75.1 | 170.5 | 0 | 0 | 0 | 112.3 | S85 | L82-S85 PolarHBondContact O-OG 3.49Å |
| 83 | D | 57.8 | Low | 59.2 | Low | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.7 | -27.4 | -177.5 | -64.2 | -11.7 | 0 | 0 | 0 | 113.9 | H87 | D83-H87 PolarHBondContact O-CD2 3.04Å |
| 84 | Q | 60.1 | Low | 60.8 | Low | 141 Ų | 141 | 110.4 Ų | 110.4 | 66% | 0.659 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.1 | -25.9 | 176.8 | -67.7 | -177.9 | 5.5 | 0 | 0 | 112.3 | A88 | Q84-A88 PolarHBondContact O-N 3.32Å |
| 85 | S | 62.4 | Low | 62.8 | Low | 53 Ų | 53 | 108.1 Ų | 108.1 | 37% | 0.371 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.7 | -32.9 | 178.1 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | E81 L82 A88 V89 | E81-S85 WeakPolarHBondContact O-CB 3.32Å; E81-S85 PolarHBondContact O-N 2.86Å; E81-S85 PolarHBondContact O-OG 3.4Å; L82-S85 PolarHBondContact O-OG 3.49Å; S85-A88 PolarHBondContact O-N 2.74Å; S85-V89 VanDerWaalsContact O-CG2 3.32Å; S85-V89 WeakPolarHBondContact O-CG2 3.35Å; S85-V89 PolarHBondContact O-N 3.24Å |
| 86 | E | 68 | Low | 64.4 | Low | 140 Ų | 140 | 104.9 Ų | 104.9 | 65% | 0.654 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 179.2 | -65.8 | -170.8 | 163.3 | 0 | 0 | 112 | V89 A90 | E86-V89 PolarHBondContact O-N 2.95Å; E86-A90 WeakPolarHBondContact O-CB 3.44Å; E86-A90 PolarHBondContact O-N 3.49Å |
| 87 | H | 66.9 | Low | 65.9 | Low | 147 Ų | 147 | 101 Ų | 101 | 68% | 0.681 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 176.3 | -70.5 | -60.6 | 0 | 0 | 0 | 112.9 | D83 A91 | D83-H87 PolarHBondContact O-CD2 3.04Å; H87-A91 WeakPolarHBondContact O-CB 3.41Å; H87-A91 PolarHBondContact O-N 3.26Å |
| 88 | A | 72.2 | Confident | 67.1 | Low | 63 Ų | 63 | 100 Ų | 100 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q84 S85 A91 A92 | Q84-A88 PolarHBondContact O-N 3.32Å; S85-A88 PolarHBondContact O-N 2.74Å; A88-A91 PolarHBondContact O-N 3.26Å; A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 3.41Å |
| 89 | V | 75.3 | Confident | 68.7 | Low | 103 Ų | 103 | 97.8 Ų | 97.8 | 62% | 0.624 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -39.6 | 176 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S85 E86 A92 A93 | S85-V89 VanDerWaalsContact O-CG2 3.32Å; S85-V89 WeakPolarHBondContact O-CG2 3.35Å; S85-V89 PolarHBondContact O-N 3.24Å; E86-V89 PolarHBondContact O-N 2.95Å; V89-A92 PolarHBondContact O-N 2.95Å; V89-A93 WeakPolarHBondContact O-CB 3.36Å; V89-A93 PolarHBondContact O-N 3.32Å |
| 90 | A | 78.2 | Confident | 69.9 | Low | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E86 A93 A94 | E86-A90 WeakPolarHBondContact O-CB 3.44Å; E86-A90 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 2.92Å; A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.11Å |
| 91 | A | 78.9 | Confident | 71 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H87 A88 A94 A95 | H87-A91 WeakPolarHBondContact O-CB 3.41Å; H87-A91 PolarHBondContact O-N 3.26Å; A88-A91 PolarHBondContact O-N 3.26Å; A91-A94 PolarHBondContact O-N 2.84Å; A91-A95 WeakPolarHBondContact O-CB 3.34Å; A91-A95 PolarHBondContact O-N 3.02Å |
| 92 | A | 78.4 | Confident | 71.9 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A88 V89 A95 T96 | A88-A92 WeakPolarHBondContact O-CB 3.45Å; A88-A92 PolarHBondContact O-N 3.41Å; V89-A92 PolarHBondContact O-N 2.95Å; A92-A95 PolarHBondContact O-N 3.19Å; A92-T96 PolarHBondContact O-N 2.99Å; A92-T96 PolarHBondContact O-OG1 3.06Å; A92-T96 VanDerWaalsContact O-OG1 3.11Å |
| 93 | A | 78.5 | Confident | 72.4 | Confident | 53 Ų | 53 | 89.7 Ų | 89.7 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V89 A90 T96 E97 | V89-A93 WeakPolarHBondContact O-CB 3.36Å; V89-A93 PolarHBondContact O-N 3.32Å; A90-A93 PolarHBondContact O-N 2.92Å; A93-T96 VanDerWaalsContact CA-OG1 3.32Å; A93-T96 WeakPolarHBondContact CA-OG1 3.33Å; A93-T96 PolarHBondContact O-N 2.86Å; A93-T96 PolarHBondContact O-OG1 2.83Å; A93-E97 PolarHBondContact O-N 3.23Å |
| 94 | A | 77.2 | Confident | 72.7 | Confident | 57 Ų | 57 | 85.9 Ų | 85.9 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A90 A91 E97 V98 | A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 3.11Å; A91-A94 PolarHBondContact O-N 2.84Å; A94-E97 PolarHBondContact O-N 3.39Å; A94-V98 WeakPolarHBondContact O-CG2 3.4Å; A94-V98 PolarHBondContact O-N 2.92Å |
| 95 | A | 78.9 | Confident | 72.6 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A91 A92 E97 V98 A99 | A91-A95 WeakPolarHBondContact O-CB 3.34Å; A91-A95 PolarHBondContact O-N 3.02Å; A92-A95 PolarHBondContact O-N 3.19Å; A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.45Å; A95-V98 PolarHBondContact O-N 3.14Å; A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.16Å |
| 96 | T | 79.3 | Confident | 72.4 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -33.8 | 174.4 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | A92 A93 R100 | A92-T96 PolarHBondContact O-N 2.99Å; A92-T96 PolarHBondContact O-OG1 3.06Å; A92-T96 VanDerWaalsContact O-OG1 3.11Å; A93-T96 VanDerWaalsContact CA-OG1 3.32Å; A93-T96 WeakPolarHBondContact CA-OG1 3.33Å; A93-T96 PolarHBondContact O-N 2.86Å; A93-T96 PolarHBondContact O-OG1 2.83Å; T96-R100 WeakPolarHBondContact O-CB 3.38Å; T96-R100 PolarHBondContact O-N 3.39Å |
| 97 | E | 71.9 | Confident | 71.8 | Confident | 98 Ų | 98 | 84 Ų | 84 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.6 | -40.6 | 177.3 | -166.4 | 60.9 | -166.7 | 0 | 0 | 111.5 | A93 A94 A95 A99 R100 L101 | A93-E97 PolarHBondContact O-N 3.23Å; A94-E97 PolarHBondContact O-N 3.39Å; A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.45Å; E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 2.99Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-L101 HydrophobicContact CG-CD1 4.44Å; E97-L101 WeakPolarHBondContact O-CG 3.21Å; E97-L101 PolarHBondContact O-N 2.76Å |
| 98 | V | 76.5 | Confident | 71.2 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 171.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | A94 A95 R100 L101 T102 | A94-V98 WeakPolarHBondContact O-CG2 3.4Å; A94-V98 PolarHBondContact O-N 2.92Å; A95-V98 PolarHBondContact O-N 3.14Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 2.75Å; V98-L101 PolarHBondContact O-N 3.49Å; V98-T102 HydrophobicContact CG1-CG2 4.38Å; V98-T102 WeakPolarHBondContact O-CG2 3.35Å; V98-T102 PolarHBondContact O-N 2.7Å; V98-T102 PolarHBondContact O-OG1 3.27Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å |
| 99 | A | 77.9 | Confident | 70.3 | Confident | 54 Ų | 54 | 86.2 Ų | 86.2 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A95 E97 T102 A103 | A95-A99 WeakPolarHBondContact O-CB 3.38Å; A95-A99 PolarHBondContact O-N 3.16Å; E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 2.99Å; A99-T102 WeakPolarHBondContact CA-OG1 3.24Å; A99-T102 PolarHBondContact O-OG1 2.92Å; A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.12Å |
| 100 | R | 74.7 | Confident | 69.2 | Low | 184 Ų | 184 | 84.9 Ų | 84.9 | 69% | 0.694 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.7 | -41.2 | 173.5 | -94.1 | -171.4 | 167.3 | 156.2 | -0.1 | 112.6 | T96 E97 V98 A103 A104 | T96-R100 WeakPolarHBondContact O-CB 3.38Å; T96-R100 PolarHBondContact O-N 3.39Å; E97-R100 PolarHBondContact O-N 3.45Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 2.75Å; R100-A103 PolarHBondContact O-N 2.9Å; R100-A104 VanDerWaalsContact O-CB 3.24Å; R100-A104 WeakPolarHBondContact O-CB 3.37Å; R100-A104 PolarHBondContact O-N 2.82Å |
| 101 | L | 72.8 | Confident | 68.1 | Low | 106 Ų | 106 | 86.9 Ų | 86.9 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 177.3 | -70.6 | 172.2 | 0 | 0 | 0 | 111.3 | E97 V98 A104 D105 | E97-L101 HydrophobicContact CG-CD1 4.44Å; E97-L101 WeakPolarHBondContact O-CG 3.21Å; E97-L101 PolarHBondContact O-N 2.76Å; V98-L101 PolarHBondContact O-N 3.49Å; L101-A104 PolarHBondContact O-N 3.48Å; L101-D105 WeakPolarHBondContact O-CB 3.21Å; L101-D105 PolarHBondContact O-N 3.46Å |
| 102 | T | 70.1 | Confident | 66.9 | Low | 77 Ų | 77 | 87.6 Ų | 87.6 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 174 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | V98 A99 A104 D105 E106 | V98-T102 HydrophobicContact CG1-CG2 4.38Å; V98-T102 WeakPolarHBondContact O-CG2 3.35Å; V98-T102 PolarHBondContact O-N 2.7Å; V98-T102 PolarHBondContact O-OG1 3.27Å; V98-T102 VanDerWaalsContact O-OG1 3.09Å; A99-T102 WeakPolarHBondContact CA-OG1 3.24Å; A99-T102 PolarHBondContact O-OG1 2.92Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-D105 PolarHBondContact O-N 2.91Å; T102-E106 WeakPolarHBondContact O-CB 3.5Å; T102-E106 WeakPolarHBondContact O-CG 3.21Å; T102-E106 PolarHBondContact O-N 3.44Å |
| 103 | A | 65.1 | Low | 65.7 | Low | 60 Ų | 60 | 88 Ų | 88 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -32.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A99 R100 S107 | A99-A103 WeakPolarHBondContact O-CB 3.32Å; A99-A103 PolarHBondContact O-N 3.12Å; R100-A103 PolarHBondContact O-N 2.9Å; A103-S107 VanDerWaalsContact O-CB 3.28Å; A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.42Å; A103-S107 VanDerWaalsContact O-N 3.16Å; A103-S107 PolarHBondContact O-OG 3.3Å |
| 104 | A | 62.6 | Low | 65 | Low | 50 Ų | 50 | 87.9 Ų | 87.9 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R100 L101 T102 S107 H108 | R100-A104 VanDerWaalsContact O-CB 3.24Å; R100-A104 WeakPolarHBondContact O-CB 3.37Å; R100-A104 PolarHBondContact O-N 2.82Å; L101-A104 PolarHBondContact O-N 3.48Å; T102-A104 VanDerWaalsContact C-N 3.33Å; A104-S107 WeakPolarHBondContact CA-OG 3.43Å; A104-S107 PolarHBondContact O-OG 2.86Å; A104-H108 WeakPolarHBondContact O-CB 3.28Å; A104-H108 PolarHBondContact O-N 3.37Å |
| 105 | D | 58.6 | Low | 65.1 | Low | 95 Ų | 95 | 88.5 Ų | 88.5 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.6 | -43.4 | 179.6 | -157.7 | 33 | 0 | 0 | 0 | 111.5 | L101 T102 S107 H108 L109 | L101-D105 WeakPolarHBondContact O-CB 3.21Å; L101-D105 PolarHBondContact O-N 3.46Å; T102-D105 PolarHBondContact O-N 2.91Å; D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.04Å; D105-H108 PolarHBondContact O-N 3Å; D105-L109 PolarHBondContact O-N 3.3Å |
| 106 | E | 58.8 | Low | 65.6 | Low | 139 Ų | 139 | 90.9 Ų | 90.9 | 65% | 0.65 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -32.3 | 175 | -70 | -68.3 | 144.2 | 0 | 0 | 112.7 | T102 S110 | T102-E106 WeakPolarHBondContact O-CB 3.5Å; T102-E106 WeakPolarHBondContact O-CG 3.21Å; T102-E106 PolarHBondContact O-N 3.44Å; E106-S110 WeakPolarHBondContact O-CB 3.04Å; E106-S110 PolarHBondContact O-N 2.82Å; E106-S110 PolarHBondContact O-OG 2.85Å |
| 107 | S | 55.8 | Low | 66.1 | Low | 60 Ų | 60 | 91.6 Ų | 91.6 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -82 | -22.9 | 175 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | A103 A104 D105 V111 | A103-S107 VanDerWaalsContact O-CB 3.28Å; A103-S107 WeakPolarHBondContact O-CB 3.49Å; A103-S107 PolarHBondContact O-N 3.42Å; A103-S107 VanDerWaalsContact O-N 3.16Å; A103-S107 PolarHBondContact O-OG 3.3Å; A104-S107 WeakPolarHBondContact CA-OG 3.43Å; A104-S107 PolarHBondContact O-OG 2.86Å; D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 3.04Å; S107-V111 WeakPolarHBondContact O-CB 3.16Å; S107-V111 WeakPolarHBondContact O-CG2 3.14Å; S107-V111 PolarHBondContact O-N 3.07Å |
| 108 | H | 53 | Low | 66.9 | Low | 139 Ų | 139 | 93 Ų | 93 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84.7 | -30.5 | 178.4 | -164.1 | -106.5 | 0 | 0 | 0 | 112.6 | A104 D105 | A104-H108 WeakPolarHBondContact O-CB 3.28Å; A104-H108 PolarHBondContact O-N 3.37Å; D105-H108 PolarHBondContact O-N 3Å |
| 109 | L | 53.1 | Low | 67.7 | Low | 119 Ų | 119 | 91.2 Ų | 91.2 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -78.5 | -32.4 | 176.6 | -76.7 | 158.1 | 0 | 0 | 0 | 113.3 | D105 | D105-L109 PolarHBondContact O-N 3.3Å |
| 110 | S | 53.4 | Low | 68.5 | Low | 74 Ų | 74 | 90.5 Ų | 90.5 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -87.4 | -18.8 | 179.9 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | E106 C114 | E106-S110 WeakPolarHBondContact O-CB 3.04Å; E106-S110 PolarHBondContact O-N 2.82Å; E106-S110 PolarHBondContact O-OG 2.85Å; S110-C114 PolarHBondContact O-SG 3.24Å; S110-C114 VanDerWaalsContact O-SG 3.39Å |
| 111 | V | 54.2 | Low | 69.5 | Low | 99 Ų | 99 | 83.7 Ų | 83.7 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -97.6 | -20.2 | -175.4 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | S107 P115 | S107-V111 WeakPolarHBondContact O-CB 3.16Å; S107-V111 WeakPolarHBondContact O-CG2 3.14Å; S107-V111 PolarHBondContact O-N 3.07Å; V111-P115 WeakPolarHBondContact O-CD 3.46Å |
| 112 | S | 54.5 | Low | 70.6 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -19 | -177.8 | -172.7 | 0 | 0 | 0 | 0 | 114.8 | P115 | S112-P115 VanDerWaalsContact O-CD 3.24Å; S112-P115 WeakPolarHBondContact O-CD 3.48Å; S112-P115 WeakPolarHBondContact O-CG 3.29Å |
| 113 | C | 53.1 | Low | 71.9 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -43.2 | 176.2 | -150 | 0 | 0 | 0 | 0 | 111.6 | P115 V116 E117 | C113-P115 VanDerWaalsContact C-CD 3.41Å; C113-V116 PolarHBondContact O-N 3.45Å; C113-E117 PolarHBondContact SG-OE1 2.9Å |
