| 1 | M | 36.3 | Very low | 42.5 | Very low | 245 Ų | 245 | 149.5 Ų | 149.5 | 100% | 1.207 | 83% | 0.827 | S | S | * | * | | | | 0 | 154 | 0 | -70.6 | 150.5 | 73.7 | 0 | 0 | 108.2 | | |
| 2 | N | 46.3 | Very low | 42.9 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | | | trans | -96.3 | 146.2 | -175.3 | -168.6 | -1.4 | 0 | 0 | 0 | 110.6 | Q4 | N2-Q4 PolarHBondContact OD1-N 3.22Š|
| 3 | P | 42.3 | Very low | 44 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -130.6 | 100.7 | 144.8 | 33.5 | -19 | 0 | 0 | 0 | 112.9 | | |
| 4 | Q | 40.6 | Very low | 45 | Very low | 134 Ų | 134 | 145.8 Ų | 145.8 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | trans | -29.1 | 142.1 | 160.9 | -73.6 | 147.7 | -80.6 | 0 | 0 | 119.5 | N2 | N2-Q4 PolarHBondContact OD1-N 3.22Š|
| 5 | Q | 46.2 | Very low | 45.7 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | | 63 | 103.3 | 129.3 | -60.4 | 167.8 | -45 | 0 | 0 | 120.4 | | |
| 6 | R | 39 | Very low | 46.5 | Very low | 241 Ų | 241 | 144 Ų | 144 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | | -165.6 | 121.4 | 104.7 | -122.7 | 174.2 | -70.3 | -170.5 | -1.3 | 113.5 | | |
| 7 | I | 39.4 | Very low | 47.2 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | | | trans | -134.6 | 131.7 | 153.7 | -62.3 | -179 | 0 | 0 | 0 | 106.1 | | |
| 8 | A | 43.1 | Very low | 47.9 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -124.1 | 137.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 9 | A | 49.1 | Very low | 48.6 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | | | trans | -82.4 | 154.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 10 | L | 40.5 | Very low | 49.3 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 75% | 0.746 | S | S | * | * | | | trans | -171 | 112.9 | 159.7 | -108.4 | 165 | 0 | 0 | 0 | 111.6 | | |
| 11 | G | 44.2 | Very low | 49.7 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 74.7 | 153 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 12 | T | 47.8 | Very low | 51 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | | | cis | -145.5 | 130.1 | -13.1 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | K14 | T12-K14 PolarHBondContact O-N 2.94Š|
| 13 | D | 56.6 | Low | 51.6 | Low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 42.2 | -171.2 | -165.4 | 26.2 | 0 | 0 | 0 | 114.5 | S17 | D13-S17 PolarHBondContact O-OG 3.39Š|
| 14 | K | 58.3 | Low | 52.3 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -37.3 | -173.2 | -164.7 | 174.1 | -179.9 | -174.4 | 0 | 114 | T12 L16 S17 | T12-K14 PolarHBondContact O-N 2.94Å; K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 2.95Å; K14-S17 VanDerWaalsContact O-CB 3.24Å; K14-S17 WeakPolarHBondContact O-CB 3.44Å; K14-S17 PolarHBondContact O-N 3.36Å; K14-S17 PolarHBondContact O-OG 3.43Å |
| 15 | E | 55.9 | Low | 53.2 | Low | 152 Ų | 152 | 126.8 Ų | 126.8 | 71% | 0.71 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.8 | -25.9 | -179.3 | -63.8 | 172.6 | 172 | 0 | 0 | 112 | S17 L19 | E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 PolarHBondContact O-N 3.19Å; E15-L19 PolarHBondContact O-N 2.74Å |
| 16 | L | 57.7 | Low | 53.8 | Low | 111 Ų | 111 | 127 Ų | 127 | 58% | 0.581 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.9 | -18.4 | 171.2 | -60.8 | 179.3 | 0 | 0 | 0 | 113.4 | K14 L20 | K14-L16 VanDerWaalsContact C-N 3.27Å; K14-L16 PolarHBondContact O-N 2.95Å; L16-L20 WeakPolarHBondContact O-CD1 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å |
| 17 | S | 58.3 | Low | 54.6 | Low | 64 Ų | 64 | 121.1 Ų | 121.1 | 45% | 0.448 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -74.5 | -50.4 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | D13 K14 E15 L19 L20 D21 | D13-S17 PolarHBondContact O-OG 3.39Å; K14-S17 VanDerWaalsContact O-CB 3.24Å; K14-S17 WeakPolarHBondContact O-CB 3.44Å; K14-S17 PolarHBondContact O-N 3.36Å; K14-S17 PolarHBondContact O-OG 3.43Å; E15-S17 VanDerWaalsContact C-N 3.27Å; E15-S17 PolarHBondContact O-N 3.19Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.77Å; S17-L20 PolarHBondContact O-N 2.9Å; S17-D21 PolarHBondContact O-N 3.15Å |
| 18 | D | 60.2 | Low | 55.3 | Low | 123 Ų | 123 | 117.8 Ų | 117.8 | 66% | 0.658 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.5 | -29.7 | -176.5 | -63.1 | -13.4 | 0 | 0 | 0 | 111.6 | L20 D21 | D18-L20 PolarHBondContact O-N 3.09Å; D18-D21 PolarHBondContact O-N 2.97Å |
| 19 | L | 61.1 | Low | 55.4 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -10.2 | 171.5 | -83.4 | 167.6 | 0 | 0 | 0 | 114.7 | E15 S17 | E15-L19 PolarHBondContact O-N 2.74Å; S17-L19 VanDerWaalsContact C-N 3.29Å; S17-L19 PolarHBondContact O-N 2.77Å |
| 20 | L | 63.2 | Low | 55.5 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -2.7 | 179.9 | -66.2 | 175 | 0 | 0 | 0 | 113.5 | L16 S17 D18 F22 | L16-L20 WeakPolarHBondContact O-CD1 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; S17-L20 PolarHBondContact O-N 2.9Å; D18-L20 PolarHBondContact O-N 3.09Å; L20-F22 WeakPolarHBondContact O-CD2 3.39Å; L20-F22 PolarHBondContact O-N 2.97Å |
| 21 | D | 58.7 | Low | 55.5 | Low | 98 Ų | 98 | 117 Ų | 117 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | | | trans | -86.3 | 87.6 | 178.1 | -170.3 | 14.4 | 0 | 0 | 0 | 112.9 | S17 D18 S23 | S17-D21 PolarHBondContact O-N 3.15Å; D18-D21 PolarHBondContact O-N 2.97Å; D21-S23 PolarHBondContact O-N 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 3.45Å |
| 22 | F | 62.6 | Low | 55.1 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -72.8 | -1.5 | 174.5 | -70.1 | -89.2 | 0 | 0 | 0 | 114.2 | L20 A24 M25 | L20-F22 WeakPolarHBondContact O-CD2 3.39Å; L20-F22 PolarHBondContact O-N 2.97Å; F22-A24 PolarHBondContact O-N 3.38Å; F22-A24 VanDerWaalsContact O-N 3.15Å; F22-M25 HydrophobicContact CD1-CE 3.55Å; F22-M25 HydrophobicContact CE1-CE 3.92Å; F22-M25 PolarHBondContact O-N 3.11Å; F22-M25 VanDerWaalsContact O-N 3.08Å |
| 23 | S | 58 | Low | 54.7 | Low | 87 Ų | 87 | 115 Ų | 115 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -62.5 | -24.6 | -173.6 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | D21 M25 | D21-S23 PolarHBondContact O-N 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.47Å; D21-S23 PolarHBondContact OD1-N 3.19Å; D21-S23 PolarHBondContact OD1-OG 3.45Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 3.07Å |
| 24 | A | 57.5 | Low | 53.8 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 79% | 0.793 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -73.2 | -19.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F22 | F22-A24 PolarHBondContact O-N 3.38Å; F22-A24 VanDerWaalsContact O-N 3.15Å |
| 25 | M | 59.5 | Low | 53.1 | Low | 132 Ų | 132 | 119.3 Ų | 119.3 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -14.1 | -177.3 | -67.7 | -159.7 | -67.8 | 0 | 0 | 114.4 | F22 S23 | F22-M25 HydrophobicContact CD1-CE 3.55Å; F22-M25 HydrophobicContact CE1-CE 3.92Å; F22-M25 PolarHBondContact O-N 3.11Å; F22-M25 VanDerWaalsContact O-N 3.08Å; S23-M25 VanDerWaalsContact C-N 3.33Å; S23-M25 PolarHBondContact O-N 3.07Å |
| 26 | F | 59.5 | Low | 52.1 | Low | 164 Ų | 164 | 123.6 Ų | 123.6 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | | | trans | -136.4 | 92.3 | -179.1 | -68.8 | -80.1 | 0 | 0 | 0 | 112 | P28 | F26-P28 VanDerWaalsContact O-CD 3.31Å; F26-P28 WeakPolarHBondContact O-CD 3.43Å |