| 114 | C | 64.3 | Low | 73.4 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -51.6 | -41.3 | -176.3 | -62.5 | 0 | 0 | 0 | 0 | 116.5 | S110 V116 E117 E118 | S110-C114 PolarHBondContact O-SG 3.24Å; S110-C114 VanDerWaalsContact O-SG 3.39Å; C114-V116 VanDerWaalsContact C-N 3.31Å; C114-V116 PolarHBondContact O-N 3.26Å; C114-E117 PolarHBondContact N-OE2 3.13Å; C114-E117 PolarHBondContact O-N 3.22Å; C114-E118 WeakPolarHBondContact O-CB 3.32Å; C114-E118 WeakPolarHBondContact O-CG 3.17Å; C114-E118 PolarHBondContact O-N 3.25Å |
| 115 | P | 79.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 92.4 Ų | 92.4 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -31.2 | -174.8 | 26.4 | -36.6 | 0 | 0 | 0 | 113.3 | V111 S112 C113 A119 | V111-P115 WeakPolarHBondContact O-CD 3.46Å; S112-P115 VanDerWaalsContact O-CD 3.24Å; S112-P115 WeakPolarHBondContact O-CD 3.48Å; S112-P115 WeakPolarHBondContact O-CG 3.29Å; C113-P115 VanDerWaalsContact C-CD 3.41Å; P115-A119 WeakPolarHBondContact O-CB 3.18Å; P115-A119 PolarHBondContact O-N 3.43Å |
| 116 | V | 88.1 | Confident | 76.9 | Confident | 109 Ų | 109 | 90.6 Ų | 90.6 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -76 | -44.8 | 179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | C113 C114 A119 A120 | C113-V116 PolarHBondContact O-N 3.45Å; C114-V116 VanDerWaalsContact C-N 3.31Å; C114-V116 PolarHBondContact O-N 3.26Å; V116-A119 PolarHBondContact O-N 2.76Å; V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.39Å |
| 117 | E | 89.6 | Confident | 78.8 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 175.5 | -71.6 | 119.7 | -166.7 | 0 | 0 | 112.1 | C113 C114 A120 A121 | C113-E117 PolarHBondContact SG-OE1 2.9Å; C114-E117 PolarHBondContact N-OE2 3.13Å; C114-E117 PolarHBondContact O-N 3.22Å; E117-A120 PolarHBondContact O-N 3.27Å; E117-A121 VanDerWaalsContact O-CB 3.26Å; E117-A121 WeakPolarHBondContact O-CB 3.37Å; E117-A121 PolarHBondContact O-N 2.83Å |
| 118 | E | 90.1 | Very high | 80.9 | Confident | 126 Ų | 126 | 91.2 Ų | 91.2 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 174.5 | -74.5 | 179.6 | -179.3 | 0 | 0 | 111 | C114 A120 A121 V122 | C114-E118 WeakPolarHBondContact O-CB 3.32Å; C114-E118 WeakPolarHBondContact O-CG 3.17Å; C114-E118 PolarHBondContact O-N 3.25Å; E118-A120 PolarHBondContact O-N 2.86Å; E118-A121 PolarHBondContact O-N 2.86Å; E118-V122 WeakPolarHBondContact O-CB 3.24Å; E118-V122 WeakPolarHBondContact O-CG2 3.4Å; E118-V122 PolarHBondContact O-N 3.29Å |
| 119 | A | 92 | Very high | 83 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | P115 V116 R123 | P115-A119 WeakPolarHBondContact O-CB 3.18Å; P115-A119 PolarHBondContact O-N 3.43Å; V116-A119 PolarHBondContact O-N 2.76Å; A119-R123 VanDerWaalsContact O-CG 3.28Å; A119-R123 WeakPolarHBondContact O-CG 3.21Å; A119-R123 PolarHBondContact O-N 2.92Å |
| 120 | A | 95.2 | Very high | 85.2 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V116 E117 E118 V122 R123 I124 | V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.39Å; E117-A120 PolarHBondContact O-N 3.27Å; E118-A120 PolarHBondContact O-N 2.86Å; A120-V122 VanDerWaalsContact C-N 3.35Å; A120-V122 PolarHBondContact O-N 3.48Å; A120-R123 WeakPolarHBondContact O-CB 3.42Å; A120-R123 PolarHBondContact O-N 3.37Å; A120-R123 VanDerWaalsContact O-N 3.13Å; A120-I124 WeakPolarHBondContact O-CG1 3.4Å; A120-I124 PolarHBondContact O-N 2.97Å |
| 121 | A | 95.3 | Very high | 87.3 | Confident | 41 Ų | 41 | 89.6 Ų | 89.6 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E117 E118 R123 I124 Q125 | E117-A121 VanDerWaalsContact O-CB 3.26Å; E117-A121 WeakPolarHBondContact O-CB 3.37Å; E117-A121 PolarHBondContact O-N 2.83Å; E118-A121 PolarHBondContact O-N 2.86Å; A121-R123 VanDerWaalsContact C-N 3.33Å; A121-R123 PolarHBondContact O-N 3.1Å; A121-I124 PolarHBondContact O-N 3.28Å; A121-Q125 WeakPolarHBondContact O-CB 3.34Å; A121-Q125 VanDerWaalsContact O-CG 3.26Å; A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.5Å |
| 122 | V | 95.7 | Very high | 89.4 | Confident | 79 Ų | 79 | 88.8 Ų | 88.8 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | E118 A120 A126 | E118-V122 WeakPolarHBondContact O-CB 3.24Å; E118-V122 WeakPolarHBondContact O-CG2 3.4Å; E118-V122 PolarHBondContact O-N 3.29Å; A120-V122 VanDerWaalsContact C-N 3.35Å; A120-V122 PolarHBondContact O-N 3.48Å; V122-A126 WeakPolarHBondContact O-CB 3.12Å; V122-A126 PolarHBondContact O-N 3.43Å |
| 123 | R | 97.4 | Very high | 91.5 | Very high | 186 Ų | 186 | 88 Ų | 88 | 70% | 0.702 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 174.9 | -73.2 | 171.9 | 65.1 | -159.5 | -1.2 | 111.7 | A119 A120 A121 A126 T127 | A119-R123 VanDerWaalsContact O-CG 3.28Å; A119-R123 WeakPolarHBondContact O-CG 3.21Å; A119-R123 PolarHBondContact O-N 2.92Å; A120-R123 WeakPolarHBondContact O-CB 3.42Å; A120-R123 PolarHBondContact O-N 3.37Å; A120-R123 VanDerWaalsContact O-N 3.13Å; A121-R123 VanDerWaalsContact C-N 3.33Å; A121-R123 PolarHBondContact O-N 3.1Å; R123-A126 PolarHBondContact O-N 2.81Å; R123-T127 WeakPolarHBondContact O-CB 3.26Å; R123-T127 VanDerWaalsContact O-CG2 3.24Å; R123-T127 WeakPolarHBondContact O-CG2 3.4Å; R123-T127 PolarHBondContact O-N 2.99Å; R123-T127 PolarHBondContact O-OG1 2.95Å |
| 124 | I | 97.4 | Very high | 93.7 | Very high | 114 Ų | 114 | 91.9 Ų | 91.9 | 59% | 0.585 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -48.1 | 177.3 | -66.6 | 167.4 | 0 | 0 | 0 | 110.1 | A120 A121 A126 T127 F128 | A120-I124 WeakPolarHBondContact O-CG1 3.4Å; A120-I124 PolarHBondContact O-N 2.97Å; A121-I124 PolarHBondContact O-N 3.28Å; I124-A126 PolarHBondContact O-N 2.84Å; I124-T127 WeakPolarHBondContact CA-OG1 3.47Å; I124-T127 PolarHBondContact O-N 2.93Å; I124-T127 PolarHBondContact O-OG1 3.49Å; I124-F128 WeakPolarHBondContact O-CB 3.28Å; I124-F128 PolarHBondContact O-N 3.4Å |
| 125 | Q | 98 | Very high | 95.3 | Very high | 96 Ų | 96 | 95.6 Ų | 95.6 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.7 | -69.9 | -178.8 | 7 | 0 | 0 | 112.5 | A121 F128 R129 | A121-Q125 WeakPolarHBondContact O-CB 3.34Å; A121-Q125 VanDerWaalsContact O-CG 3.26Å; A121-Q125 WeakPolarHBondContact O-CG 3.26Å; A121-Q125 PolarHBondContact O-N 3.5Å; Q125-F128 PolarHBondContact O-N 3.03Å; Q125-R129 WeakPolarHBondContact O-CB 3.48Å; Q125-R129 VanDerWaalsContact O-CG 3.28Å; Q125-R129 WeakPolarHBondContact O-CG 3.24Å; Q125-R129 PolarHBondContact O-N 3.43Å |
| 126 | A | 97.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 94.8 Ų | 94.8 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V122 R123 I124 G130 | V122-A126 WeakPolarHBondContact O-CB 3.12Å; V122-A126 PolarHBondContact O-N 3.43Å; R123-A126 PolarHBondContact O-N 2.81Å; I124-A126 PolarHBondContact O-N 2.84Å; A126-G130 PolarHBondContact O-N 2.95Å |
| 127 | T | 98.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 93.4 Ų | 93.4 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | R123 I124 G130 Y131 | R123-T127 WeakPolarHBondContact O-CB 3.26Å; R123-T127 VanDerWaalsContact O-CG2 3.24Å; R123-T127 WeakPolarHBondContact O-CG2 3.4Å; R123-T127 PolarHBondContact O-N 2.99Å; R123-T127 PolarHBondContact O-OG1 2.95Å; I124-T127 WeakPolarHBondContact CA-OG1 3.47Å; I124-T127 PolarHBondContact O-N 2.93Å; I124-T127 PolarHBondContact O-OG1 3.49Å; T127-G130 PolarHBondContact O-N 2.94Å; T127-Y131 PolarHBondContact O-N 3.49Å |
| 128 | F | 98.5 | Very high | 97 | Very high | 122 Ų | 122 | 92.1 Ų | 92.1 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 176 | -175.5 | -105.8 | 0 | 0 | 0 | 112.6 | I124 Q125 G130 Y131 L132 | I124-F128 WeakPolarHBondContact O-CB 3.28Å; I124-F128 PolarHBondContact O-N 3.4Å; Q125-F128 PolarHBondContact O-N 3.03Å; F128-G130 VanDerWaalsContact C-N 3.27Å; F128-G130 PolarHBondContact O-N 3.44Å; F128-Y131 WeakPolarHBondContact O-CB 3.41Å; F128-Y131 PolarHBondContact O-N 3.48Å; F128-Y131 VanDerWaalsContact O-N 3.11Å; F128-L132 HydrophobicContact CD1-CD1 4.09Å; F128-L132 HydrophobicContact CE1-CD1 3.57Å; F128-L132 HydrophobicContact CE1-CG 4.13Å; F128-L132 HydrophobicContact CZ-CD1 4.02Å; F128-L132 HydrophobicContact CZ-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CG 4.22Å; F128-L132 PolarHBondContact O-N 3.11Å |
| 129 | R | 98.5 | Very high | 97.3 | Very high | 159 Ų | 159 | 89.3 Ų | 89.3 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 173.4 | -73.3 | 176.2 | 179.2 | 118.6 | 2.1 | 111.3 | Q125 L132 A133 | Q125-R129 WeakPolarHBondContact O-CB 3.48Å; Q125-R129 VanDerWaalsContact O-CG 3.28Å; Q125-R129 WeakPolarHBondContact O-CG 3.24Å; Q125-R129 PolarHBondContact O-N 3.43Å; R129-L132 PolarHBondContact O-N 2.86Å; R129-A133 PolarHBondContact O-N 3.36Å; R129-A133 VanDerWaalsContact O-N 3.08Å |
| 130 | G | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 92.2 Ų | 92.2 | 23% | 0.227 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A126 T127 F128 A133 R134 | A126-G130 PolarHBondContact O-N 2.95Å; T127-G130 PolarHBondContact O-N 2.94Å; F128-G130 VanDerWaalsContact C-N 3.27Å; F128-G130 PolarHBondContact O-N 3.44Å; G130-A133 PolarHBondContact O-N 3.44Å; G130-R134 WeakPolarHBondContact O-CG 3.28Å; G130-R134 PolarHBondContact O-N 3.28Å; G130-R134 PolarHBondContact O-NH1 3.17Å |
| 131 | Y | 98.6 | Very high | 97.6 | Very high | 118 Ų | 118 | 98.1 Ų | 98.1 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 175.7 | 170.4 | -96.9 | 0 | 0 | 0 | 111.8 | T127 F128 A133 R134 K135 | T127-Y131 PolarHBondContact O-N 3.49Å; F128-Y131 WeakPolarHBondContact O-CB 3.41Å; F128-Y131 PolarHBondContact O-N 3.48Å; F128-Y131 VanDerWaalsContact O-N 3.11Å; Y131-A133 VanDerWaalsContact C-N 3.33Å; Y131-A133 PolarHBondContact O-N 3Å; Y131-R134 PolarHBondContact O-N 2.96Å; Y131-K135 HydrophobicContact CE1-CD 4.35Å; Y131-K135 PolarHBondContact O-N 3.05Å |
| 132 | L | 98.5 | Very high | 97.7 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.3 | -69.7 | 179.6 | 0 | 0 | 0 | 112.2 | F128 R129 R134 K135 A136 | F128-L132 HydrophobicContact CD1-CD1 4.09Å; F128-L132 HydrophobicContact CE1-CD1 3.57Å; F128-L132 HydrophobicContact CE1-CG 4.13Å; F128-L132 HydrophobicContact CZ-CD1 4.02Å; F128-L132 HydrophobicContact CZ-CD2 4.32Å; F128-L132 HydrophobicContact CZ-CG 4.22Å; F128-L132 PolarHBondContact O-N 3.11Å; R129-L132 PolarHBondContact O-N 2.86Å; L132-R134 PolarHBondContact O-N 3.08Å; L132-K135 PolarHBondContact O-N 3.01Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.91Å |
| 133 | A | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 98.2 Ų | 98.2 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R129 G130 Y131 A136 L137 | R129-A133 PolarHBondContact O-N 3.36Å; R129-A133 VanDerWaalsContact O-N 3.08Å; G130-A133 PolarHBondContact O-N 3.44Å; Y131-A133 VanDerWaalsContact C-N 3.33Å; Y131-A133 PolarHBondContact O-N 3Å; A133-A136 PolarHBondContact O-N 3.27Å; A133-L137 VanDerWaalsContact O-CB 3.27Å; A133-L137 WeakPolarHBondContact O-CB 3.15Å; A133-L137 PolarHBondContact O-N 3.35Å |
| 134 | R | 98.2 | Very high | 97.8 | Very high | 148 Ų | 148 | 93.8 Ų | 93.8 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 174.8 | -72.2 | -174.6 | -64 | -88.5 | 3.9 | 111.8 | G130 Y131 L132 A136 L137 C138 | G130-R134 WeakPolarHBondContact O-CG 3.28Å; G130-R134 PolarHBondContact O-N 3.28Å; G130-R134 PolarHBondContact O-NH1 3.17Å; Y131-R134 PolarHBondContact O-N 2.96Å; L132-R134 PolarHBondContact O-N 3.08Å; R134-A136 PolarHBondContact O-N 3.4Å; R134-L137 PolarHBondContact O-N 3.43Å; R134-C138 PolarHBondContact O-N 3.47Å; R134-C138 PolarHBondContact O-SG 2.95Å |
| 135 | K | 97.8 | Very high | 97.8 | Very high | 129 Ų | 129 | 95.6 Ų | 95.6 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 177 | -171.1 | 173.9 | -177.9 | 175.3 | 0 | 111.6 | Y131 L132 C138 A139 | Y131-K135 HydrophobicContact CE1-CD 4.35Å; Y131-K135 PolarHBondContact O-N 3.05Å; L132-K135 PolarHBondContact O-N 3.01Å; K135-C138 PolarHBondContact O-N 3.05Å; K135-A139 PolarHBondContact O-N 3.34Å; K135-A139 VanDerWaalsContact O-N 3.12Å |
| 136 | A | 97.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L132 A133 R134 C138 A139 L140 | L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 2.91Å; A133-A136 PolarHBondContact O-N 3.27Å; R134-A136 PolarHBondContact O-N 3.4Å; A136-C138 PolarHBondContact O-N 3.42Å; A136-A139 WeakPolarHBondContact O-CB 3.49Å; A136-A139 PolarHBondContact O-N 3.12Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 3.49Å |
| 137 | L | 97.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 97 Ų | 97 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 178 | -177.2 | 151.1 | 0 | 0 | 0 | 112.2 | A133 R134 L140 R141 | A133-L137 VanDerWaalsContact O-CB 3.27Å; A133-L137 WeakPolarHBondContact O-CB 3.15Å; A133-L137 PolarHBondContact O-N 3.35Å; R134-L137 PolarHBondContact O-N 3.43Å; L137-L140 PolarHBondContact O-N 3.32Å; L137-R141 HydrophobicContact CD2-CG 4.25Å; L137-R141 VanDerWaalsContact CD2-NE 3.33Å; L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.22Å |