| 27 | S | 55.4 | Low | 51.7 | Low | 118 Ų | 118 | 123 Ų | 123 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 117.7 | 169.8 | -60 | 0 | 0 | 0 | 0 | 110.9 | | |
| 28 | P | 54.3 | Low | 50.4 | Low | 103 Ų | 103 | 126 Ų | 126 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 149.8 | 175.9 | 28.8 | -34.4 | 0 | 0 | 0 | 110.8 | F26 V30 | F26-P28 VanDerWaalsContact O-CD 3.31Å; F26-P28 WeakPolarHBondContact O-CD 3.43Å; P28-V30 PolarHBondContact O-N 3.14Å |
| 29 | P | 46.2 | Very low | 49 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.2 | 178.5 | 25.9 | -33.8 | 0 | 0 | 0 | 110.8 | G31 | P29-G31 PolarHBondContact O-N 3.48Š|
| 30 | V | 50.1 | Low | 47.6 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | | | trans | -74.6 | 83.9 | -171 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | P28 G32 | P28-V30 PolarHBondContact O-N 3.14Å; V30-G32 PolarHBondContact O-N 3.34Å |
| 31 | G | 41.7 | Very low | 46 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | | | trans | -71.6 | 50.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P29 G33 | P29-G31 PolarHBondContact O-N 3.48Å; G31-G33 PolarHBondContact O-N 2.96Å |
| 32 | G | 34.8 | Very low | 44.6 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | | | trans | -74.2 | 43.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V30 | V30-G32 PolarHBondContact O-N 3.34Š|
| 33 | G | 40.3 | Very low | 43 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | -109.6 | 95 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G31 | G31-G33 PolarHBondContact O-N 2.96Š|
| 34 | K | 37.7 | Very low | 41.7 | Very low | 212 Ų | 212 | 127.1 Ų | 127.1 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | | | trans | -137.3 | 104 | 161 | -75.3 | -168.3 | 178.7 | 174.8 | 0 | 112.6 | | |
| 35 | N | 42.6 | Very low | 40.4 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -90.1 | 137 | 172.1 | 50.6 | -17.3 | 0 | 0 | 0 | 111.7 | | |
| 36 | R | 35.4 | Very low | 39 | Very low | 243 Ų | 243 | 129.5 Ų | 129.5 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | | | trans | -149.3 | 154.3 | 148.3 | -113.8 | -141.6 | 163.7 | -162.2 | -3.9 | 111.7 | | |
| 37 | P | 48 | Very low | 37.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -108.7 | -162.5 | -164.2 | 43.5 | -37.4 | 0 | 0 | 0 | 113.2 | | |
| 38 | T | 32.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 140.2 | 168.5 | 42.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 39 | T | 29.9 | Very low | 35.8 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | | | cis | -166.9 | 160.6 | -13.8 | -161.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 40 | L | 31.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | 57.7 | 169.9 | 166 | -61.1 | 172.2 | 0 | 0 | 0 | 117.4 | | |
| 41 | G | 29.9 | Very low | 34.6 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 133.8 | 88.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 42 | S | 29.2 | Very low | 34.2 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -77.6 | 155.7 | 171.9 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 43 | S | 28.5 | Very low | 34.3 | Very low | 81 Ų | 81 | 136 Ų | 136 | 57% | 0.566 | 77% | 0.773 | S | S | * | * | | | trans | 68.4 | 105.4 | 140.4 | 179 | 0 | 0 | 0 | 0 | 121.7 | | |
| 44 | Q | 31.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 67.8 | 159.8 | 130.4 | -57.6 | -172.4 | -82.3 | 0 | 0 | 122.1 | | |
| 45 | F | 29.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 74.5 | 145.7 | 169 | -59.8 | -85.3 | 0 | 0 | 0 | 118.2 | | |
| 46 | S | 30.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | cis | 167.3 | 164.2 | -39.7 | -97.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 47 | A | 34.5 | Very low | 32.3 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | 71.6 | 150.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 48 | S | 34.6 | Very low | 31.3 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | cis | -166.3 | 169.8 | -19.5 | 48.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 49 | G | 32.6 | Very low | 31.1 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | cis | -155.9 | -158.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 50 | M | 34.6 | Very low | 31.4 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | | | cis | -142.8 | 142.9 | 7.2 | -70 | 151.4 | 58 | 0 | 0 | 109.5 | | |
| 51 | D | 36.6 | Very low | 31.5 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | 20.4 | 152.2 | 134.6 | -48.7 | -83.7 | 0 | 0 | 0 | 120.7 | | |
| 52 | E | 33 | Very low | 31.5 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -160.8 | 129 | 34.5 | -167.6 | 163.9 | -165.8 | 0 | 0 | 115.3 | | |
| 53 | R | 36.6 | Very low | 31.5 | Very low | 209 Ų | 209 | 127 Ų | 127 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | | | trans | 51.3 | 155 | 154.2 | -57 | 173.9 | -146.1 | -109.8 | -0.6 | 119.8 | | |
| 54 | T | 29 | Very low | 31.5 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | cis | -164.8 | 139.8 | 40.8 | -49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 55 | N | 27.6 | Very low | 31.5 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | | | trans | 51.4 | 119.6 | 157 | -68.9 | -13.4 | 0 | 0 | 0 | 121.5 | | |
| 56 | Q | 28.4 | Very low | 31.6 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | 76.2 | 155.8 | 94 | -68.1 | -171.4 | 13.5 | 0 | 0 | 116.5 | | |
| 57 | A | 28.4 | Very low | 32.1 | Very low | 76 Ų | 76 | 128.4 Ų | 128.4 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | | | cis | -174.3 | 134.7 | -33.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 58 | S | 27.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | 65.8 | -176.4 | 157.3 | -152.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 59 | W | 29.3 | Very low | 31.6 | Very low | 230 Ų | 230 | 132.4 Ų | 132.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | | | trans | 78.6 | 109.1 | 174.6 | -54.7 | 97.8 | 0 | 0 | 0 | 118.5 | | |
| 60 | A | 34.8 | Very low | 31.3 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -84.2 | 156 | 136.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 61 | P | 35.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | | -128.3 | -175.4 | 61.2 | 36 | -20.5 | 0 | 0 | 0 | 113.3 | | |
| 62 | G | 30.1 | Very low | 31.4 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -116.9 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 63 | G | 28.8 | Very low | 31.4 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | trans | 165.9 | 140.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 64 | E | 28.7 | Very low | 31 | Very low | 201 Ų | 201 | 127 Ų | 127 | 94% | 0.939 | 75% | 0.753 | S | S | * | * | | | trans | 66.7 | 142.2 | 159.4 | -62 | 160.4 | -120.9 | 0 | 0 | 117 | | |
| 65 | S | 29.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | cis | -151.1 | 163.8 | 5.7 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 66 | S | 33.1 | Very low | 31.4 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -91.5 | 171.6 | 173.7 | -45.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 67 | P | 40.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | | -126 | 165.4 | 80.4 | 5 | 18.7 | 0 | 0 | 0 | 113.6 | | |
| 68 | S | 28.2 | Very low | 31.2 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | cis | 76.2 | 151.9 | 40.6 | -127.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 69 | Y | 30.4 | Very low | 32 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | cis | -165.5 | 147 | 9.2 | -167.8 | -119.9 | 0 | 0 | 0 | 107.4 | | |
| 70 | E | 27.5 | Very low | 32.2 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 56% | 0.556 | 77% | 0.767 | S | S | * | * | | | cis | -152.5 | -157.3 | -13.6 | -154.8 | -135 | -112.8 | 0 | 0 | 107.7 | S72 | E70-S72 VanDerWaalsContact OE2-CB 3.23Å; E70-S72 WeakPolarHBondContact OE2-CB 3.42Å; E70-S72 PolarHBondContact OE2-N 2.96Å; E70-S72 PolarHBondContact OE2-OG 2.97Å |
| 71 | S | 36.1 | Very low | 31.9 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -158.9 | 111.8 | 161 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 72 | S | 35.7 | Very low | 31.8 | Very low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 77% | 0.772 | S | S | . | * | | | trans | -156.1 | 133.2 | -179.6 | -82.6 | 0 | 0 | 0 | 0 | 113.7 | E70 | E70-S72 VanDerWaalsContact OE2-CB 3.23Å; E70-S72 WeakPolarHBondContact OE2-CB 3.42Å; E70-S72 PolarHBondContact OE2-N 2.96Å; E70-S72 PolarHBondContact OE2-OG 2.97Å |
| 73 | R | 33.4 | Very low | 31.6 | Very low | 247 Ų | 247 | 135.4 Ų | 135.4 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | | | trans | 45.8 | 141.8 | 138.5 | -49.7 | 170.9 | -168 | -112.7 | -0.5 | 119.5 | | |
| 74 | G | 29.4 | Very low | 32.1 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | | | cis | 143.2 | 158.7 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 75 | F | 30.3 | Very low | 32.4 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | trans | 78.9 | 134 | 172.8 | -73.9 | -89.1 | 0 | 0 | 0 | 121.2 | | |
| 76 | A | 33 | Very low | 32.5 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | trans | 41.8 | 133.4 | 144 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 77 | D | 25.9 | Very low | 32.4 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | | | | -158.4 | -175.1 | 59.8 | -106.9 | -33.8 | 0 | 0 | 0 | 113.7 | | |
| 78 | S | 28.3 | Very low | 31.8 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | -123.8 | 152.7 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 79 | P | 42.8 | Very low | 32 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -138 | -172.9 | 123.9 | 37.1 | -24 | 0 | 0 | 0 | 114.9 | | |
| 80 | H | 34.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | -86.6 | 177.1 | -167 | -86.6 | 0.4 | 0 | 0 | 0 | 117.3 | | |
| 81 | Y | 28.3 | Very low | 33.1 | Very low | 233 Ų | 233 | 143.1 Ų | 143.1 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | 77.5 | 125.5 | 178.4 | -66.8 | -92.5 | 0 | 0 | 0 | 115.1 | | |
| 82 | G | 32.3 | Very low | 33 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | cis | 121.3 | 111.4 | -14.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 83 | D | 26 | Very low | 33 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -158.7 | 162.4 | 159.3 | -146.3 | -18.7 | 0 | 0 | 0 | 111.5 | | |
| 84 | H | 40.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -101 | 129.2 | 176.5 | -91.1 | -122 | 0 | 0 | 0 | 111.5 | | |
| 85 | M | 34.4 | Very low | 33.2 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -148.7 | 121.8 | 148 | -64.5 | -61.8 | 156.2 | 0 | 0 | 106.9 | | |
| 86 | S | 32.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | 93.2 | 131 | 39.3 | -61.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 87 | D | 29.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | 59.5 | 126.3 | -178.3 | -69.2 | -26.4 | 0 | 0 | 0 | 118.2 | | |
| 88 | S | 29.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | cis | 79.7 | 102.9 | 24.2 | -159.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 89 | R | 31.4 | Very low | 34.9 | Very low | 234 Ų | 234 | 143.1 Ų | 143.1 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -156.2 | 144.4 | 155.5 | -65.2 | -167.2 | -176 | 179 | 2.6 | 109.5 | | |
| 90 | L | 34.9 | Very low | 35.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | cis | -157.6 | 152.8 | -19.2 | -115.9 | 177.1 | 0 | 0 | 0 | 107.8 | | |
| 91 | V | 46.4 | Very low | 35 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -117.6 | 151 | 167.6 | 170.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | S | 33.1 | Very low | 35.2 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | | | trans | -162.4 | 134.4 | -179.2 | -71.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 93 | H | 36.5 | Very low | 35 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | cis | -156.5 | 144.6 | -9.2 | -113.6 | -83.6 | 0 | 0 | 0 | 108.4 | | |
| 94 | E | 35.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | 42.1 | 168.3 | 142.1 | -82.4 | 169.5 | 130.7 | 0 | 0 | 122.8 | | |
| 95 | E | 32.6 | Very low | 35 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | cis | -149.6 | 155.9 | 16.9 | -142.5 | -174.9 | 167.2 | 0 | 0 | 108.5 | | |
| 96 | L | 32.9 | Very low | 35.8 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | | | | -175.9 | 168.7 | 77 | -79.6 | 173.3 | 0 | 0 | 0 | 111.4 | | |
| 97 | S | 28 | Very low | 36 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | | | trans | -127 | -166.5 | 178.4 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 98 | P | 49.8 | Very low | 36.1 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | | | cis | -132.5 | -154.2 | -6.5 | 40.2 | -19.4 | 0 | 0 | 0 | 114 | | |
| 99 | T | 42.3 | Very low | 36.2 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | trans | -117 | 169.2 | 178.9 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 100 | P | 49.3 | Very low | 36.3 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | | | | -154.1 | 147.3 | 107.6 | 38.4 | -20.2 | 0 | 0 | 0 | 119 | | |
| 101 | F | 29.5 | Very low | 36.1 | Very low | 184 Ų | 184 | 131.9 Ų | 131.9 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | | | trans | 43.6 | 140.6 | 139.4 | -80.2 | -78.7 | 0 | 0 | 0 | 126.9 | | |
| 102 | M | 31.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | | | trans | 94 | 119.1 | 137.8 | -83.1 | -180 | -157.7 | 0 | 0 | 123.8 | | |
| 103 | N | 29.5 | Very low | 35.2 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | | 92.9 | 171.6 | 129.8 | -78.1 | -25.1 | 0 | 0 | 0 | 122.3 | | |
| 104 | S | 35.3 | Very low | 34.8 | Very low | 41 Ų | 41 | 133.6 Ų | 133.6 | 29% | 0.287 | 73% | 0.728 | S | S | . | * | B | Isolated β-bridge | trans | -169.3 | 130.4 | -134.8 | -72.3 | 0 | 0 | 0 | 0 | 110.4 | P359 | S104-P359 WeakPolarHBondContact OG-CB 2.83Å |
| 105 | N | 30.6 | Very low | 34.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | 173.6 | 165.5 | 135 | -99.3 | -47.1 | 0 | 0 | 0 | 115.4 | | |
| 106 | I | 51 | Low | 34.4 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | trans | -107.3 | 140.4 | -178.9 | -76.8 | 167.3 | 0 | 0 | 0 | 112.1 | P359 | I106-P359 HydrophobicContact CG1-CG 4.23Š|
| 107 | I | 36.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | trans | -161.9 | 148.5 | 157.5 | -161.4 | 69.4 | 0 | 0 | 0 | 109.3 | | |
| 108 | G | 33.1 | Very low | 34.2 | Very low | 55 Ų | 55 | 139.3 Ų | 139.3 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | | | cis | 146.3 | 143.7 | -16 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 109 | K | 32 | Very low | 33.1 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | | | trans | 77.2 | 152.2 | 178.2 | -55.7 | 176.3 | -178.8 | 175.7 | 0 | 116.6 | | |