| 138 | C | 97 | Very high | 97.7 | Very high | 79 Ų | 79 | 95.7 Ų | 95.7 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.7 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | R134 K135 A136 R141 G142 | R134-C138 PolarHBondContact O-N 3.47Å; R134-C138 PolarHBondContact O-SG 2.95Å; K135-C138 PolarHBondContact O-N 3.05Å; A136-C138 PolarHBondContact O-N 3.42Å; C138-R141 PolarHBondContact O-N 3.45Å; C138-G142 PolarHBondContact O-N 2.93Å |
| 139 | A | 97 | Very high | 97.7 | Very high | 68 Ų | 68 | 95 Ų | 95 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K135 A136 R141 G142 L143 | K135-A139 PolarHBondContact O-N 3.34Å; K135-A139 VanDerWaalsContact O-N 3.12Å; A136-A139 WeakPolarHBondContact O-CB 3.49Å; A136-A139 PolarHBondContact O-N 3.12Å; A139-R141 PolarHBondContact O-N 3.47Å; A139-G142 PolarHBondContact O-N 2.91Å; A139-L143 PolarHBondContact O-N 2.93Å |
| 140 | L | 97 | Very high | 97.7 | Very high | 113 Ų | 113 | 91.9 Ų | 91.9 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.6 | -40.5 | 176.8 | -70 | 172.8 | 0 | 0 | 0 | 112.5 | A136 L137 G142 L143 V144 | A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 3.49Å; L137-L140 PolarHBondContact O-N 3.32Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.97Å; L140-L143 WeakPolarHBondContact O-CB 3.45Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-V144 PolarHBondContact O-N 2.87Å |
| 141 | R | 97.2 | Very high | 97.7 | Very high | 164 Ų | 164 | 98.5 Ų | 98.5 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 172.9 | -74 | 178.4 | 173.3 | 172.1 | -1.1 | 111.8 | L137 C138 A139 L143 V144 K145 | L137-R141 HydrophobicContact CD2-CG 4.25Å; L137-R141 VanDerWaalsContact CD2-NE 3.33Å; L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.22Å; C138-R141 PolarHBondContact O-N 3.45Å; A139-R141 PolarHBondContact O-N 3.47Å; R141-L143 VanDerWaalsContact C-N 3.35Å; R141-V144 PolarHBondContact O-N 3.35Å; R141-K145 PolarHBondContact O-N 3.3Å |
| 142 | G | 96.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 94 Ų | 94 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C138 A139 L140 V144 K145 L146 | C138-G142 PolarHBondContact O-N 2.93Å; A139-G142 PolarHBondContact O-N 2.91Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.97Å; G142-V144 PolarHBondContact O-N 3.36Å; G142-K145 WeakPolarHBondContact O-CB 3.27Å; G142-K145 PolarHBondContact O-N 2.9Å; G142-L146 PolarHBondContact O-N 3.47Å |
| 143 | L | 97.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.9 | 179.8 | 62.3 | 0 | 0 | 0 | 112.5 | A139 L140 R141 K145 L146 Q147 | A139-L143 PolarHBondContact O-N 2.93Å; L140-L143 WeakPolarHBondContact O-CB 3.45Å; L140-L143 PolarHBondContact O-N 3.39Å; R141-L143 VanDerWaalsContact C-N 3.35Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.26Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 3.49Å; L143-Q147 WeakPolarHBondContact O-CG 3.16Å; L143-Q147 PolarHBondContact O-N 3.31Å |
| 144 | V | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -38.6 | 177.6 | 177 | 0 | 0 | 0 | 0 | 111.3 | L140 R141 G142 Q147 A148 | L140-V144 PolarHBondContact O-N 2.87Å; R141-V144 PolarHBondContact O-N 3.35Å; G142-V144 PolarHBondContact O-N 3.36Å; V144-Q147 PolarHBondContact O-N 2.94Å; V144-A148 PolarHBondContact O-N 3.21Å |
| 145 | K | 98 | Very high | 97.6 | Very high | 151 Ų | 151 | 93.8 Ų | 93.8 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 173.4 | -67.2 | 179.3 | 179.4 | -175.1 | 0 | 111.8 | R141 G142 L143 Q147 A148 L149 | R141-K145 PolarHBondContact O-N 3.3Å; G142-K145 WeakPolarHBondContact O-CB 3.27Å; G142-K145 PolarHBondContact O-N 2.9Å; L143-K145 VanDerWaalsContact C-N 3.3Å; L143-K145 PolarHBondContact O-N 3.26Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 3.17Å; K145-A148 WeakPolarHBondContact O-CB 3.45Å; K145-A148 PolarHBondContact O-N 2.93Å; K145-A148 VanDerWaalsContact O-N 3.16Å; K145-L149 WeakPolarHBondContact O-CG 3.46Å; K145-L149 PolarHBondContact O-N 2.89Å |
| 146 | L | 97.5 | Very high | 97.6 | Very high | 99 Ų | 99 | 93.9 Ų | 93.9 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 176.8 | -176.5 | 64 | 0 | 0 | 0 | 111.3 | G142 L143 A148 L149 V150 | G142-L146 PolarHBondContact O-N 3.47Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 3.49Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 3.49Å; L146-L149 PolarHBondContact O-N 3.19Å; L146-V150 HydrophobicContact CD1-CG2 4.44Å; L146-V150 HydrophobicContact CG-CG2 4.48Å; L146-V150 WeakPolarHBondContact O-CG2 3.43Å; L146-V150 PolarHBondContact O-N 2.96Å |
| 147 | Q | 97.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 175.4 | -71.5 | -176 | -6.8 | 0 | 0 | 112.6 | L143 V144 K145 R151 | L143-Q147 WeakPolarHBondContact O-CG 3.16Å; L143-Q147 PolarHBondContact O-N 3.31Å; V144-Q147 PolarHBondContact O-N 2.94Å; K145-Q147 VanDerWaalsContact C-N 3.31Å; K145-Q147 PolarHBondContact O-N 3.17Å; Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 VanDerWaalsContact O-CG 3.31Å; Q147-R151 WeakPolarHBondContact O-CG 3.47Å; Q147-R151 PolarHBondContact O-N 3.42Å |
| 148 | A | 97.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V144 K145 L146 R151 G152 | V144-A148 PolarHBondContact O-N 3.21Å; K145-A148 WeakPolarHBondContact O-CB 3.45Å; K145-A148 PolarHBondContact O-N 2.93Å; K145-A148 VanDerWaalsContact O-N 3.16Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 3.49Å; A148-R151 PolarHBondContact O-N 3.44Å; A148-G152 PolarHBondContact O-N 3.28Å |
| 149 | L | 97.9 | Very high | 97.6 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 176 | -70.6 | 174.3 | 0 | 0 | 0 | 112.1 | K145 L146 G152 Q153 | K145-L149 WeakPolarHBondContact O-CG 3.46Å; K145-L149 PolarHBondContact O-N 2.89Å; L146-L149 PolarHBondContact O-N 3.19Å; L149-G152 PolarHBondContact O-N 2.98Å; L149-Q153 VanDerWaalsContact O-CB 3.26Å; L149-Q153 WeakPolarHBondContact O-CB 3.39Å; L149-Q153 PolarHBondContact O-N 3.41Å |
| 150 | V | 98.2 | Very high | 97.7 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 178.3 | 172 | 0 | 0 | 0 | 0 | 111 | L146 Q153 L154 | L146-V150 HydrophobicContact CD1-CG2 4.44Å; L146-V150 HydrophobicContact CG-CG2 4.48Å; L146-V150 WeakPolarHBondContact O-CG2 3.43Å; L146-V150 PolarHBondContact O-N 2.96Å; V150-Q153 PolarHBondContact O-N 3.19Å; V150-L154 PolarHBondContact O-N 3.22Å |
| 151 | R | 98 | Very high | 97.7 | Very high | 161 Ų | 161 | 97.4 Ų | 97.4 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 175.6 | -74.3 | -177.8 | 178.8 | 105.8 | 1.9 | 111.6 | Q147 A148 Q153 L154 V155 | Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 VanDerWaalsContact O-CG 3.31Å; Q147-R151 WeakPolarHBondContact O-CG 3.47Å; Q147-R151 PolarHBondContact O-N 3.42Å; A148-R151 PolarHBondContact O-N 3.44Å; R151-Q153 VanDerWaalsContact C-N 3.33Å; R151-Q153 PolarHBondContact O-N 3.49Å; R151-L154 PolarHBondContact O-N 2.92Å; R151-V155 PolarHBondContact O-N 2.93Å |
| 152 | G | 97.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 92.5 Ų | 92.5 | 26% | 0.258 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A148 L149 V155 R156 | A148-G152 PolarHBondContact O-N 3.28Å; L149-G152 PolarHBondContact O-N 2.98Å; G152-V155 PolarHBondContact O-N 3.23Å; G152-R156 WeakPolarHBondContact O-CG 3.46Å; G152-R156 PolarHBondContact O-N 3.46Å |
| 153 | Q | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 95.1 Ų | 95.1 | 34% | 0.336 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | -179.8 | -167.4 | 67.5 | -15.7 | 0 | 0 | 112.6 | L149 V150 R151 R156 R157 | L149-Q153 VanDerWaalsContact O-CB 3.26Å; L149-Q153 WeakPolarHBondContact O-CB 3.39Å; L149-Q153 PolarHBondContact O-N 3.41Å; V150-Q153 PolarHBondContact O-N 3.19Å; R151-Q153 VanDerWaalsContact C-N 3.33Å; R151-Q153 PolarHBondContact O-N 3.49Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact OE1-NE 3.09Å; Q153-R156 VanDerWaalsContact OE1-NH2 3.17Å; Q153-R157 HydrophobicContact CG-CG 4.45Å; Q153-R157 WeakPolarHBondContact O-CB 3.42Å; Q153-R157 VanDerWaalsContact O-CG 3.27Å; Q153-R157 WeakPolarHBondContact O-CG 3.49Å; Q153-R157 PolarHBondContact O-N 2.92Å |
| 154 | L | 97.7 | Very high | 97.9 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 174.5 | -178.6 | 62 | 0 | 0 | 0 | 111.3 | V150 R151 R157 Q158 | V150-L154 PolarHBondContact O-N 3.22Å; R151-L154 PolarHBondContact O-N 2.92Å; L154-R157 PolarHBondContact O-N 3.23Å; L154-Q158 PolarHBondContact O-N 3.45Å |
| 155 | V | 98.1 | Very high | 97.9 | Very high | 93 Ų | 93 | 104.2 Ų | 104.2 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | R151 G152 Q158 A159 | R151-V155 PolarHBondContact O-N 2.93Å; G152-V155 PolarHBondContact O-N 3.23Å; V155-Q158 PolarHBondContact O-N 3.49Å; V155-A159 WeakPolarHBondContact O-CB 3.26Å; V155-A159 PolarHBondContact O-N 3.48Å |
| 156 | R | 98.1 | Very high | 97.9 | Very high | 131 Ų | 131 | 102.1 Ų | 102.1 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 176.2 | -75.2 | -173.7 | -67.9 | -110.7 | 0.1 | 112.8 | G152 Q153 Q158 A159 N160 | G152-R156 WeakPolarHBondContact O-CG 3.46Å; G152-R156 PolarHBondContact O-N 3.46Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact OE1-NE 3.09Å; Q153-R156 VanDerWaalsContact OE1-NH2 3.17Å; R156-Q158 VanDerWaalsContact C-N 3.32Å; R156-Q158 PolarHBondContact O-N 3.47Å; R156-A159 PolarHBondContact O-N 3.31Å; R156-N160 WeakPolarHBondContact O-CB 3.27Å; R156-N160 VanDerWaalsContact O-CG 3.27Å; R156-N160 PolarHBondContact O-N 3.19Å; R156-N160 PolarHBondContact O-ND2 3.31Å |
| 157 | R | 97.8 | Very high | 97.9 | Very high | 157 Ų | 157 | 103.1 Ų | 103.1 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -43.8 | 174.8 | -77.9 | 177.9 | 176.5 | -147.3 | -2 | 111 | Q153 L154 A161 | Q153-R157 HydrophobicContact CG-CG 4.45Å; Q153-R157 WeakPolarHBondContact O-CB 3.42Å; Q153-R157 VanDerWaalsContact O-CG 3.27Å; Q153-R157 WeakPolarHBondContact O-CG 3.49Å; Q153-R157 PolarHBondContact O-N 2.92Å; L154-R157 PolarHBondContact O-N 3.23Å; R157-A161 WeakPolarHBondContact O-CB 3.34Å; R157-A161 PolarHBondContact O-N 3.45Å |
| 158 | Q | 97.5 | Very high | 97.9 | Very high | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -46.4 | 175.6 | -174.5 | 177.1 | 7.8 | 0 | 0 | 112 | L154 V155 R156 A161 T162 | L154-Q158 PolarHBondContact O-N 3.45Å; V155-Q158 PolarHBondContact O-N 3.49Å; R156-Q158 VanDerWaalsContact C-N 3.32Å; R156-Q158 PolarHBondContact O-N 3.47Å; Q158-A161 PolarHBondContact O-N 3.34Å; Q158-T162 PolarHBondContact O-N 3.16Å; Q158-T162 PolarHBondContact O-OG1 2.94Å; Q158-T162 VanDerWaalsContact O-OG1 3.12Å |
| 159 | A | 98.2 | Very high | 98 | Very high | 45 Ų | 45 | 104.2 Ų | 104.2 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V155 R156 A161 T162 L163 | V155-A159 WeakPolarHBondContact O-CB 3.26Å; V155-A159 PolarHBondContact O-N 3.48Å; R156-A159 PolarHBondContact O-N 3.31Å; A159-A161 PolarHBondContact O-N 2.8Å; A159-T162 PolarHBondContact O-N 3.22Å; A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.89Å |
| 160 | N | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.1 | -76 | -19 | 0 | 0 | 0 | 112.3 | R156 T162 L163 R164 | R156-N160 WeakPolarHBondContact O-CB 3.27Å; R156-N160 VanDerWaalsContact O-CG 3.27Å; R156-N160 PolarHBondContact O-N 3.19Å; R156-N160 PolarHBondContact O-ND2 3.31Å; N160-T162 VanDerWaalsContact C-N 3.35Å; N160-L163 PolarHBondContact O-N 3.41Å; N160-R164 WeakPolarHBondContact O-CG 3.44Å; N160-R164 PolarHBondContact O-N 3.43Å |
| 161 | A | 97.5 | Very high | 98 | Very high | 43 Ų | 43 | 103 Ų | 103 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R157 Q158 A159 R165 | R157-A161 WeakPolarHBondContact O-CB 3.34Å; R157-A161 PolarHBondContact O-N 3.45Å; Q158-A161 PolarHBondContact O-N 3.34Å; A159-A161 PolarHBondContact O-N 2.8Å; A161-R165 VanDerWaalsContact O-CG 3.28Å; A161-R165 WeakPolarHBondContact O-CG 3.36Å; A161-R165 PolarHBondContact O-N 3.31Å; A161-R165 VanDerWaalsContact O-N 3.12Å |
| 162 | T | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 97.6 Ų | 97.6 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | Q158 A159 N160 R165 M166 | Q158-T162 PolarHBondContact O-N 3.16Å; Q158-T162 PolarHBondContact O-OG1 2.94Å; Q158-T162 VanDerWaalsContact O-OG1 3.12Å; A159-T162 PolarHBondContact O-N 3.22Å; N160-T162 VanDerWaalsContact C-N 3.35Å; T162-R165 WeakPolarHBondContact O-CB 3.31Å; T162-R165 PolarHBondContact O-N 3.45Å; T162-M166 HydrophobicContact CG2-CE 3.51Å; T162-M166 HydrophobicContact CG2-CG 4.45Å; T162-M166 HydrophobicContact CG2-SD 3.98Å; T162-M166 VanDerWaalsContact O-CG 3.31Å; T162-M166 WeakPolarHBondContact O-CG 3.26Å; T162-M166 PolarHBondContact O-N 3.17Å |
| 163 | L | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.7 | -76.3 | 173 | 0 | 0 | 0 | 112.1 | A159 N160 R165 M166 Q167 | A159-L163 WeakPolarHBondContact O-CB 3.43Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.89Å; N160-L163 PolarHBondContact O-N 3.41Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.27Å; L163-M166 PolarHBondContact O-N 3.16Å; L163-Q167 WeakPolarHBondContact O-CB 3.46Å; L163-Q167 WeakPolarHBondContact O-CG 3.38Å; L163-Q167 PolarHBondContact O-N 3.06Å |
| 164 | R | 98.1 | Very high | 97.9 | Very high | 186 Ų | 186 | 100.7 Ų | 100.7 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 174.7 | -74.3 | -179.1 | -178.4 | 165.9 | -0.7 | 112.1 | N160 Q167 A168 | N160-R164 WeakPolarHBondContact O-CG 3.44Å; N160-R164 PolarHBondContact O-N 3.43Å; R164-Q167 PolarHBondContact O-N 3.38Å; R164-A168 PolarHBondContact O-N 3.27Å; R164-A168 VanDerWaalsContact O-N 3.12Å |