| 110 | T | 32.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | cis | -171.6 | 164.5 | -22.8 | -87.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 111 | E | 30.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | 99.3 | 141.1 | 170.5 | -57.8 | -136.7 | 110.4 | 0 | 0 | 117.9 | | |
| 112 | R | 32 | Very low | 32.3 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | cis | -165.8 | 117.3 | -20.3 | 175.6 | -166.5 | -70.4 | -155.5 | 3.7 | 111.8 | | |
| 113 | A | 29.3 | Very low | 32.1 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | trans | 57.1 | 165.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 114 | S | 28.1 | Very low | 32.2 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | cis | -139.8 | 165.9 | 7 | -91.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 115 | F | 29.6 | Very low | 31.9 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -93.8 | 157.9 | -178.7 | -74 | -107.1 | 0 | 0 | 0 | 114.5 | | |
| 116 | L | 28.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | | | | -180 | 161.3 | 119.3 | -114.5 | 74.7 | 0 | 0 | 0 | 109 | | |
| 117 | G | 28.1 | Very low | 30.8 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | 178.4 | 152.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 118 | Y | 29.7 | Very low | 30.5 | Very low | 250 Ų | 250 | 137.2 Ų | 137.2 | 98% | 0.98 | 80% | 0.799 | S | S | * | * | | | trans | -61.5 | 156.4 | -173.9 | -69 | -98.8 | 0 | 0 | 0 | 116.4 | | |
| 119 | G | 27.2 | Very low | 30.3 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -154.6 | 138.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 120 | R | 30.6 | Very low | 30.2 | Very low | 247 Ų | 247 | 134.1 Ų | 134.1 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | -97.7 | 158.7 | -172.3 | -59.3 | 167.7 | 155.6 | -120.3 | 4.5 | 113.9 | | |
| 121 | D | 33.5 | Very low | 30.3 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | -53.5 | 150.9 | 145.9 | -114.4 | -63.5 | 0 | 0 | 0 | 111.6 | | |
| 122 | P | 39.4 | Very low | 30.4 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -155.3 | 152.1 | 68.4 | 39.4 | -18.6 | 0 | 0 | 0 | 119.8 | | |
| 123 | G | 27.5 | Very low | 31.2 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | 84.3 | 175.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 124 | A | 32.3 | Very low | 31.1 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | cis | -172.3 | 150.8 | -20.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 125 | S | 28.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | 68.8 | 149.8 | 167.6 | -157.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 126 | G | 30.2 | Very low | 31 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 159.3 | 70.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 127 | C | 28.7 | Very low | 31.2 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | -103.1 | 151.3 | -167.2 | -58.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 128 | Q | 29.3 | Very low | 31.4 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 67.9 | 160.2 | 159.1 | -61.6 | -67.6 | -8.7 | 0 | 0 | 116 | | |
| 129 | A | 28.7 | Very low | 31.4 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | | | cis | -153.9 | 164.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 130 | S | 29.4 | Very low | 32.3 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 8.6 | 139.5 | 146.4 | -166.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 131 | L | 34.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 118.8 Ų | 118.8 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | | -163.9 | 152.6 | 120 | -105.4 | 169.6 | 0 | 0 | 0 | 112.6 | | |
| 132 | R | 33.7 | Very low | 32.1 | Very low | 173 Ų | 173 | 117.3 Ų | 117.3 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | trans | -134.3 | 147.7 | 171.9 | -162 | -137 | 171.2 | -157.5 | -12.6 | 109.2 | D134 | R132-D134 VanDerWaalsContact CZ-CG 3.44Å; R132-D134 IonicContact CZ-OD1 3.13Å; R132-D134 IonicContact CZ-OD2 3.51Å; R132-D134 IonicContact NH1-OD1 2.77Å; R132-D134 PolarHBondContact NH1-OD1 2.81Å; R132-D134 IonicContact NH1-OD2 2.74Å; R132-D134 PolarHBondContact NH1-OD2 3.15Å; R132-D134 IonicContact NH2-OD1 2.86Å; R132-D134 PolarHBondContact NH2-OD1 3.1Å |
| 133 | P | 47.2 | Very low | 32 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | | -135.2 | 170.1 | 121.6 | 39.9 | -28.2 | 0 | 0 | 0 | 110.3 | | |
| 134 | D | 28.4 | Very low | 32.4 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | cis | 67.3 | 133.6 | 40.1 | -70.9 | -38.2 | 0 | 0 | 0 | 114.2 | R132 | R132-D134 VanDerWaalsContact CZ-CG 3.44Å; R132-D134 IonicContact CZ-OD1 3.13Å; R132-D134 IonicContact CZ-OD2 3.51Å; R132-D134 IonicContact NH1-OD1 2.77Å; R132-D134 PolarHBondContact NH1-OD1 2.81Å; R132-D134 IonicContact NH1-OD2 2.74Å; R132-D134 PolarHBondContact NH1-OD2 3.15Å; R132-D134 IonicContact NH2-OD1 2.86Å; R132-D134 PolarHBondContact NH2-OD1 3.1Å |
| 135 | A | 29.7 | Very low | 32.4 | Very low | 83 Ų | 83 | 121.7 Ų | 121.7 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | cis | -162.7 | 159.6 | -12.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 136 | A | 25.9 | Very low | 32.5 | Very low | 85 Ų | 85 | 121.1 Ų | 121.1 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | 69.7 | 157.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 137 | L | 32.9 | Very low | 32.7 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | 70.3 | 135.8 | 167.7 | -42.9 | -177.4 | 0 | 0 | 0 | 115.2 | | |
| 138 | T | 31.9 | Very low | 33 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | cis | -146.1 | 169.2 | 21.1 | 49 | 0 | 0 | 0 | 0 | 113 | | |
| 139 | S | 30.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -119 | 155.9 | 161.2 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 140 | P | 45.5 | Very low | 33 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | | -138.7 | -178.9 | 124.5 | 37.1 | -24.6 | 0 | 0 | 0 | 114.1 | | |
| 141 | S | 28.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -139.6 | 167.7 | -163 | 59 | 0 | 0 | 0 | 0 | 114.7 | | |
| 142 | S | 31.3 | Very low | 34 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | trans | -162.5 | 123.7 | 157.1 | -76.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 143 | V | 37.6 | Very low | 33.8 | Very low | 132 Ų | 132 | 119 Ų | 119 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | | 67.1 | 137.9 | 68 | -56.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 144 | T | 36.1 | Very low | 33 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | cis | -135.7 | -159.4 | 3.7 | -19.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 145 | T | 32.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | cis | -131.7 | -174 | 15 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 146 | S | 30.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | cis | 84 | 127.7 | 11.5 | -151.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 147 | G | 32.9 | Very low | 33.2 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | cis | 159.2 | 157.3 | -12.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 148 | K | 35.3 | Very low | 33.2 | Very low | 200 Ų | 200 | 125 Ų | 125 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | | | trans | 70.4 | 121.9 | 156.5 | -63 | 177.2 | -178.4 | 176.7 | 0 | 119.6 | | |