| 165 | R | 98 | Very high | 97.9 | Very high | 185 Ų | 185 | 103.9 Ų | 103.9 | 70% | 0.698 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 174.3 | -70.4 | 171.5 | -176.1 | -157.4 | 0.6 | 111.5 | A161 T162 L163 A168 L169 | A161-R165 VanDerWaalsContact O-CG 3.28Å; A161-R165 WeakPolarHBondContact O-CG 3.36Å; A161-R165 PolarHBondContact O-N 3.31Å; A161-R165 VanDerWaalsContact O-N 3.12Å; T162-R165 WeakPolarHBondContact O-CB 3.31Å; T162-R165 PolarHBondContact O-N 3.45Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 3.27Å; R165-A168 PolarHBondContact O-N 2.8Å; R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.49Å; R165-L169 VanDerWaalsContact O-N 3.15Å |
| 166 | M | 98.2 | Very high | 97.8 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 177.4 | -72.5 | 172.3 | 173.9 | 0 | 0 | 112.1 | T162 L163 A168 L169 V170 | T162-M166 HydrophobicContact CG2-CE 3.51Å; T162-M166 HydrophobicContact CG2-CG 4.45Å; T162-M166 HydrophobicContact CG2-SD 3.98Å; T162-M166 VanDerWaalsContact O-CG 3.31Å; T162-M166 WeakPolarHBondContact O-CG 3.26Å; T162-M166 PolarHBondContact O-N 3.17Å; L163-M166 PolarHBondContact O-N 3.16Å; M166-A168 PolarHBondContact O-N 3.34Å; M166-L169 WeakPolarHBondContact O-CB 3.48Å; M166-L169 PolarHBondContact O-N 3.44Å; M166-L169 VanDerWaalsContact O-N 3.15Å; M166-V170 WeakPolarHBondContact O-CG2 3.32Å; M166-V170 PolarHBondContact O-N 3.46Å |
| 167 | Q | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 105.6 Ų | 105.6 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57 | -48.5 | 175.5 | -75.2 | 171.2 | -26.6 | 0 | 0 | 111.2 | L163 R164 L169 V170 D171 | L163-Q167 WeakPolarHBondContact O-CB 3.46Å; L163-Q167 WeakPolarHBondContact O-CG 3.38Å; L163-Q167 PolarHBondContact O-N 3.06Å; R164-Q167 PolarHBondContact O-N 3.38Å; Q167-L169 VanDerWaalsContact C-N 3.28Å; Q167-L169 PolarHBondContact O-N 2.96Å; Q167-V170 PolarHBondContact O-N 3.26Å; Q167-V170 VanDerWaalsContact O-N 3.15Å; Q167-D171 PolarHBondContact O-N 3.36Å |
| 168 | A | 97.7 | Very high | 97.7 | Very high | 61 Ų | 61 | 100.6 Ų | 100.6 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R164 R165 M166 A172 | R164-A168 PolarHBondContact O-N 3.27Å; R164-A168 VanDerWaalsContact O-N 3.12Å; R165-A168 PolarHBondContact O-N 2.8Å; M166-A168 PolarHBondContact O-N 3.34Å; A168-A172 WeakPolarHBondContact O-CB 3.46Å; A168-A172 PolarHBondContact O-N 2.91Å |
| 169 | L | 98.2 | Very high | 97.6 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 175.5 | -71.1 | 171.9 | 0 | 0 | 0 | 112.2 | R165 M166 Q167 D171 A172 Q173 | R165-L169 WeakPolarHBondContact O-CG 3.38Å; R165-L169 PolarHBondContact O-N 3.49Å; R165-L169 VanDerWaalsContact O-N 3.15Å; M166-L169 WeakPolarHBondContact O-CB 3.48Å; M166-L169 PolarHBondContact O-N 3.44Å; M166-L169 VanDerWaalsContact O-N 3.15Å; Q167-L169 VanDerWaalsContact C-N 3.28Å; Q167-L169 PolarHBondContact O-N 2.96Å; L169-D171 VanDerWaalsContact C-N 3.32Å; L169-A172 PolarHBondContact O-N 3.01Å; L169-Q173 WeakPolarHBondContact O-CB 3.47Å; L169-Q173 VanDerWaalsContact O-CG 3.29Å; L169-Q173 WeakPolarHBondContact O-CG 3.28Å; L169-Q173 PolarHBondContact O-N 3.25Å |
| 170 | V | 98.1 | Very high | 97.4 | Very high | 88 Ų | 88 | 105.6 Ų | 105.6 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | M166 Q167 Q173 S174 | M166-V170 WeakPolarHBondContact O-CG2 3.32Å; M166-V170 PolarHBondContact O-N 3.46Å; Q167-V170 PolarHBondContact O-N 3.26Å; Q167-V170 VanDerWaalsContact O-N 3.15Å; V170-Q173 PolarHBondContact O-N 3.41Å; V170-S174 PolarHBondContact O-N 2.85Å |
| 171 | D | 98.1 | Very high | 97.1 | Very high | 87 Ų | 87 | 103.6 Ų | 103.6 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.8 | -69.7 | -20.7 | 0 | 0 | 0 | 112.3 | Q167 L169 Q173 S174 R175 | Q167-D171 PolarHBondContact O-N 3.36Å; L169-D171 VanDerWaalsContact C-N 3.32Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; D171-S174 PolarHBondContact O-N 3.18Å; D171-S174 PolarHBondContact O-OG 3.45Å; D171-R175 WeakPolarHBondContact O-CB 3.31Å; D171-R175 VanDerWaalsContact O-CG 3.23Å; D171-R175 WeakPolarHBondContact O-CG 3.46Å; D171-R175 PolarHBondContact O-N 3.02Å; D171-R175 VanDerWaalsContact O-N 3.08Å |
| 172 | A | 97.7 | Very high | 96.8 | Very high | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A168 L169 R175 L176 | A168-A172 WeakPolarHBondContact O-CB 3.46Å; A168-A172 PolarHBondContact O-N 2.91Å; L169-A172 PolarHBondContact O-N 3.01Å; A172-R175 PolarHBondContact O-N 3.45Å; A172-L176 WeakPolarHBondContact O-CB 3.49Å; A172-L176 WeakPolarHBondContact O-CG 3.39Å; A172-L176 PolarHBondContact O-N 3.47Å |
| 173 | Q | 97.7 | Very high | 96.3 | Very high | 102 Ų | 102 | 113 Ų | 113 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 176.9 | -74.5 | 179.2 | 1.7 | 0 | 0 | 112.5 | L169 V170 D171 R175 L176 R177 | L169-Q173 WeakPolarHBondContact O-CB 3.47Å; L169-Q173 VanDerWaalsContact O-CG 3.29Å; L169-Q173 WeakPolarHBondContact O-CG 3.28Å; L169-Q173 PolarHBondContact O-N 3.25Å; V170-Q173 PolarHBondContact O-N 3.41Å; D171-Q173 VanDerWaalsContact C-N 3.34Å; Q173-R175 VanDerWaalsContact C-N 3.35Å; Q173-L176 PolarHBondContact O-N 3.28Å; Q173-R177 WeakPolarHBondContact O-CG 3.42Å; Q173-R177 PolarHBondContact O-N 3.01Å |
| 174 | S | 97 | Very high | 95.7 | Very high | 60 Ų | 60 | 113.8 Ų | 113.8 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.3 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | V170 D171 R177 A178 | V170-S174 PolarHBondContact O-N 2.85Å; D171-S174 PolarHBondContact O-N 3.18Å; D171-S174 PolarHBondContact O-OG 3.45Å; S174-R177 PolarHBondContact O-N 3.44Å; S174-A178 WeakPolarHBondContact O-CB 3.39Å; S174-A178 PolarHBondContact O-N 3.01Å |
| 175 | R | 97.2 | Very high | 95 | Very high | 187 Ų | 187 | 110.2 Ų | 110.2 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 173.4 | -70.2 | 170.2 | -172.7 | -88.7 | 0 | 112.5 | D171 A172 Q173 R177 A178 Q179 | D171-R175 WeakPolarHBondContact O-CB 3.31Å; D171-R175 VanDerWaalsContact O-CG 3.23Å; D171-R175 WeakPolarHBondContact O-CG 3.46Å; D171-R175 PolarHBondContact O-N 3.02Å; D171-R175 VanDerWaalsContact O-N 3.08Å; A172-R175 PolarHBondContact O-N 3.45Å; Q173-R175 VanDerWaalsContact C-N 3.35Å; R175-R177 VanDerWaalsContact C-N 3.34Å; R175-R177 PolarHBondContact O-N 3.33Å; R175-A178 PolarHBondContact O-N 3.44Å; R175-Q179 WeakPolarHBondContact O-CB 3.46Å; R175-Q179 PolarHBondContact O-N 2.85Å |
| 176 | L | 97.1 | Very high | 94.1 | Very high | 88 Ų | 88 | 104.3 Ų | 104.3 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.1 | -75.9 | 171.4 | 0 | 0 | 0 | 112.2 | A172 Q173 Q179 R180 | A172-L176 WeakPolarHBondContact O-CB 3.49Å; A172-L176 WeakPolarHBondContact O-CG 3.39Å; A172-L176 PolarHBondContact O-N 3.47Å; Q173-L176 PolarHBondContact O-N 3.28Å; L176-Q179 PolarHBondContact O-N 3.12Å; L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.23Å; L176-R180 PolarHBondContact O-N 3.41Å |
| 177 | R | 96.4 | Very high | 93 | Very high | 172 Ų | 172 | 105.5 Ų | 105.5 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 174.8 | -75.5 | -178.7 | -179.3 | 140.4 | 0.8 | 112 | Q173 S174 R175 Q179 R180 A181 | Q173-R177 WeakPolarHBondContact O-CG 3.42Å; Q173-R177 PolarHBondContact O-N 3.01Å; S174-R177 PolarHBondContact O-N 3.44Å; R175-R177 VanDerWaalsContact C-N 3.34Å; R175-R177 PolarHBondContact O-N 3.33Å; R177-Q179 VanDerWaalsContact C-N 3.33Å; R177-Q179 PolarHBondContact O-N 3.36Å; R177-R180 PolarHBondContact O-N 3.31Å; R177-A181 PolarHBondContact O-N 2.86Å |
| 178 | A | 95.7 | Very high | 91.5 | Very high | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S174 R175 A181 R182 | S174-A178 WeakPolarHBondContact O-CB 3.39Å; S174-A178 PolarHBondContact O-N 3.01Å; R175-A178 PolarHBondContact O-N 3.44Å; A178-A181 PolarHBondContact O-N 3.04Å; A178-R182 WeakPolarHBondContact O-CG 3.47Å; A178-R182 PolarHBondContact O-N 3.28Å; A178-R182 VanDerWaalsContact O-N 3.07Å |
| 179 | Q | 95.3 | Very high | 89.7 | Confident | 110 Ų | 110 | 107.3 Ų | 107.3 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174.3 | -176.2 | -179.2 | -4.8 | 0 | 0 | 111.5 | R175 L176 R177 A181 R182 M183 | R175-Q179 WeakPolarHBondContact O-CB 3.46Å; R175-Q179 PolarHBondContact O-N 2.85Å; L176-Q179 PolarHBondContact O-N 3.12Å; R177-Q179 VanDerWaalsContact C-N 3.33Å; R177-Q179 PolarHBondContact O-N 3.36Å; Q179-A181 PolarHBondContact O-N 3.12Å; Q179-R182 PolarHBondContact O-N 3.17Å; Q179-M183 HydrophobicContact CG-SD 4.23Å; Q179-M183 WeakPolarHBondContact O-CG 3.49Å; Q179-M183 PolarHBondContact O-N 3.48Å |
| 180 | R | 94.6 | Very high | 88.1 | Confident | 172 Ų | 172 | 108 Ų | 108 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -41.4 | 176.5 | -75.1 | 175.7 | -176.5 | -176.7 | 0.4 | 112.4 | L176 R177 M183 L184 | L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 VanDerWaalsContact O-CG 3.29Å; L176-R180 WeakPolarHBondContact O-CG 3.23Å; L176-R180 PolarHBondContact O-N 3.41Å; R177-R180 PolarHBondContact O-N 3.31Å; R180-M183 PolarHBondContact O-N 2.82Å; R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.82Å; R180-L184 VanDerWaalsContact O-N 3.09Å |
| 181 | A | 92.6 | Very high | 86.3 | Confident | 47 Ų | 47 | 109 Ų | 109 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.7 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R177 A178 Q179 M183 L184 D185 | R177-A181 PolarHBondContact O-N 2.86Å; A178-A181 PolarHBondContact O-N 3.04Å; Q179-A181 PolarHBondContact O-N 3.12Å; A181-M183 VanDerWaalsContact C-N 3.31Å; A181-M183 PolarHBondContact O-N 3.24Å; A181-L184 PolarHBondContact O-N 2.94Å; A181-D185 VanDerWaalsContact O-CG 3.32Å; A181-D185 PolarHBondContact O-N 3.08Å |
| 182 | R | 91.8 | Very high | 84.4 | Confident | 195 Ų | 195 | 109.2 Ų | 109.2 | 74% | 0.736 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.1 | -35.5 | 176.7 | -71.8 | 179.1 | 177.5 | -171.4 | -2.4 | 113.9 | A178 Q179 A186 | A178-R182 WeakPolarHBondContact O-CG 3.47Å; A178-R182 PolarHBondContact O-N 3.28Å; A178-R182 VanDerWaalsContact O-N 3.07Å; Q179-R182 PolarHBondContact O-N 3.17Å; R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3.1Å |
| 183 | M | 87.3 | Confident | 82.4 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -41.4 | 176.8 | -72.3 | 177.9 | 66.2 | 0 | 0 | 111.6 | Q179 R180 A181 D185 A186 D187 | Q179-M183 HydrophobicContact CG-SD 4.23Å; Q179-M183 WeakPolarHBondContact O-CG 3.49Å; Q179-M183 PolarHBondContact O-N 3.48Å; R180-M183 PolarHBondContact O-N 2.82Å; A181-M183 VanDerWaalsContact C-N 3.31Å; A181-M183 PolarHBondContact O-N 3.24Å; M183-D185 VanDerWaalsContact C-N 3.34Å; M183-A186 PolarHBondContact O-N 2.87Å; M183-D187 PolarHBondContact O-N 3.39Å |
| 184 | L | 85.6 | Confident | 80.3 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.6 | -39.7 | 174.2 | -68.6 | 172.1 | 0 | 0 | 0 | 111.8 | R180 A181 A186 D187 H188 | R180-L184 WeakPolarHBondContact O-CG 3.47Å; R180-L184 PolarHBondContact O-N 2.82Å; R180-L184 VanDerWaalsContact O-N 3.09Å; A181-L184 PolarHBondContact O-N 2.94Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.12Å; L184-D187 PolarHBondContact O-N 3.23Å; L184-H188 PolarHBondContact O-CD2 2.89Å; L184-H188 PolarHBondContact O-N 3.05Å |
| 185 | D | 83 | Confident | 78.4 | Confident | 111 Ų | 111 | 116.7 Ų | 116.7 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 174.3 | -63.4 | -29.5 | 0 | 0 | 0 | 111.6 | A181 M183 H188 A189 | A181-D185 VanDerWaalsContact O-CG 3.32Å; A181-D185 PolarHBondContact O-N 3.08Å; M183-D185 VanDerWaalsContact C-N 3.34Å; D185-H188 PolarHBondContact O-N 3.36Å; D185-A189 WeakPolarHBondContact O-CB 3.29Å; D185-A189 PolarHBondContact O-N 2.97Å |
| 186 | A | 79.1 | Confident | 76.1 | Confident | 62 Ų | 62 | 115.7 Ų | 115.7 | 51% | 0.512 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.6 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R182 M183 L184 H188 A189 | R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3.1Å; M183-A186 PolarHBondContact O-N 2.87Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 3.12Å; A186-H188 PolarHBondContact O-N 2.96Å; A186-A189 PolarHBondContact O-N 3.29Å |
| 187 | D | 73.9 | Confident | 73.7 | Confident | 130 Ų | 130 | 123.7 Ų | 123.7 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68.7 | -24.1 | 175.1 | -70.8 | -23.1 | 0 | 0 | 0 | 112 | M183 L184 | M183-D187 PolarHBondContact O-N 3.39Å; L184-D187 PolarHBondContact O-N 3.23Å |
| 188 | H | 67.3 | Low | 71.5 | Confident | 155 Ų | 155 | 126.5 Ų | 126.5 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -94.6 | -17.2 | 173.4 | -65.5 | -49.7 | 0 | 0 | 0 | 113.8 | L184 D185 A186 T190 | L184-H188 PolarHBondContact O-CD2 2.89Å; L184-H188 PolarHBondContact O-N 3.05Å; D185-H188 PolarHBondContact O-N 3.36Å; A186-H188 PolarHBondContact O-N 2.96Å; H188-T190 PolarHBondContact O-N 3.15Å |
| 189 | A | 59.7 | Low | 69.7 | Low | 64 Ų | 64 | 128.1 Ų | 128.1 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -73.4 | 100.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | D185 A186 | D185-A189 WeakPolarHBondContact O-CB 3.29Å; D185-A189 PolarHBondContact O-N 2.97Å; A186-A189 PolarHBondContact O-N 3.29Å |
| 190 | T | 64.5 | Low | 67.7 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | | | trans | -45.2 | 129 | 167.5 | -39.9 | 0 | 0 | 0 | 0 | 108.7 | H188 | H188-T190 PolarHBondContact O-N 3.15Š|
| 191 | P | 60.8 | Low | 65.8 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | | | trans | -53.8 | 129.4 | -178.5 | 21.4 | -32.2 | 0 | 0 | 0 | 107.8 | A193 | P191-A193 PolarHBondContact O-N 3.15Š|
| 192 | P | 59.2 | Low | 63.9 | Low | 91 Ų | 91 | 133.9 Ų | 133.9 | 59% | 0.591 | 70% | 0.7 | S | S | * | * | | | trans | -58.6 | 118 | 173.6 | 25 | -31.5 | 0 | 0 | 0 | 106.1 | A194 Y195 | P192-A194 PolarHBondContact O-N 3.46Å; P192-Y195 HydrophobicContact CB-CE1 4.02Å; P192-Y195 VanDerWaalsContact CB-OH 3.25Å; P192-Y195 WeakPolarHBondContact CB-OH 3.36Å |
| 193 | A | 55.4 | Low | 61.9 | Low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | | | trans | -42.6 | 117.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P191 Y195 | P191-A193 PolarHBondContact O-N 3.15Å; A193-Y195 VanDerWaalsContact C-N 3.35Å; A193-Y195 WeakPolarHBondContact O-CD1 3.41Å; A193-Y195 WeakPolarHBondContact O-CE1 3.4Å; A193-Y195 PolarHBondContact O-N 3.48Å |
| 194 | A | 53.7 | Low | 60.2 | Low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | | | trans | -49.1 | 99.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P192 Q196 | P192-A194 PolarHBondContact O-N 3.46Å; A194-Q196 PolarHBondContact O-N 3.15Å |
| 195 | Y | 55.8 | Low | 58.6 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | trans | -68.7 | 107.3 | 171.3 | 2.9 | -89.4 | 0 | 0 | 0 | 106.4 | P192 A193 | P192-Y195 HydrophobicContact CB-CE1 4.02Å; P192-Y195 VanDerWaalsContact CB-OH 3.25Å; P192-Y195 WeakPolarHBondContact CB-OH 3.36Å; A193-Y195 VanDerWaalsContact C-N 3.35Å; A193-Y195 WeakPolarHBondContact O-CD1 3.41Å; A193-Y195 WeakPolarHBondContact O-CE1 3.4Å; A193-Y195 PolarHBondContact O-N 3.48Å |
| 196 | Q | 49.9 | Very low | 57 | Low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | | | trans | 30.5 | 106.7 | 139.7 | -62.2 | 178 | 8.9 | 0 | 0 | 114.7 | A194 R198 | A194-Q196 PolarHBondContact O-N 3.15Å; Q196-R198 PolarHBondContact O-N 2.94Å |
| 197 | R | 46.2 | Very low | 55.5 | Low | 256 Ų | 256 | 144 Ų | 144 | 97% | 0.966 | 75% | 0.753 | S | S | * | * | | | trans | -38.6 | 105.8 | 154 | -77.3 | -164.3 | 180 | -112.8 | 7.6 | 109.5 | | |
| 198 | R | 50.8 | Low | 54.2 | Low | 231 Ų | 231 | 148.1 Ų | 148.1 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | -123.4 | 118.8 | 164 | -121.9 | 178.4 | -178.1 | -165.7 | -0.2 | 109.3 | Q196 | Q196-R198 PolarHBondContact O-N 2.94Š|
| 199 | S | 58.1 | Low | 53 | Low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | trans | -39 | 140.4 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 114 | H201 | S199-H201 VanDerWaalsContact C-N 3.26Å; S199-H201 PolarHBondContact O-N 2.88Å |
| 200 | P | 53.5 | Low | 52.1 | Low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -79.5 | 68.7 | 177.2 | 33.5 | -33.6 | 0 | 0 | 0 | 111.4 | | |
| 201 | H | 52.8 | Low | 51.3 | Low | 145 Ų | 145 | 150.2 Ų | 150.2 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -143.7 | 107 | 164.1 | -72.7 | -41.7 | 0 | 0 | 0 | 108.5 | S199 | S199-H201 VanDerWaalsContact C-N 3.26Å; S199-H201 PolarHBondContact O-N 2.88Å |
| 202 | H | 53.6 | Low | 50.6 | Low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | | 166.6 | 147.6 | 127.6 | -74.7 | -19.1 | 0 | 0 | 0 | 111.4 | | |
| 203 | P | 48.9 | Very low | 50.4 | Low | 116 Ų | 116 | 153.9 Ų | 153.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -86.5 | 164.3 | -154.8 | 35.3 | -34.5 | 0 | 0 | 0 | 114 | | |
| 204 | I | 52.9 | Low | 50.1 | Low | 162 Ų | 162 | 157 Ų | 157 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | -32.3 | 134.7 | 173.9 | -58.3 | 162.6 | 0 | 0 | 0 | 113.6 | | |
| 205 | P | 51.4 | Low | 50.1 | Low | 121 Ų | 121 | 160.4 Ų | 160.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -132 | 123.6 | 127.2 | 19.4 | 0.4 | 0 | 0 | 0 | 112.8 | | |
| 206 | M | 49.3 | Very low | 50 | Low | 162 Ų | 162 | 163.4 Ų | 163.4 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | 6.1 | 134.3 | 136.1 | -83.8 | -77.4 | -177.8 | 0 | 0 | 118.7 | | |
| 207 | R | 47.4 | Very low | 49.8 | Very low | 234 Ų | 234 | 160.7 Ų | 160.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | 78 | 91.7 | 158.5 | -63.5 | -167 | -176.5 | -92.7 | 2.1 | 118 | | |
| 208 | R | 46.6 | Very low | 50.3 | Low | 216 Ų | 216 | 151.6 Ų | 151.6 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | -145.7 | 77 | 137.6 | -136.7 | 175.1 | -163.5 | -159.3 | 3.1 | 111.2 | | |
| 209 | S | 42.1 | Very low | 50.3 | Low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 131.5 | 149.2 | 173.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 210 | S | 40.8 | Very low | 50.3 | Low | 99 Ų | 99 | 153.7 Ų | 153.7 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | 121.9 | 77 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 211 | Y | 47.3 | Very low | 50.4 | Low | 167 Ų | 167 | 156.2 Ų | 156.2 | 66% | 0.655 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -177.2 | -4.9 | 136.9 | 48.2 | -108.1 | 0 | 0 | 0 | 114.8 | A213 | Y211-A213 PolarHBondContact O-N 3.22Š|
| 212 | E | 47.6 | Very low | 50.9 | Low | 189 Ų | 189 | 155.4 Ų | 155.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 64.1 | 171.9 | -67.7 | -173.2 | 171.7 | 0 | 0 | 111.7 | | |
| 213 | A | 54.5 | Low | 51.6 | Low | 88 Ų | 88 | 156 Ų | 156 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | 10.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y211 | Y211-A213 PolarHBondContact O-N 3.22Š|
| 214 | M | 49.9 | Very low | 52.2 | Low | 149 Ų | 149 | 156.1 Ų | 156.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -101.9 | -1.9 | -169 | -69 | -66.2 | -118.6 | 0 | 0 | 116.3 | R216 | M214-R216 VanDerWaalsContact C-N 3.27Å; M214-R216 PolarHBondContact O-N 3.08Å |
| 215 | D | 52.3 | Low | 53.2 | Low | 173 Ų | 173 | 153.7 Ų | 153.7 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 32.7 | 176.8 | -76.3 | -21 | 0 | 0 | 0 | 114.5 | | |
| 216 | R | 53.3 | Low | 53.7 | Low | 246 Ų | 246 | 156.8 Ų | 156.8 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 13.3 | 169.6 | -86.2 | -169.4 | -179.9 | 166 | 1 | 114.5 | M214 | M214-R216 VanDerWaalsContact C-N 3.27Å; M214-R216 PolarHBondContact O-N 3.08Å |
| 217 | S | 46.8 | Very low | 54.7 | Low | 107 Ų | 107 | 157.2 Ų | 157.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -120 | 54.2 | -171.9 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 218 | G | 55.8 | Low | 55.4 | Low | 66 Ų | 66 | 153.9 Ų | 153.9 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | -131.1 | -1.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 219 | E | 51.2 | Low | 55.8 | Low | 200 Ų | 200 | 148.1 Ų | 148.1 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | | | trans | -114.7 | 73.6 | 178.9 | -77.2 | 173.7 | 170.4 | 0 | 0 | 111.3 | | |
| 220 | E | 59.1 | Low | 56 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | -9.2 | 111.9 | 144.2 | -158.8 | 171.1 | 176.1 | 0 | 0 | 116.7 | | |
| 221 | H | 55.2 | Low | 56.4 | Low | 173 Ų | 173 | 148.4 Ų | 148.4 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | | | trans | 51.4 | 72.2 | 146.3 | -51.7 | -53.7 | 0 | 0 | 0 | 119.9 | | |
| 222 | V | 64 | Low | 56.7 | Low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -102.6 | 94.5 | 149.8 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | V224 | V222-V224 VanDerWaalsContact C-N 3.27Å; V222-V224 HydrophobicContact CG1-CG2 4.09Å; V222-V224 PolarHBondContact O-N 2.92Å |
| 223 | K | 68.1 | Low | 56.6 | Low | 196 Ų | 196 | 141.6 Ų | 141.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | trans | -68.9 | 87.6 | 169.3 | -160.8 | 174.7 | -172.6 | 179.6 | 0 | 107.3 | V225 | K223-V225 PolarHBondContact O-N 3.23Š|
| 224 | V | 61.6 | Low | 56.2 | Low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 105.4 | 169.7 | -177.7 | 0 | 0 | 0 | 0 | 106.1 | V222 E226 | V222-V224 VanDerWaalsContact C-N 3.27Å; V222-V224 HydrophobicContact CG1-CG2 4.09Å; V222-V224 PolarHBondContact O-N 2.92Å; V224-E226 PolarHBondContact O-N 3.02Å; V224-E226 VanDerWaalsContact O-N 3.08Å |
| 225 | V | 72.3 | Confident | 55.9 | Low | 110 Ų | 110 | 153.8 Ų | 153.8 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | | | trans | -60.4 | 108.3 | 165.3 | 173.8 | 0 | 0 | 0 | 0 | 105.8 | K223 M227 | K223-V225 PolarHBondContact O-N 3.23Å; V225-M227 VanDerWaalsContact C-N 3.3Å; V225-M227 PolarHBondContact O-N 3.22Å |
| 226 | E | 61.6 | Low | 55.2 | Low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -56.1 | 102 | 160.4 | -101.9 | -178.8 | 147.5 | 0 | 0 | 106.6 | V224 D228 | V224-E226 PolarHBondContact O-N 3.02Å; V224-E226 VanDerWaalsContact O-N 3.08Å; E226-D228 PolarHBondContact O-N 2.96Å |
| 227 | M | 72 | Confident | 54.6 | Low | 171 Ų | 171 | 148.4 Ų | 148.4 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -82 | 105.8 | 169.9 | -149.7 | 120 | 123.4 | 0 | 0 | 105.4 | V225 A229 | V225-M227 VanDerWaalsContact C-N 3.3Å; V225-M227 PolarHBondContact O-N 3.22Å; M227-A229 PolarHBondContact O-N 3.39Å |
| 228 | D | 61.1 | Low | 54.3 | Low | 164 Ų | 164 | 148 Ų | 148 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -47.4 | 101 | 170.2 | -92.3 | -31.7 | 0 | 0 | 0 | 109.4 | E226 G230 | E226-D228 PolarHBondContact O-N 2.96Å; D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 2.9Å; D228-G230 VanDerWaalsContact O-N 3.1Å |
| 229 | A | 55.9 | Low | 53.6 | Low | 95 Ų | 95 | 150 Ų | 150 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -81 | 85.2 | 165 | 0 | 0 | 0 | 0 | 0 | 106.6 | M227 D231 | M227-A229 PolarHBondContact O-N 3.39Å; A229-D231 PolarHBondContact O-N 2.87Å |
| 230 | G | 44.9 | Very low | 52.9 | Low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -50.5 | 126.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D228 P232 | D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 2.9Å; D228-G230 VanDerWaalsContact O-N 3.1Å; G230-P232 VanDerWaalsContact O-CD 3.26Å; G230-P232 WeakPolarHBondContact O-CD 3.29Å |
| 231 | D | 49.1 | Very low | 52 | Low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | trans | -59.5 | 120 | 171.3 | -72.3 | -52.1 | 0 | 0 | 0 | 111 | A229 A233 | A229-D231 PolarHBondContact O-N 2.87Å; D231-A233 PolarHBondContact O-N 3.32Å |
| 232 | P | 54.3 | Low | 51.3 | Low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -81.7 | 99.7 | 158.4 | 30.9 | -27.2 | 0 | 0 | 0 | 109.1 | G230 | G230-P232 VanDerWaalsContact O-CD 3.26Å; G230-P232 WeakPolarHBondContact O-CD 3.29Å |
| 233 | A | 46.6 | Very low | 50.2 | Low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -22.5 | 133.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | D231 | D231-A233 PolarHBondContact O-N 3.32Š|
| 234 | R | 45.6 | Very low | 48.8 | Very low | 240 Ų | 240 | 134.1 Ų | 134.1 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | | 40 | 101.4 | 126.2 | -60.1 | -177.6 | 177.3 | -121.6 | 0 | 117.8 | | |
| 235 | R | 44.2 | Very low | 47.8 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | | | trans | -147.4 | 114 | 131.5 | -74 | -169.1 | -171.6 | -127.4 | -0.6 | 106.6 | | |
| 236 | G | 37 | Very low | 46.6 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | cis | 91.7 | 73.6 | 31.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 237 | R | 41.1 | Very low | 45.9 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | trans | -176.1 | 85.7 | 157.2 | -157.7 | 163.9 | -80.8 | -132.8 | -2.1 | 108.9 | | |
| 238 | S | 39.8 | Very low | 44.5 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | | 51 | 122.6 | 80.7 | 84 | 0 | 0 | 0 | 0 | 115.1 | | |
| 239 | S | 41.2 | Very low | 43.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | 102.6 | 105.3 | 143.5 | -51.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 240 | C | 36.8 | Very low | 43.6 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | | | trans | 120.1 | 93 | 131.3 | -63.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 241 | S | 39.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | | | trans | -136.3 | 85.3 | 136.1 | 65.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 242 | A | 40.8 | Very low | 43.7 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -68.1 | 160.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 243 | A | 42 | Very low | 43.3 | Very low | 94 Ų | 94 | 150.6 Ų | 150.6 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | | | trans | 77.8 | 84.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 244 | A | 38.4 | Very low | 43.2 | Very low | 86 Ų | 86 | 155.7 Ų | 155.7 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | | | | 59.1 | 132.6 | 53.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 245 | T | 40.9 | Very low | 43.1 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | | | trans | 73.5 | 87.6 | -172.6 | 80.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 246 | E | 45.5 | Very low | 43 | Very low | 188 Ų | 188 | 151.6 Ų | 151.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | S | Bend | | -164 | 7.5 | 101.2 | -92.7 | 177.5 | 173.9 | 0 | 0 | 113.3 | R248 | E246-R248 PolarHBondContact O-N 3.39Š|