| 149 | S | 30.7 | Very low | 33.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | | 85.7 | 151.3 | 82.9 | 87.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 150 | T | 28.4 | Very low | 33 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | | | cis | -156.2 | 172.4 | 31.9 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 151 | A | 29.9 | Very low | 33 | Very low | 86 Ų | 86 | 122.6 Ų | 122.6 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | -96.9 | -166.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 152 | P | 54.7 | Low | 33.1 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | cis | -152.7 | -177.3 | 43.4 | 37.3 | -11.3 | 0 | 0 | 0 | 120.7 | | |
| 153 | F | 30.2 | Very low | 33 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | 108.5 | 117.5 | 151.9 | -69.9 | -55.2 | 0 | 0 | 0 | 122.7 | | |
| 154 | Y | 30.4 | Very low | 32.7 | Very low | 198 Ų | 198 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | 33.7 | 134.7 | 153.7 | -59.3 | -53.9 | 0 | 0 | 0 | 120.7 | | |
| 155 | S | 25.8 | Very low | 32.2 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | | | cis | -166.1 | -177.3 | 6.2 | -99.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 156 | F | 30.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 140 Ų | 140 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | cis | -167.7 | -176.7 | 2 | -118.4 | -163.3 | 0 | 0 | 0 | 104.3 | | |
| 157 | N | 31.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | cis | -171.6 | 164.8 | -33.1 | -103.4 | 9.1 | 0 | 0 | 0 | 105.3 | | |
| 158 | A | 32.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | cis | -170.8 | 151 | -16 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 159 | A | 30 | Very low | 31.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | cis | -160.8 | 173 | -12.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 160 | N | 29.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -79.2 | -165.1 | 159.4 | -125.4 | -75.2 | 0 | 0 | 0 | 108.6 | | |
| 161 | P | 44 | Very low | 33 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 62% | 0.623 | 75% | 0.752 | S | S | * | * | | | cis | -140.6 | 172.9 | -10.8 | 32.9 | -10 | 0 | 0 | 0 | 118.3 | | |
| 162 | R | 31.3 | Very low | 33.1 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | | | trans | 7.6 | 136.8 | 145.3 | -42 | 175 | -153.2 | 107.7 | -1 | 120.9 | | |
| 163 | R | 28.9 | Very low | 32 | Very low | 250 Ų | 250 | 146.6 Ų | 146.6 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | | | | -156.1 | -169.8 | 116.6 | -117.6 | 179.7 | -172.6 | -89.3 | 0.8 | 113.1 | | |
| 164 | R | 31.7 | Very low | 33 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | | | trans | -151.6 | 137.8 | -153.8 | 175.7 | -151.3 | -72.3 | -171.4 | -4 | 111.6 | | |
| 165 | S | 25.4 | Very low | 33.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | trans | 158.3 | -179.4 | 136.3 | 65.6 | 0 | 0 | 0 | 0 | 114 | | |
| 166 | L | 31.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 144 Ų | 144 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | -115 | 146.6 | -164.1 | 171.7 | 84.3 | 0 | 0 | 0 | 111.2 | | |
| 167 | Q | 29.5 | Very low | 33.6 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -169.2 | 142 | 148.9 | -142.4 | 65.4 | 66 | 0 | 0 | 113.7 | | |
| 168 | D | 24 | Very low | 33.9 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 10.1 | 172.7 | 161.6 | -68.1 | -80.9 | 0 | 0 | 0 | 127.6 | | |
| 169 | A | 27.5 | Very low | 34.2 | Very low | 90 Ų | 90 | 151.2 Ų | 151.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | -107 | -157.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 170 | P | 46.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | cis | -132.9 | -128.8 | -3.9 | 35.1 | -9.5 | 0 | 0 | 0 | 113.1 | | |
| 171 | P | 47.5 | Very low | 35 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | | -109.6 | -178.2 | -82.9 | 37.1 | -21.6 | 0 | 0 | 0 | 114.3 | | |
| 172 | I | 33.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 162.5 Ų | 162.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -179.5 | 158.6 | 137.6 | -96.9 | 157.6 | 0 | 0 | 0 | 112 | | |
| 173 | D | 30.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -102.1 | -158 | -169.9 | -147.2 | 16.1 | 0 | 0 | 0 | 112.3 | | |
| 174 | P | 50.9 | Low | 35.5 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | | | trans | -124.4 | -155.2 | -136.4 | 36.7 | -12.4 | 0 | 0 | 0 | 115 | | |
| 175 | L | 33.9 | Very low | 35.7 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | 93.9 | 157.5 | 165.1 | -52.5 | 170.9 | 0 | 0 | 0 | 118.8 | | |
| 176 | Q | 32.4 | Very low | 36.3 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | 71.2 | 142.8 | 168.2 | -41.4 | -54.1 | 7.7 | 0 | 0 | 117.6 | | |
| 177 | T | 34 | Very low | 36.6 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | cis | -154.5 | 164.7 | -17.5 | 20.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 178 | K | 37.9 | Very low | 36.8 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -64.8 | 142.4 | 176.2 | -58.7 | 175.4 | -179.3 | 177.1 | 0 | 113.1 | | |
| 179 | K | 37.3 | Very low | 37.2 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | | | trans | -137.9 | 142.5 | 141 | -80.3 | -165.4 | 176.4 | 175 | 0 | 111.2 | | |
| 180 | V | 37.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | trans | -111.8 | 143.4 | -175.1 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 181 | R | 38.8 | Very low | 37 | Very low | 242 Ų | 242 | 144.4 Ų | 144.4 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -143.6 | 139 | 147.6 | -144.5 | 169.5 | -173.6 | 97.7 | 0.7 | 110.9 | | |
| 182 | K | 39.2 | Very low | 36.1 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -94.5 | 144 | -175.5 | -179.4 | 124.3 | 67.6 | 171.2 | 0 | 110.3 | | |
| 183 | V | 39.8 | Very low | 35.9 | Very low | 125 Ų | 125 | 145 Ų | 145 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | | | trans | -133.6 | 144.8 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 184 | P | 36.8 | Very low | 35.9 | Very low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -75.9 | 166 | -159.6 | 27.9 | -36.3 | 0 | 0 | 0 | 115.9 | | |
| 185 | P | 35.3 | Very low | 34.8 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -82.8 | 154.4 | -172.3 | 34.1 | -36.6 | 0 | 0 | 0 | 113.9 | | |
| 186 | G | 39 | Very low | 35.2 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | 121 | 60.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 187 | L | 37.4 | Very low | 35.1 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | -171.3 | 127.9 | 154.1 | -103.8 | 154.1 | 0 | 0 | 0 | 108.7 | | |
| 188 | P | 34.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -81.8 | 127.4 | -178.4 | 31 | -32.9 | 0 | 0 | 0 | 111.6 | | |
| 189 | S | 31.3 | Very low | 35 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -132.8 | 142.8 | 170.6 | 69 | 0 | 0 | 0 | 0 | 112.2 | | |
| 190 | S | 34.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | 48.8 | 114.8 | 167.7 | -151.9 | 0 | 0 | 0 | 0 | 119.8 | Y192 | S190-Y192 PolarHBondContact O-N 3.36Š|
| 191 | V | 36.4 | Very low | 34.6 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | | -7.4 | 112.8 | 123.6 | -179.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 192 | Y | 28 | Very low | 34.3 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 86% | 0.863 | 79% | 0.785 | S | S | * | * | | | trans | -157.8 | 161.4 | 131.4 | -153.6 | -103.7 | 0 | 0 | 0 | 110.5 | S190 | S190-Y192 PolarHBondContact O-N 3.36Š|
| 193 | A | 30.2 | Very low | 34.1 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 151.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 194 | P | 29.5 | Very low | 33.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 146 | 166.8 | 33.4 | -33.2 | 0 | 0 | 0 | 111.8 | | |
| 195 | S | 27.7 | Very low | 33.4 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 158.7 | 165.3 | -120 | 0 | 0 | 0 | 0 | 109.9 | | |
| 196 | P | 42.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 142.8 | -164 | 33.6 | -35.7 | 0 | 0 | 0 | 114.4 | | |
| 197 | N | 29.2 | Very low | 33 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -174.7 | 167.5 | 131.9 | -112.8 | 8.6 | 0 | 0 | 0 | 113.8 | | |
| 198 | S | 33.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 72.2 | 132.9 | 173.2 | 56 | 0 | 0 | 0 | 0 | 118.2 | | |
| 199 | E | 36.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -86 | 153.2 | -171.4 | -61.8 | 76.5 | -174.3 | 0 | 0 | 113.2 | | |
| 200 | D | 32.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | | -175 | 151.4 | 107.8 | -111.6 | -37 | 0 | 0 | 0 | 115.5 | | |
| 201 | F | 32.4 | Very low | 32.6 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | 40.8 | 95.6 | 164.3 | -74.3 | -87.2 | 0 | 0 | 0 | 123.5 | | |
| 202 | N | 32.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | | | | 63.4 | 102.4 | 107.9 | -167.9 | 19.8 | 0 | 0 | 0 | 121.4 | | |
| 203 | R | 36.2 | Very low | 32.8 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | | | | -175.2 | 134.7 | 105.6 | -96.6 | -168 | 114.3 | 143.7 | 8.6 | 115.9 | | |
| 204 | D | 29.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 60% | 0.599 | 79% | 0.789 | S | S | * | * | | | trans | 46.2 | 82.8 | 141.9 | -55 | -33 | 0 | 0 | 0 | 121.9 | | |
| 205 | S | 31.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | | 170.6 | 149.4 | 120.5 | -76.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 206 | P | 37.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | trans | -96.7 | 132.7 | -167.9 | 35.4 | -33.8 | 0 | 0 | 0 | 115.8 | | |
| 207 | S | 29.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -114 | 114.8 | 166.3 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 208 | Y | 33.5 | Very low | 32.9 | Very low | 232 Ų | 232 | 142.6 Ų | 142.6 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | | | trans | -81 | 124.9 | 175.6 | -97 | -86.6 | 0 | 0 | 0 | 111.6 | | |
| 209 | S | 29.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -107.7 | 126.2 | 170.3 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 210 | T | 31 | Very low | 32.2 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 133.9 | -176.7 | -40.2 | 0 | 0 | 0 | 0 | 112 | | |
| 211 | P | 35.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143.7 | 177.9 | 30 | -35 | 0 | 0 | 0 | 112.8 | | |
| 212 | K | 34.5 | Very low | 32.2 | Very low | 203 Ų | 203 | 138.3 Ų | 138.3 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -85 | 134.3 | 170.3 | -64.8 | 177.6 | 179.8 | 177.2 | 0 | 110.4 | | |
| 213 | P | 33.8 | Very low | 32.2 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 151.7 | 167.8 | 31.6 | -33.6 | 0 | 0 | 0 | 111.5 | | |
| 214 | S | 31.6 | Very low | 32 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 161.5 | 171.8 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 215 | S | 29.9 | Very low | 32.1 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 131.2 | -173.9 | -166.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 216 | S | 31.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 19.4 | 131.5 | 145.9 | -169.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 217 | M | 34.1 | Very low | 32.1 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -142.9 | 140.8 | 136.4 | -79.9 | -151.8 | -71.3 | 0 | 0 | 112.1 | | |
| 218 | F | 33.7 | Very low | 32.4 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | 70.7 | 159 | 175.1 | -55.5 | -69.5 | 0 | 0 | 0 | 117.7 | | |
| 219 | A | 28.9 | Very low | 32.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -148.6 | 158.8 | -151.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 220 | S | 26.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | | -178.5 | 129.5 | 127.9 | -82.3 | 0 | 0 | 0 | 0 | 115 | | |
| 221 | T | 33.2 | Very low | 32.6 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | | | trans | 62.5 | 139 | 138.6 | 62.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 222 | F | 32.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | 93.3 | 129.4 | 155.4 | -61.5 | -66.4 | 0 | 0 | 0 | 121 | | |
| 223 | F | 32.2 | Very low | 33 | Very low | 184 Ų | 184 | 136 Ų | 136 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | 65.4 | 107.5 | 159.3 | -94.5 | -103.8 | 0 | 0 | 0 | 121.9 | | |
| 224 | D | 32.3 | Very low | 32.7 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | | 71.3 | 160.7 | 120.5 | -155.7 | 15.7 | 0 | 0 | 0 | 121 | | |
| 225 | G | 31.7 | Very low | 32.7 | Very low | 52 Ų | 52 | 136.9 Ų | 136.9 | 54% | 0.536 | 78% | 0.783 | S | S | . | * | | | trans | 96 | 71.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 226 | T | 34.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | 22.6 | 124.6 | 147.4 | 55.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 227 | H | 34.8 | Very low | 33 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | | | trans | -88.2 | 150.5 | 175 | -52.7 | -74.1 | 0 | 0 | 0 | 115.1 | | |
| 228 | S | 35.8 | Very low | 33 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -117.1 | 96.2 | 169.9 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 229 | S | 31.8 | Very low | 33 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | 35.7 | 124.5 | 146.7 | -174.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 230 | S | 33 | Very low | 33.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -150 | 139.8 | 141.7 | -76.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 231 | D | 32.3 | Very low | 33.6 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | trans | -108.6 | 131.1 | -160.8 | -159.8 | 6.5 | 0 | 0 | 0 | 111.6 | | |
| 232 | P | 39.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | trans | -95.4 | 12.2 | -165.1 | 37 | -37.8 | 0 | 0 | 0 | 116.4 | N234 | P232-N234 PolarHBondContact O-N 2.99Š|
| 233 | W | 38.8 | Very low | 34.4 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -88.3 | 91.5 | -167.1 | -70.8 | 96.4 | 0 | 0 | 0 | 115.6 | | |
| 234 | N | 28.3 | Very low | 34.4 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -152.2 | 103.8 | 144.9 | -173 | 8.4 | 0 | 0 | 0 | 113 | P232 | P232-N234 PolarHBondContact O-N 2.99Š|
| 235 | S | 31 | Very low | 34.5 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -169.5 | 135.7 | 149.1 | -82.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 236 | S | 34.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | -109.6 | 148.4 | 177.5 | 176 | 0 | 0 | 0 | 0 | 111.4 | | |