| 247 | S | 47 | Very low | 43.4 | Very low | 122 Ų | 122 | 156.5 Ų | 156.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -95.4 | 22.3 | -170.5 | -52.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 248 | R | 44.3 | Very low | 43.6 | Very low | 211 Ų | 211 | 154.9 Ų | 154.9 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -94.4 | -15.8 | -173.9 | -160.7 | 170.2 | 179.5 | 176.6 | -1 | 115.4 | E246 | E246-R248 PolarHBondContact O-N 3.39Š|
| 249 | E | 48 | Very low | 43.4 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | G | 310 helix | trans | -92.9 | -12.3 | -170 | -69.5 | -177.4 | 168.5 | 0 | 0 | 115.8 | | |
| 250 | R | 48.3 | Very low | 43.5 | Very low | 249 Ų | 249 | 153.2 Ų | 153.2 | 94% | 0.94 | 83% | 0.833 | S | S | * | * | G | 310 helix | trans | -89.4 | -0.2 | 178.6 | -79.1 | -170.9 | 173.5 | -160.8 | -1.8 | 115.6 | | |
| 251 | R | 50.2 | Low | 43.6 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | G | 310 helix | trans | -111.5 | 9.6 | -173.7 | -147.1 | -174.3 | -80.2 | 177.3 | -5.3 | 114.5 | | |
| 252 | L | 47.9 | Very low | 43.8 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -123.4 | 6.7 | -175.7 | -77.4 | 170.4 | 0 | 0 | 0 | 115.3 | | |
| 253 | A | 44.3 | Very low | 43.7 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -102.7 | 9.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 254 | E | 44 | Very low | 43.5 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -101.6 | 9.9 | -178.7 | -103.7 | 169.3 | 175.4 | 0 | 0 | 114.4 | | |
| 255 | Y | 44.9 | Very low | 43.7 | Very low | 198 Ų | 198 | 156.9 Ų | 156.9 | 78% | 0.776 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -116.5 | 132.1 | 171.9 | -86 | -101.4 | 0 | 0 | 0 | 108.5 | | |
| 256 | Y | 42 | Very low | 43.8 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | S | Bend | trans | 82.6 | 80.6 | 179.1 | -53.1 | -82.3 | 0 | 0 | 0 | 116.8 | | |
| 257 | H | 44.8 | Very low | 43.8 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 82% | 0.819 | 84% | 0.835 | S | S | * | * | | | | -176.5 | 104.8 | 126.5 | -94.2 | -42.9 | 0 | 0 | 0 | 109.5 | | |
| 258 | H | 44.6 | Very low | 43.7 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | 173.5 | 81.4 | 136.6 | -85 | -53.6 | 0 | 0 | 0 | 107.1 | | |
| 259 | G | 37.5 | Very low | 44 | Very low | 84 Ų | 84 | 151 Ų | 151 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | | | trans | -95.1 | 140.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 260 | G | 42.2 | Very low | 43.6 | Very low | 85 Ų | 85 | 149 Ų | 149 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | trans | 127.1 | 108.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 261 | G | 38.4 | Very low | 43.3 | Very low | 82 Ų | 82 | 146.3 Ų | 146.3 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | cis | 144.1 | 128.2 | 13.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 262 | G | 43.4 | Very low | 43 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | trans | 101.2 | 78.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 263 | Q | 39.3 | Very low | 42.9 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | | | | 18.3 | 116.5 | 126.7 | -40.7 | -171.4 | 91.8 | 0 | 0 | 118.3 | | |
| 264 | C | 37.7 | Very low | 42.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | | | trans | -173.4 | 137.5 | 136.6 | -101.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 265 | S | 42.2 | Very low | 43.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | | | trans | -67.7 | 164.5 | -162.9 | -58.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 266 | P | 44.3 | Very low | 43.3 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | | | trans | -93.6 | 151.1 | 177.7 | 37 | -30.9 | 0 | 0 | 0 | 113.2 | | |
| 267 | A | 45.3 | Very low | 43.6 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 65% | 0.645 | 82% | 0.818 | S | S | * | * | | | trans | -148.1 | 136.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 268 | P | 44.1 | Very low | 43.4 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -98.5 | 143.5 | 177.8 | 35.9 | -28.3 | 0 | 0 | 0 | 111.7 | | |
| 269 | F | 50.5 | Low | 43.1 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | | | trans | -128 | 146.1 | 166.3 | -62.3 | -69.1 | 0 | 0 | 0 | 111.4 | | |
| 270 | L | 39.9 | Very low | 43.2 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | | | trans | -93.6 | 162.2 | -160.8 | -68.5 | 149.8 | 0 | 0 | 0 | 113.8 | | |
| 271 | F | 42.6 | Very low | 43.2 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | 63.4 | 109.9 | 153.3 | -60.5 | -63.6 | 0 | 0 | 0 | 120.4 | | |
| 272 | A | 43.6 | Very low | 43.3 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | | | | -173.3 | 134.4 | 112.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 273 | P | 44.7 | Very low | 43.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -98.7 | 137.1 | 177.2 | 35.3 | -26.6 | 0 | 0 | 0 | 111.5 | | |
| 274 | D | 44.3 | Very low | 43.2 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | trans | -158.7 | 123.9 | 152.8 | -143.3 | 21.3 | 0 | 0 | 0 | 111.6 | | |
| 275 | L | 52.6 | Low | 43.3 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 54.3 | 106.3 | 154 | -53.1 | 168.9 | 0 | 0 | 0 | 121.2 | | |
| 276 | S | 45.8 | Very low | 43.6 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -7.5 | 144.6 | 142.3 | -138.6 | 0 | 0 | 0 | 0 | 117.5 | Q278 | S276-Q278 PolarHBondContact OG-N 2.94Š|
| 277 | P | 47.1 | Very low | 43.7 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | -130.3 | 119.3 | 72 | 13.9 | 8.3 | 0 | 0 | 0 | 114.6 | | |
| 278 | Q | 41.7 | Very low | 44.2 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 20.1 | 110.3 | 129.2 | -143.6 | 172.6 | 26.5 | 0 | 0 | 118.4 | S276 | S276-Q278 PolarHBondContact OG-N 2.94Š|
| 279 | R | 38.3 | Very low | 44.1 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | 0.6 | 130.3 | 149.4 | -61 | -167.2 | -166.8 | -164 | 4.7 | 118.2 | | |
| 280 | G | 39.3 | Very low | 44 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -154.2 | 114.7 | 152 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 281 | D | 41.6 | Very low | 44.1 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -52.1 | 135.9 | -169.8 | -68.9 | -57.2 | 0 | 0 | 0 | 115.9 | G283 | D281-G283 PolarHBondContact O-N 3.46Š|
| 282 | S | 40.6 | Very low | 44.2 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -66 | 106.1 | 161.5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 283 | G | 40.4 | Very low | 44.3 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -117.1 | 61.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D281 L285 | D281-G283 PolarHBondContact O-N 3.46Å; G283-L285 PolarHBondContact O-N 2.87Å |
| 284 | H | 39.7 | Very low | 44.6 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | | | trans | -84.7 | 91.1 | 171.1 | -177.7 | 20.9 | 0 | 0 | 0 | 108.7 | | |
| 285 | L | 40.9 | Very low | 45 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | trans | -130.7 | 71.9 | 173.5 | -162.4 | 137 | 0 | 0 | 0 | 108.7 | G283 | G283-L285 PolarHBondContact O-N 2.87Š|
| 286 | E | 48.3 | Very low | 45 | Very low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | -132.4 | 20.4 | 174.7 | -77.4 | -69 | 153.6 | 0 | 0 | 112.5 | | |
| 287 | D | 47.1 | Very low | 45.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | trans | -111.2 | 7.5 | -176.8 | -95.4 | -9.5 | 0 | 0 | 0 | 116 | | |
| 288 | V | 54.5 | Low | 45.3 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -96.7 | 2 | -176.9 | -177.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 289 | F | 43.6 | Very low | 45.6 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | | | trans | -133.1 | 18.7 | -179.9 | -62.8 | -71.8 | 0 | 0 | 0 | 115.3 | F291 | F289-F291 VanDerWaalsContact C-N 3.27Å; F289-F291 PolarHBondContact O-N 3.45Å |
| 290 | A | 46.6 | Very low | 46.1 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | | | trans | -69.5 | 87.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D292 | A290-D292 VanDerWaalsContact C-N 3.31Å; A290-D292 PolarHBondContact O-N 3.08Å |
| 291 | F | 42.3 | Very low | 46.4 | Very low | 173 Ų | 173 | 121.7 Ų | 121.7 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | | | trans | -66.3 | 93.8 | 167.7 | -172 | -93.5 | 0 | 0 | 0 | 107.6 | F289 P293 | F289-F291 VanDerWaalsContact C-N 3.27Å; F289-F291 PolarHBondContact O-N 3.45Å; F291-P293 WeakPolarHBondContact O-CD 3.47Å |
| 292 | D | 44.4 | Very low | 46.9 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | | | trans | -80.8 | 104.9 | 178.4 | -132.6 | -15.9 | 0 | 0 | 0 | 108.9 | A290 A294 A295 | A290-D292 VanDerWaalsContact C-N 3.31Å; A290-D292 PolarHBondContact O-N 3.08Å; D292-A294 PolarHBondContact O-N 3.47Å; D292-A295 PolarHBondContact O-N 2.92Å; D292-A295 VanDerWaalsContact O-N 3.17Å |
| 293 | P | 47.7 | Very low | 47.3 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -14.1 | -174.6 | 27.5 | -34.2 | 0 | 0 | 0 | 112.9 | F291 | F291-P293 WeakPolarHBondContact O-CD 3.47Š|
| 294 | A | 50.5 | Low | 47.6 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 53% | 0.529 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -27.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D292 | D292-A294 PolarHBondContact O-N 3.47Š|
| 295 | A | 52.9 | Low | 47.8 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -30.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D292 A297 | D292-A295 PolarHBondContact O-N 2.92Å; D292-A295 VanDerWaalsContact O-N 3.17Å; A295-A297 VanDerWaalsContact C-N 3.31Å; A295-A297 PolarHBondContact O-N 3.34Å |
| 296 | T | 51.4 | Low | 48.4 | Very low | 96 Ų | 96 | 127 Ų | 127 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -75.7 | -18.3 | -179.7 | -58 | 0 | 0 | 0 | 0 | 112.9 | R298 | T296-R298 VanDerWaalsContact C-N 3.33Å; T296-R298 PolarHBondContact O-N 2.93Å |
| 297 | A | 48.1 | Very low | 48.1 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -76.8 | -17.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A295 | A295-A297 VanDerWaalsContact C-N 3.31Å; A295-A297 PolarHBondContact O-N 3.34Å |
| 298 | R | 52.4 | Low | 47.9 | Very low | 232 Ų | 232 | 128 Ų | 128 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -90.3 | -4.6 | -174.4 | -77.8 | -175.6 | 167.6 | 143.7 | -3.7 | 115.3 | T296 | T296-R298 VanDerWaalsContact C-N 3.33Å; T296-R298 PolarHBondContact O-N 2.93Å |
| 299 | S | 47.9 | Very low | 47.4 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | | | trans | -99.1 | 29.7 | -175 | 70.6 | 0 | 0 | 0 | 0 | 114.6 | P301 | S299-P301 WeakPolarHBondContact O-CD 3.42Š|
| 300 | S | 47.3 | Very low | 47.5 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | | | trans | -93.3 | 114.1 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | Y302 | S300-Y302 PolarHBondContact O-N 3.07Å; S300-Y302 VanDerWaalsContact O-N 3.1Å |
| 301 | P | 47.1 | Very low | 47.5 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | | | trans | -89.6 | 53.5 | -169.1 | 36.7 | -35.6 | 0 | 0 | 0 | 113.3 | S299 | S299-P301 WeakPolarHBondContact O-CD 3.42Š|
| 302 | Y | 51.1 | Low | 47.5 | Very low | 213 Ų | 213 | 122.2 Ų | 122.2 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | -132.5 | 41.1 | -175.2 | -143.4 | -89.1 | 0 | 0 | 0 | 114.7 | S300 | S300-Y302 PolarHBondContact O-N 3.07Å; S300-Y302 VanDerWaalsContact O-N 3.1Å |
| 303 | V | 50.1 | Low | 47.8 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | -131.4 | 98.5 | 166.9 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 304 | A | 46.4 | Very low | 47.6 | Very low | 82 Ų | 82 | 127.4 Ų | 127.4 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | trans | -78.7 | 135.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 305 | P | 44.4 | Very low | 48.1 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -88 | 138.1 | 177.9 | 33.2 | -29.4 | 0 | 0 | 0 | 110.8 | | |
| 306 | Y | 52.3 | Low | 48.5 | Very low | 215 Ų | 215 | 133.3 Ų | 133.3 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -124.5 | 140.4 | 157.4 | -83.7 | -75.7 | 0 | 0 | 0 | 108.6 | | |
| 307 | D | 42.5 | Very low | 49.5 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -58 | 139.4 | -167.6 | -51.4 | -80.6 | 0 | 0 | 0 | 114.2 | | |
| 308 | D | 42.8 | Very low | 50.7 | Low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | | -179.4 | 132.1 | 108 | -110.8 | -36.4 | 0 | 0 | 0 | 111.4 | | |
| 309 | A | 44.3 | Very low | 52 | Low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | 36.7 | 131.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 310 | A | 44.9 | Very low | 53.6 | Low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | 88.1 | 95.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 311 | D | 45.9 | Very low | 54.8 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | trans | 64.4 | 135.7 | 132.1 | -68 | -31.8 | 0 | 0 | 0 | 121.8 | | |
| 312 | A | 43 | Very low | 56.2 | Low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | 86.1 | 80.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 313 | Y | 50.7 | Low | 57.8 | Low | 228 Ų | 228 | 124.3 Ų | 124.3 | 89% | 0.894 | 73% | 0.728 | S | S | * | * | | | trans | 44.2 | 81 | 136.2 | -69.2 | -88.6 | 0 | 0 | 0 | 118.4 | V315 | Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 3.45Å |