| 237 | S | 35.3 | Very low | 34.5 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | 57.2 | 120.8 | 152.7 | 47.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 238 | G | 33.1 | Very low | 34.6 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | trans | 152.5 | 105 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 239 | I | 34.3 | Very low | 34.5 | Very low | 174 Ų | 174 | 134 Ų | 134 | 89% | 0.892 | 83% | 0.825 | S | S | * | * | | | trans | -145.5 | 128.2 | 169.9 | -161.5 | 168.5 | 0 | 0 | 0 | 111.3 | | |
| 240 | S | 35.6 | Very low | 34.5 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | -155.2 | 155.3 | 171 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 241 | Q | 32.3 | Very low | 34.5 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | | | trans | -91.2 | 155.6 | -162.5 | -68.9 | -85.2 | -7.1 | 0 | 0 | 113.6 | | |
| 242 | P | 48.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | trans | -74.1 | 167.5 | 158.9 | 35.2 | -35.3 | 0 | 0 | 0 | 111 | | |
| 243 | G | 34.3 | Very low | 33.9 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | | | trans | -160.2 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 244 | Y | 32.2 | Very low | 33.5 | Very low | 248 Ų | 248 | 130.6 Ų | 130.6 | 97% | 0.973 | 84% | 0.839 | S | S | * | * | | | trans | -156.3 | 165.8 | 164.7 | -103.1 | -79.2 | 0 | 0 | 0 | 107.3 | | |
| 245 | G | 33.7 | Very low | 33.8 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | | | trans | -169.2 | -173 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 246 | G | 32.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | 118.1 | 116.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 247 | M | 33.4 | Very low | 33.6 | Very low | 197 Ų | 197 | 133.3 Ų | 133.3 | 97% | 0.97 | 84% | 0.838 | S | S | * | * | | | trans | 179.3 | 167.6 | 132 | -94 | -172.3 | 90.5 | 0 | 0 | 109.8 | | |
| 248 | L | 36.8 | Very low | 33.4 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | | | trans | -116.9 | 120.1 | -158.2 | -67.2 | 163.2 | 0 | 0 | 0 | 114.3 | | |
| 249 | A | 34.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | -175.2 | 150.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 250 | G | 30.7 | Very low | 33 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | cis | 168.8 | 101.6 | -6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 251 | S | 33.8 | Very low | 32.6 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | | | trans | -76.8 | 135.6 | -168.6 | -50.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 252 | S | 27.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | -151 | 132.1 | 163.4 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 253 | S | 31.6 | Very low | 31.3 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -155.9 | 111.9 | 168.5 | 53 | 0 | 0 | 0 | 0 | 110.6 | | |
| 254 | H | 30.9 | Very low | 31.3 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | | | trans | -153.8 | 154.8 | 166.1 | -160.7 | -89.5 | 0 | 0 | 0 | 110.5 | | |
| 255 | M | 35 | Very low | 31.4 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 83% | 0.833 | 81% | 0.812 | S | S | * | * | | | trans | -91.5 | -179.9 | -179.9 | -53.8 | -164 | 80.4 | 0 | 0 | 110.2 | | |
| 256 | A | 31.8 | Very low | 31.1 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | | | cis | -172.2 | -179.9 | 33 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 257 | Q | 29.3 | Very low | 31.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | trans | 73.3 | 150.2 | 162.8 | -50.7 | -152.5 | 16.9 | 0 | 0 | 117.1 | | |
| 258 | T | 31.1 | Very low | 31.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | cis | -129.2 | 177.4 | -10.1 | 46.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 259 | G | 27.1 | Very low | 30.9 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | cis | -175.3 | -176.5 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 260 | N | 30.1 | Very low | 31.1 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | trans | -127 | 143.7 | -165.8 | -119.4 | 85.5 | 0 | 0 | 0 | 115.2 | | |
| 261 | Y | 27.8 | Very low | 31 | Very low | 210 Ų | 210 | 142 Ų | 142 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | 59.9 | 126.8 | 166.3 | -57.5 | -63.8 | 0 | 0 | 0 | 120.1 | | |
| 262 | S | 27.1 | Very low | 30.8 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | 159.8 | 152.4 | 113.8 | -71.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 263 | S | 26.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | 64 | 101 | 154.7 | -159.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 264 | L | 33.4 | Very low | 31.3 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 71% | 0.712 | 77% | 0.766 | S | S | * | * | | | | 19.9 | 124.9 | 122.5 | -61.8 | 165.7 | 0 | 0 | 0 | 120.6 | | |
| 265 | H | 35.6 | Very low | 31.6 | Very low | 167 Ų | 167 | 142 Ų | 142 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | 52.3 | 121 | 145.3 | -53.5 | 125.6 | 0 | 0 | 0 | 122 | | |
| 266 | S | 27.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | | | | -173.2 | 165.4 | 105.3 | -79 | 0 | 0 | 0 | 0 | 112.4 | | |
| 267 | H | 36.6 | Very low | 31.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -88 | 156.6 | -171.4 | -59.6 | -96.8 | 0 | 0 | 0 | 114.4 | | |
| 268 | D | 28.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | | -154.1 | 138.5 | 121.5 | -129.5 | -22.6 | 0 | 0 | 0 | 115.6 | | |
| 269 | R | 33.3 | Very low | 32.7 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | 39.4 | 110.1 | 156.5 | -73.1 | 152.2 | -157.2 | -77.2 | -7.8 | 125.8 | | |
| 270 | L | 39.6 | Very low | 32.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 57 | 118.2 | 116.1 | -63.9 | 170.8 | 0 | 0 | 0 | 122.1 | | |
| 271 | N | 26.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | | -164.2 | 151.4 | 108.7 | -151.3 | -5 | 0 | 0 | 0 | 113.6 | | |
| 272 | Y | 30.9 | Very low | 33.6 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 64.2 | 155.6 | 171.9 | -76.7 | -67.8 | 0 | 0 | 0 | 117.9 | | |
| 273 | P | 39.8 | Very low | 34.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | | -129.4 | -176.7 | -125.8 | 33.6 | -11.3 | 0 | 0 | 0 | 117.8 | | |
| 274 | A | 30 | Very low | 34.7 | Very low | 70 Ų | 70 | 137 Ų | 137 | 58% | 0.579 | 76% | 0.76 | S | S | * | * | | | trans | -67.1 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 275 | H | 36.3 | Very low | 35.5 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | cis | -146.7 | 137.1 | 37.5 | -64.2 | -91 | 0 | 0 | 0 | 112 | | |
| 276 | S | 33.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | | 69.2 | 130.7 | 81.1 | -39.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 277 | V | 31.7 | Very low | 36.7 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | cis | -145.1 | 169 | 15 | -70.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 278 | S | 32.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -123.7 | -169.8 | 161.6 | -135 | 0 | 0 | 0 | 0 | 107.6 | | |
| 279 | P | 51.5 | Low | 36.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -131.2 | -149.6 | 16.6 | 36.6 | -10.2 | 0 | 0 | 0 | 111.7 | | |
| 280 | D | 31.6 | Very low | 36.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | cis | -162.5 | 173.1 | 8.9 | -141.2 | -28.6 | 0 | 0 | 0 | 114.4 | | |
| 281 | I | 37.9 | Very low | 36.3 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 67% | 0.672 | 77% | 0.769 | S | S | * | * | | | trans | 25.7 | 150.4 | 164.8 | 30.7 | 63.1 | 0 | 0 | 0 | 126.3 | | |