| 314 | G | 44.9 | Very low | 59.1 | Low | 90 Ų | 90 | 125.9 Ų | 125.9 | 93% | 0.928 | 73% | 0.726 | S | S | * | * | | | | 66.3 | 4.7 | 119.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 315 | V | 60.1 | Low | 60.7 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | | | trans | -108.5 | 105 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | Y313 P317 | Y313-V315 VanDerWaalsContact C-N 3.33Å; Y313-V315 PolarHBondContact O-N 3.45Å; V315-P317 WeakPolarHBondContact O-CD 3.03Å; V315-P317 VanDerWaalsContact O-N 3.09Å |
| 316 | V | 60.3 | Low | 62.1 | Low | 138 Ų | 138 | 121.8 Ų | 121.8 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | | | trans | -59.6 | 113.7 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | S318 | V316-S318 PolarHBondContact O-N 3.31Å; V316-S318 VanDerWaalsContact O-N 3.07Å |
| 317 | P | 72.4 | Confident | 63.2 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | | | trans | -67.5 | 114.2 | -179.3 | -13.9 | 28.7 | 0 | 0 | 0 | 108 | V315 Y319 | V315-P317 WeakPolarHBondContact O-CD 3.03Å; V315-P317 VanDerWaalsContact O-N 3.09Å; P317-Y319 PolarHBondContact O-N 3.48Å |
| 318 | S | 73.1 | Confident | 64.6 | Low | 89 Ų | 89 | 118.6 Ų | 118.6 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | | | trans | -61.3 | 136.4 | 162 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | V316 M320 A321 | V316-S318 PolarHBondContact O-N 3.31Å; V316-S318 VanDerWaalsContact O-N 3.07Å; S318-M320 PolarHBondContact O-N 2.94Å; S318-A321 WeakPolarHBondContact O-CB 3.25Å; S318-A321 PolarHBondContact O-N 3.28Å |
| 319 | Y | 79.8 | Confident | 65.9 | Low | 216 Ų | 216 | 119.8 Ų | 119.8 | 85% | 0.847 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.6 | -17.7 | -175.8 | 172.5 | -107.8 | 0 | 0 | 0 | 115.6 | P317 | P317-Y319 PolarHBondContact O-N 3.48Š|
| 320 | M | 82.1 | Confident | 66.9 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 44% | 0.438 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.1 | 23.5 | 177 | -55.8 | -132.4 | 78.8 | 0 | 0 | 113.7 | S318 N322 T323 S326 | S318-M320 PolarHBondContact O-N 2.94Å; M320-N322 VanDerWaalsContact C-N 3.25Å; M320-N322 PolarHBondContact O-N 2.98Å; M320-T323 HydrophobicContact CE-CG2 3.49Å; M320-T323 VanDerWaalsContact CE-CG2 3.49Å; M320-T323 PolarHBondContact O-N 3.48Å; M320-T323 PolarHBondContact O-OG1 2.87Å; M320-T323 VanDerWaalsContact O-OG1 3.12Å; M320-S326 VanDerWaalsContact O-CB 3.29Å; M320-S326 WeakPolarHBondContact O-CB 3.36Å |
| 321 | A | 73.5 | Confident | 67.9 | Low | 46 Ų | 46 | 127.9 Ų | 127.9 | 38% | 0.38 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -34.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S318 S326 | S318-A321 WeakPolarHBondContact O-CB 3.25Å; S318-A321 PolarHBondContact O-N 3.28Å; A321-S326 PolarHBondContact O-OG 2.95Å |
| 322 | N | 76.4 | Confident | 68.5 | Low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 6.2 | -172.4 | -56.3 | -3 | 0 | 0 | 0 | 113.7 | M320 | M320-N322 VanDerWaalsContact C-N 3.25Å; M320-N322 PolarHBondContact O-N 2.98Å |
| 323 | T | 84.9 | Confident | 69.5 | Low | 46 Ų | 46 | 129.4 Ų | 129.4 | 28% | 0.282 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -88.6 | 148.1 | -177.4 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | M320 S325 S326 | M320-T323 HydrophobicContact CE-CG2 3.49Å; M320-T323 VanDerWaalsContact CE-CG2 3.49Å; M320-T323 PolarHBondContact O-N 3.48Å; M320-T323 PolarHBondContact O-OG1 2.87Å; M320-T323 VanDerWaalsContact O-OG1 3.12Å; T323-S325 WeakPolarHBondContact CB-OG 3.41Å; T323-S325 PolarHBondContact O-N 2.94Å; T323-S325 PolarHBondContact OG1-OG 2.98Å; T323-S326 WeakPolarHBondContact O-CB 3.35Å; T323-S326 PolarHBondContact O-N 3.32Å; T323-S326 PolarHBondContact O-OG 3.04Å |
| 324 | E | 76.6 | Confident | 70.2 | Confident | 173 Ų | 173 | 123.2 Ų | 123.2 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -55.5 | -28.2 | 178.2 | -65 | -163.5 | 151 | 0 | 0 | 113.1 | S326 R327 A328 | E324-S326 VanDerWaalsContact C-N 3.29Å; E324-S326 PolarHBondContact O-N 3.2Å; E324-R327 PolarHBondContact O-N 2.76Å; E324-A328 PolarHBondContact O-N 3.15Å |
| 325 | S | 79 | Confident | 70.7 | Confident | 71 Ų | 71 | 122.9 Ų | 122.9 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -64.9 | -23.4 | 173.6 | 39.3 | 0 | 0 | 0 | 0 | 114.6 | T323 | T323-S325 WeakPolarHBondContact CB-OG 3.41Å; T323-S325 PolarHBondContact O-N 2.94Å; T323-S325 PolarHBondContact OG1-OG 2.98Å |
| 326 | S | 75.1 | Confident | 70.4 | Confident | 41 Ų | 41 | 123.1 Ų | 123.1 | 29% | 0.287 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -78.6 | -40.1 | 171.5 | 78.9 | 0 | 0 | 0 | 0 | 111.5 | M320 A321 T323 E324 A328 K329 | M320-S326 VanDerWaalsContact O-CB 3.29Å; M320-S326 WeakPolarHBondContact O-CB 3.36Å; A321-S326 PolarHBondContact O-OG 2.95Å; T323-S326 WeakPolarHBondContact O-CB 3.35Å; T323-S326 PolarHBondContact O-N 3.32Å; T323-S326 PolarHBondContact O-OG 3.04Å; E324-S326 VanDerWaalsContact C-N 3.29Å; E324-S326 PolarHBondContact O-N 3.2Å; S326-A328 VanDerWaalsContact C-N 3.32Å; S326-A328 PolarHBondContact O-N 3.33Å; S326-K329 PolarHBondContact O-N 3.48Å |
| 327 | R | 74.1 | Confident | 70.1 | Confident | 209 Ų | 209 | 128.6 Ų | 128.6 | 79% | 0.789 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -63.8 | -35 | 174.6 | -77.6 | -178.7 | 159.4 | 168.4 | -4.7 | 112.4 | E324 K329 V330 | E324-R327 PolarHBondContact O-N 2.76Å; R327-K329 PolarHBondContact O-N 2.99Å; R327-V330 PolarHBondContact O-N 3.21Å |
| 328 | A | 73.5 | Confident | 69.1 | Low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -16.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E324 S326 V330 | E324-A328 PolarHBondContact O-N 3.15Å; S326-A328 VanDerWaalsContact C-N 3.32Å; S326-A328 PolarHBondContact O-N 3.33Å; A328-V330 VanDerWaalsContact C-N 3.35Å |
| 329 | K | 69.7 | Low | 67.8 | Low | 182 Ų | 182 | 136.5 Ų | 136.5 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -4.5 | 177.4 | -81.9 | 179.9 | 172.2 | 175.1 | 0 | 114.2 | S326 R327 R331 | S326-K329 PolarHBondContact O-N 3.48Å; R327-K329 PolarHBondContact O-N 2.99Å; K329-R331 PolarHBondContact O-N 2.98Å |
| 330 | V | 64.5 | Low | 66.4 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 69% | 0.686 | S | S | * | * | | | trans | -76.2 | 82.7 | 169 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | R327 A328 | R327-V330 PolarHBondContact O-N 3.21Å; A328-V330 VanDerWaalsContact C-N 3.35Å |
| 331 | R | 65.6 | Low | 64.6 | Low | 222 Ų | 222 | 136.4 Ų | 136.4 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | | | trans | -71.6 | 125.3 | 175.6 | -152.3 | 176.6 | -176.2 | 88.8 | -0.9 | 108.4 | K329 Q333 | K329-R331 PolarHBondContact O-N 2.98Å; R331-Q333 PolarHBondContact O-N 2.98Å |
| 332 | S | 59 | Low | 63.1 | Low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | | | trans | -51.7 | 123.9 | 174.6 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | S334 | S332-S334 PolarHBondContact O-N 3.09Š|
| 333 | Q | 64.7 | Low | 61.4 | Low | 201 Ų | 201 | 136 Ų | 136 | 94% | 0.939 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -70.1 | 20 | 175.4 | -71.8 | -74.2 | 2.1 | 0 | 0 | 113.7 | R331 | R331-Q333 PolarHBondContact O-N 2.98Š|
| 334 | S | 64.1 | Low | 59.7 | Low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -124.1 | 71.6 | -178.4 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | S332 | S332-S334 PolarHBondContact O-N 3.09Š|
| 335 | A | 55.9 | Low | 57.9 | Low | 82 Ų | 82 | 142.6 Ų | 142.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -141.7 | 134.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 336 | P | 53.8 | Low | 56 | Low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -80.1 | 130.7 | -158 | -5.4 | 24.3 | 0 | 0 | 0 | 111 | Q338 | P336-Q338 PolarHBondContact O-N 3.37Š|
| 337 | R | 53.9 | Low | 54.4 | Low | 253 Ų | 253 | 156.7 Ų | 156.7 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 102.9 | 170.7 | -72.9 | 177.7 | 115.5 | -143.3 | 4.2 | 109.4 | | |
| 338 | Q | 51.8 | Low | 52.9 | Low | 153 Ų | 153 | 152.8 Ų | 152.8 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | | | trans | -83.5 | 123.8 | 162.9 | -106.3 | -175.8 | 1 | 0 | 0 | 110.1 | P336 | P336-Q338 PolarHBondContact O-N 3.37Š|
| 339 | R | 46.6 | Very low | 51.7 | Low | 204 Ų | 204 | 153.6 Ų | 153.6 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | 68.7 | 98.7 | 151.8 | -62.1 | 179.7 | 175.3 | 126.1 | -3.5 | 118.1 | | |
| 340 | T | 49.4 | Very low | 50.3 | Low | 136 Ų | 136 | 156.7 Ų | 156.7 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | | -161.3 | 65.5 | 114.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 341 | D | 44.3 | Very low | 49.2 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -112.7 | 80 | 163.2 | -68.8 | -44.8 | 0 | 0 | 0 | 107.7 | | |
| 342 | A | 41.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 163 Ų | 163 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | -144.1 | 25.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 343 | A | 41.2 | Very low | 46.8 | Very low | 97 Ų | 97 | 163.2 Ų | 163.2 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -126.2 | 6.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 344 | L | 47.9 | Very low | 46.2 | Very low | 176 Ų | 176 | 161.4 Ų | 161.4 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -113.8 | 45.6 | 172.8 | -75.7 | 166.7 | 0 | 0 | 0 | 111 | | |
| 345 | E | 39.7 | Very low | 44.9 | Very low | 181 Ų | 181 | 166 Ų | 166 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -153.8 | 71.8 | 172.7 | -155.1 | 178.3 | 177.7 | 0 | 0 | 111.1 | | |
| 346 | R | 38.4 | Very low | 44.2 | Very low | 245 Ų | 245 | 165.5 Ų | 165.5 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | | | trans | -138.9 | 82.9 | 161 | -133.6 | 178.3 | -176.8 | 122.9 | -1 | 110.4 | | |
| 347 | Q | 42.9 | Very low | 43.8 | Very low | 164 Ų | 164 | 164.3 Ų | 164.3 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | | | trans | -46.8 | 128.3 | 161.2 | -71.2 | -78.1 | -17.6 | 0 | 0 | 110.9 | S349 | Q347-S349 VanDerWaalsContact C-N 3.27Å; Q347-S349 PolarHBondContact O-N 3.33Å |
| 348 | P | 43.1 | Very low | 43.7 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -77.7 | 88.5 | 158.7 | 30.8 | -27.4 | 0 | 0 | 0 | 107.9 | R350 | P348-R350 PolarHBondContact O-N 3.14Š|
| 349 | S | 48.1 | Very low | 43.8 | Very low | 101 Ų | 101 | 162.2 Ų | 162.2 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -57.8 | 129.6 | 168.7 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | Q347 R351 | Q347-S349 VanDerWaalsContact C-N 3.27Å; Q347-S349 PolarHBondContact O-N 3.33Å; S349-R351 PolarHBondContact O-N 3.18Å; S349-R351 VanDerWaalsContact O-N 3.08Å |
| 350 | R | 39.1 | Very low | 43.9 | Very low | 246 Ų | 246 | 162.4 Ų | 162.4 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | | | trans | -40.1 | 107.4 | 170.8 | -69 | 173.4 | 170.7 | -170.2 | -3.2 | 111.3 | P348 | P348-R350 PolarHBondContact O-N 3.14Š|
| 351 | R | 41.1 | Very low | 43.8 | Very low | 244 Ų | 244 | 164 Ų | 164 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | | | trans | -109.7 | 98.7 | 158.8 | -84 | -164.3 | 176.9 | -133.6 | 1.3 | 110.8 | S349 A353 | S349-R351 PolarHBondContact O-N 3.18Å; S349-R351 VanDerWaalsContact O-N 3.08Å; R351-A353 PolarHBondContact O-N 3.06Å |
| 352 | R | 33.8 | Very low | 44 | Very low | 236 Ų | 236 | 163.8 Ų | 163.8 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | | | trans | -36.2 | 106.5 | 146.9 | -171 | 179.1 | -163 | -171.7 | 3.7 | 110.8 | | |
| 353 | A | 42 | Very low | 44.5 | Very low | 88 Ų | 88 | 170.2 Ų | 170.2 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | | | trans | -128.7 | 94.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | R351 | R351-A353 PolarHBondContact O-N 3.06Š|
| 354 | Q | 51 | Low | 44.8 | Very low | 163 Ų | 163 | 170.2 Ų | 170.2 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | | | | 50.4 | 95.8 | 95.5 | -64.5 | -164.5 | 9.9 | 0 | 0 | 112.1 | | |
| 355 | Q | 37.8 | Very low | 44.8 | Very low | 197 Ų | 197 | 167.2 Ų | 167.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | 56.4 | 98.5 | 140.1 | -57.4 | -179.4 | 15.4 | 0 | 0 | 117 | | |
| 356 | G | 40.5 | Very low | 45.6 | Very low | 71 Ų | 71 | 163.7 Ų | 163.7 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -177.1 | 85 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P358 | G356-P358 WeakPolarHBondContact O-CD 3.44Š|
| 357 | A | 44.5 | Very low | 45.8 | Very low | 101 Ų | 101 | 160.7 Ų | 160.7 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 131.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 358 | P | 52.3 | Low | 46.2 | Very low | 125 Ų | 125 | 159.1 Ų | 159.1 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 123.7 | 154.3 | 29.5 | -16.6 | 0 | 0 | 0 | 109.4 | G356 | G356-P358 WeakPolarHBondContact O-CD 3.44Š|
| 359 | R | 53.4 | Low | 46.2 | Very low | 238 Ų | 238 | 156.1 Ų | 156.1 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 139.9 | -178.7 | -60.9 | 166.5 | 88.1 | -177.3 | 5.8 | 110.6 | M361 | R359-M361 PolarHBondContact O-N 3.32Å; R359-M361 VanDerWaalsContact O-N 3.14Å |
| 360 | K | 49.1 | Very low | 46.4 | Very low | 208 Ų | 208 | 158 Ų | 158 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -50.3 | 113.9 | 168 | -71.5 | 175.3 | 175.9 | 179.1 | 0 | 109.4 | Q362 | K360-Q362 PolarHBondContact O-N 3.19Š|
| 361 | M | 48.5 | Very low | 46.7 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | | | trans | -91.1 | 88.1 | 169.7 | -161.9 | 157.9 | 64 | 0 | 0 | 108.9 | R359 R363 | R359-M361 PolarHBondContact O-N 3.32Å; R359-M361 VanDerWaalsContact O-N 3.14Å; M361-R363 PolarHBondContact O-N 2.94Å |
| 362 | Q | 48.4 | Very low | 46.4 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | | | trans | -59.7 | 110.4 | 168.1 | -179.7 | 175.9 | -36.7 | 0 | 0 | 109 | K360 S364 | K360-Q362 PolarHBondContact O-N 3.19Å; Q362-S364 PolarHBondContact O-N 3.4Å |
| 363 | R | 51.3 | Low | 46.8 | Very low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -81 | 102.2 | 166.4 | -81.6 | -178.2 | 169.8 | -103.2 | -0.1 | 107.9 | M361 S365 | M361-R363 PolarHBondContact O-N 2.94Å; R363-S365 PolarHBondContact O-N 3.36Å |
| 364 | S | 48.3 | Very low | 46.9 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | -62.7 | 123.2 | 174 | -64 | 0 | 0 | 0 | 0 | 111.2 | Q362 | Q362-S364 PolarHBondContact O-N 3.4Š|
| 365 | S | 48.5 | Very low | 46.5 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -71.6 | 115.8 | 156.8 | 151.3 | 0 | 0 | 0 | 0 | 108 | R363 | R363-S365 PolarHBondContact O-N 3.36Š|
| 366 | S | 55.3 | Low | 47.1 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -104.5 | 96.1 | 166 | 56.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 367 | H | 43.2 | Very low | 47.1 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -76 | 111.9 | 161.9 | -146.7 | 65.3 | 0 | 0 | 0 | 106.4 | | |
| 368 | V | 52.1 | Low | 47 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -109 | 115 | 166.7 | 172.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 369 | G | 42.2 | Very low | 47.3 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | -75.8 | 154 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 370 | V | 52.5 | Low | 47.1 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -136.5 | 136.3 | 156.7 | 177.8 | 0 | 0 | 0 | 0 | 105.8 | | |
| 371 | P | 45 | Very low | 47.4 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -87.2 | 163.5 | -152.3 | 34.2 | -34.8 | 0 | 0 | 0 | 114.5 | | |
| 372 | A | 34.4 | Very low | 47.5 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 135.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 373 | A | 42.6 | Very low | 47.7 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -152.6 | 112.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 374 | A | 43.3 | Very low | 47.3 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 60.8 | 129.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 375 | A | 43.4 | Very low | 47 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | trans | 92.2 | 111.2 | 136.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 376 | Y | 49.7 | Very low | 47.1 | Very low | 240 Ų | 240 | 125.8 Ų | 125.8 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | | | trans | 65.8 | 114.9 | 156.9 | -67.5 | -81 | 0 | 0 | 0 | 118.8 | | |
| 377 | G | 40.5 | Very low | 46.6 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -73.4 | 134.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 378 | Y | 43.7 | Very low | 47.1 | Very low | 232 Ų | 232 | 131.9 Ų | 131.9 | 91% | 0.91 | 79% | 0.793 | S | S | * | * | | | trans | -169.3 | 115.8 | 144.2 | -96.4 | -77.2 | 0 | 0 | 0 | 107.2 | | |
| 379 | P | 58.2 | Low | 46.9 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -99.4 | 109.8 | 164.1 | 30.7 | -23.1 | 0 | 0 | 0 | 110.2 | | |
| 380 | A | 48.6 | Very low | 46.9 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -59.9 | 131.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 381 | Q | 56.5 | Low | 46.8 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 64% | 0.64 | 80% | 0.801 | S | S | * | * | | | trans | -82.2 | 132.4 | 175.6 | -75 | -99.2 | -35.8 | 0 | 0 | 110.8 | W383 | Q381-W383 VanDerWaalsContact C-N 3.28Å; Q381-W383 PolarHBondContact O-N 3.41Å |
| 382 | P | 48.8 | Very low | 46.9 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 9.7 | -175.6 | -10.1 | 26.6 | 0 | 0 | 0 | 116.2 | | |
| 383 | W | 53.9 | Low | 47.5 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 10.3 | -172.6 | -33.7 | -55.4 | 0 | 0 | 0 | 114.6 | Q381 G385 | Q381-W383 VanDerWaalsContact C-N 3.28Å; Q381-W383 PolarHBondContact O-N 3.41Å; W383-G385 PolarHBondContact O-N 3.49Å; W383-G385 VanDerWaalsContact O-N 3.15Å |
| 384 | A | 42 | Very low | 47.9 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -88.2 | 79.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 385 | G | 41.9 | Very low | 48 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | -170.2 | 89.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W383 | W383-G385 PolarHBondContact O-N 3.49Å; W383-G385 VanDerWaalsContact O-N 3.15Å |
| 386 | V | 52.3 | Low | 48.5 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 170.8 | 96.9 | 140.7 | 161.5 | 0 | 0 | 0 | 0 | 105.8 | L388 | V386-L388 HydrophobicContact CG1-CB 4.44Å; V386-L388 HydrophobicContact CG1-CD1 3.96Å; V386-L388 HydrophobicContact CG1-CG 4.3Å |
| 387 | R | 43.6 | Very low | 48.3 | Very low | 253 Ų | 253 | 137.2 Ų | 137.2 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | | | trans | -73.1 | 120 | 161.5 | -75.1 | -171.9 | 162.4 | -148.7 | -3.1 | 106.8 | | |
| 388 | L | 54 | Low | 48.9 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -140.3 | 142.8 | 162.9 | -96.2 | 164.1 | 0 | 0 | 0 | 110 | V386 | V386-L388 HydrophobicContact CG1-CB 4.44Å; V386-L388 HydrophobicContact CG1-CD1 3.96Å; V386-L388 HydrophobicContact CG1-CG 4.3Å |
| 389 | D | 48.3 | Very low | 48.8 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -71.9 | 148.2 | -148.4 | -143.1 | -19.8 | 0 | 0 | 0 | 114.1 | | |
| 390 | R | 40.8 | Very low | 48.5 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -102.1 | 97.7 | -179.6 | -161.6 | 179.2 | -166.4 | 168.1 | 1 | 106.8 | | |
| 391 | S | 50.3 | Low | 48.2 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -122.1 | 114.6 | 168.5 | -72.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 392 | S | 47.2 | Very low | 47.8 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -56.7 | 137.2 | 167.7 | 43.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 393 | A | 48.3 | Very low | 47.5 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -154.4 | 122.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 394 | S | 51 | Low | 47.1 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -60.2 | 135.3 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 395 | L | 46.2 | Very low | 47.2 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | | 44.7 | 103.9 | 96.5 | -147.7 | 102.5 | 0 | 0 | 0 | 113.8 | | |
| 396 | V | 53.1 | Low | 47.6 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | | 169.5 | 137.8 | 125.5 | 155.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 397 | G | 46.4 | Very low | 47.3 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -66.9 | 145.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 398 | S | 51.9 | Low | 47.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -144 | 113.7 | 152.1 | 60.2 | 0 | 0 | 0 | 0 | 107.1 | C400 | S398-C400 PolarHBondContact O-N 2.93Š|
| 399 | E | 42.1 | Very low | 47 | Very low | 204 Ų | 204 | 128.7 Ų | 128.7 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | | | trans | -58.5 | 119.3 | 168.8 | -63.3 | 165.5 | 127.7 | 0 | 0 | 108.5 | | |
| 400 | C | 51.1 | Low | 46.9 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 72% | 0.723 | 81% | 0.808 | S | S | * | * | | | trans | -149.7 | 100.6 | 162.9 | -170 | 0 | 0 | 0 | 0 | 108.6 | S398 S402 | S398-C400 PolarHBondContact O-N 2.93Å; C400-S402 PolarHBondContact O-N 3.42Å |
| 401 | G | 43.3 | Very low | 47.4 | Very low | 79 Ų | 79 | 120.7 Ų | 120.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | -66 | 123.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 402 | S | 46.8 | Very low | 47.2 | Very low | 102 Ų | 102 | 122 Ų | 122 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -144.1 | 102.5 | 161.9 | -84.8 | 0 | 0 | 0 | 0 | 109.2 | C400 S404 | C400-S402 PolarHBondContact O-N 3.42Å; S402-S404 PolarHBondContact O-N 3.31Å |
| 403 | T | 43.5 | Very low | 47.1 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | | | trans | -71.8 | 103.2 | 167 | 44.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 404 | S | 44.9 | Very low | 46.9 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -133.2 | 86.2 | 164.3 | 75.5 | 0 | 0 | 0 | 0 | 111 | S402 | S402-S404 PolarHBondContact O-N 3.31Š|
| 405 | S | 44.9 | Very low | 46.6 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -81 | 102.4 | 152.2 | 58.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 406 | V | 49.5 | Very low | 46.6 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -117 | 118.7 | 162 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | T408 | V406-T408 PolarHBondContact O-N 3.44Š|
| 407 | L | 47.1 | Very low | 46.2 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -68.1 | 122.5 | 177.5 | -68.8 | 163 | 0 | 0 | 0 | 109.2 | A409 | L407-A409 PolarHBondContact O-N 3.3Š|
| 408 | T | 48.7 | Very low | 46.4 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -68.8 | 105.4 | 162.3 | -48.9 | 0 | 0 | 0 | 0 | 108.5 | V406 | V406-T408 PolarHBondContact O-N 3.44Š|
| 409 | A | 41.4 | Very low | 46.4 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -122.3 | 87 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | L407 | L407-A409 PolarHBondContact O-N 3.3Š|
| 410 | A | 46.1 | Very low | 46.6 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -160.5 | 101.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 411 | T | 50.9 | Low | 46.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | 178.3 | 130.8 | 144.5 | 26.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 412 | V | 47.3 | Very low | 46.8 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | 73.6 | 101.4 | 170.2 | -153.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 413 | G | 44.1 | Very low | 47.1 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | | | | 95.2 | 126.2 | 52.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 414 | Y | 43.5 | Very low | 47.6 | Very low | 216 Ų | 216 | 136 Ų | 136 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | 105 | 95.8 | 173.6 | -68.1 | -90.6 | 0 | 0 | 0 | 119 | | |
| 415 | C | 45.7 | Very low | 48 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | | | | 64.2 | 104.3 | 127 | -57.2 | 0 | 0 | 0 | 0 | 120 | | |
| 416 | R | 46.4 | Very low | 48.4 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | | -174.1 | 110.9 | 110.9 | -108.7 | 172.5 | 148.2 | 179.1 | -7.8 | 111.9 | | |
| 417 | S | 43.6 | Very low | 48.9 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | trans | -72.7 | 134 | 160.3 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 418 | L | 51.1 | Low | 49.4 | Very low | 163 Ų | 163 | 150 Ų | 150 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -131.4 | 82.5 | 160.9 | -90.8 | 166.3 | 0 | 0 | 0 | 107.3 | | |
| 419 | V | 51.6 | Low | 49.4 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | trans | -51.6 | 135.4 | 140.8 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 420 | G | 47.6 | Very low | 49.8 | Very low | 62 Ų | 62 | 153.3 Ų | 153.3 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | | | cis | 137.3 | 129.2 | 35.1 | 0 | 0 | 0 | 0 | 0 | 103.5 | | |
| 421 | F | 46.6 | Very low | 50 | Low | 207 Ų | 207 | 157.4 Ų | 157.4 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -59.4 | 134.3 | -177.4 | -89.1 | -110.4 | 0 | 0 | 0 | 111.4 | | |
| 422 | E | 51 | Low | 50 | Low | 168 Ų | 168 | 158.4 Ų | 158.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -153.3 | 117.2 | 145 | -149 | 148.7 | -161.1 | 0 | 0 | 111.1 | | |
| 423 | V | 54.2 | Low | 50.1 | Low | 128 Ų | 128 | 159.7 Ų | 159.7 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -88.9 | 113.4 | 175 | 168.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 424 | H | 53.5 | Low | 50.5 | Low | 160 Ų | 160 | 166.1 Ų | 166.1 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | | | trans | -106.8 | 110.2 | 165.2 | -84.3 | 61.6 | 0 | 0 | 0 | 108.6 | | |
| 425 | R | 52.5 | Low | 51 | Low | 248 Ų | 248 | 162.6 Ų | 162.6 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | | | trans | -153.1 | 91.5 | 157.3 | -141.9 | -176.4 | -169.8 | -164.5 | 1.5 | 110.3 | | |
| 426 | G | 54.7 | Low | 51.4 | Low | 61 Ų | 61 | 166.8 Ų | 166.8 | 63% | 0.629 | 83% | 0.828 | S | S | * | * | | | trans | -138.1 | 118.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 427 | H | 59.5 | Low | 51.8 | Low | 199 Ų | 199 | 160.8 Ų | 160.8 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -176.1 | 88.7 | 155.2 | -94.4 | -62.2 | 0 | 0 | 0 | 106.5 | | |
| 428 | Y | 56.3 | Low | 52.6 | Low | 306 Ų | 306 | 166.1 Ų | 166.1 | 100% | 1.2 | 83% | 0.831 | S | S | * | * | | | trans | -97.4 | 0 | 136.6 | -95.3 | -82.9 | 0 | 0 | 0 | 107.1 | | |