| 282 | N | 34.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 90.3 | 108.1 | 156 | -66.7 | -26.8 | 0 | 0 | 0 | 119.4 | | |
| 283 | A | 41.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -82.3 | 125.5 | 160 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 284 | S | 35.7 | Very low | 36.4 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -154.6 | 136.3 | 162.3 | -164.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 285 | L | 50.3 | Low | 36.5 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 127.1 | -178.1 | -66.2 | 172.8 | 0 | 0 | 0 | 110.6 | | |
| 286 | P | 41 | Very low | 36.2 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76 | 150.3 | 160.5 | 32.2 | -32 | 0 | 0 | 0 | 110.6 | | |
| 287 | P | 46.5 | Very low | 36.2 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 161.7 | -168.8 | 33.5 | -37.2 | 0 | 0 | 0 | 114.5 | | |
| 288 | M | 34.4 | Very low | 36.2 | Very low | 191 Ų | 191 | 134 Ų | 134 | 94% | 0.941 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76 | 147.2 | 167.3 | -68.1 | 177.5 | 62.4 | 0 | 0 | 112 | | |
| 289 | S | 30.9 | Very low | 36.3 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -153.1 | 147.9 | 154.5 | -163.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 290 | S | 30.4 | Very low | 36.2 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | trans | -44 | 140.9 | -179.2 | -88 | 0 | 0 | 0 | 0 | 118.7 | | |
| 291 | F | 34.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | | 31.3 | 144.6 | 116.7 | -54.7 | -49 | 0 | 0 | 0 | 120.8 | | |
| 292 | H | 37.7 | Very low | 36 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | cis | -165.4 | 157.6 | 7.1 | -112.3 | -30.6 | 0 | 0 | 0 | 111.9 | | |
| 293 | R | 32.4 | Very low | 35.7 | Very low | 225 Ų | 225 | 136.4 Ų | 136.4 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | 45.9 | 119.2 | 149.2 | -67.2 | 177.3 | 170.9 | -104.4 | 1.4 | 121.9 | | |
| 294 | S | 28.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | | -165.9 | -173 | 114.6 | 56.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 295 | N | 31.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -131.3 | 167.9 | -157.2 | -167.4 | 25.4 | 0 | 0 | 0 | 114.5 | | |
| 296 | T | 31.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 64% | 0.644 | 77% | 0.771 | S | S | * | * | | | trans | 88.1 | 90.7 | 155.3 | -44.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 297 | S | 32.7 | Very low | 33.2 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | | 78.1 | 147.8 | 129.2 | -57.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 298 | T | 33.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | 74.7 | 92.5 | 147.3 | 37.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 299 | S | 34.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | 70.9 | 145.4 | 135.9 | 50.3 | 0 | 0 | 0 | 0 | 121.4 | | |
| 300 | P | 49.5 | Very low | 32.2 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | trans | -110.1 | 149.6 | -173.4 | 39.8 | -31.3 | 0 | 0 | 0 | 114.9 | | |
| 301 | F | 32 | Very low | 32.3 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | | | trans | -160.2 | 120 | 152.8 | -107.2 | -76.7 | 0 | 0 | 0 | 113.6 | | |
| 302 | V | 32.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | 48.8 | 102.9 | 138.5 | 177.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 303 | T | 29.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | | 63.9 | 115 | 116.8 | -45.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 304 | A | 28 | Very low | 32.1 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | 66.9 | 159.3 | 143 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 305 | A | 28.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | cis | -173.9 | 174.3 | -30.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 306 | H | 29.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 79% | 0.787 | 77% | 0.768 | S | S | * | * | | | trans | 92.4 | 134.1 | 153.6 | -54.3 | -64 | 0 | 0 | 0 | 123 | | |
| 307 | T | 30.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 126 Ų | 126 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | 80.4 | 160.2 | 148.9 | 48.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 308 | S | 29.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | -155.1 | 162.8 | -151.5 | 50.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 309 | S | 28.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | -169.9 | 177.5 | 174.7 | 53 | 0 | 0 | 0 | 0 | 111.6 | | |
| 310 | V | 31.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | | -166.4 | 147.9 | -64.9 | 122.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 311 | N | 32.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | 64.3 | 158.9 | 173.1 | -69.7 | -1.4 | 0 | 0 | 0 | 116.7 | | |
| 312 | S | 30.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | cis | -173.7 | 174.2 | -9.4 | -94.3 | 0 | 0 | 0 | 0 | 108 | | |
| 313 | V | 35 | Very low | 32.2 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | cis | -156.4 | -179.3 | 2 | -111.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 314 | D | 35.4 | Very low | 32.7 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -70.3 | 175.6 | -178 | -54.3 | -91.1 | 0 | 0 | 0 | 118.6 | | |
| 315 | G | 33.5 | Very low | 33 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -167.4 | -15.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 316 | V | 32.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 82% | 0.815 | S | S | * | * | | | trans | 45.5 | 110.3 | 160.1 | -179.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 317 | M | 37.5 | Very low | 33.6 | Very low | 169 Ų | 169 | 129 Ų | 129 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | | | trans | 60.9 | 164.8 | 140.3 | -67.1 | -160.8 | -67.3 | 0 | 0 | 125.6 | | |
| 318 | V | 34.8 | Very low | 34.6 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | trans | 86.1 | 143.2 | 162.9 | -171.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 319 | A | 36.5 | Very low | 35.2 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | | | cis | -169.9 | 160.6 | -39.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 320 | A | 34.3 | Very low | 36.4 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | 63.5 | 119.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 321 | N | 35.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 129 Ų | 129 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | 27.8 | 124.1 | 137.7 | -61.1 | 5.4 | 0 | 0 | 0 | 122.1 | | |
| 322 | R | 33.5 | Very low | 38.4 | Very low | 257 Ų | 257 | 124.4 Ų | 124.4 | 97% | 0.97 | 78% | 0.784 | S | S | * | * | | | | 178.7 | 145.1 | 105 | -96.8 | 172.4 | -174.8 | -134.2 | 1.1 | 111.6 | | |
| 323 | G | 30.8 | Very low | 39.7 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 154 | 103.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 324 | T | 40.8 | Very low | 40.8 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -118.2 | 125.5 | 173.7 | 48.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 325 | T | 32.9 | Very low | 41.9 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | -177 | 129.1 | 137.4 | 27.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 326 | T | 36.1 | Very low | 43.6 | Very low | 149 Ų | 149 | 118 Ų | 118 | 91% | 0.914 | 74% | 0.737 | S | S | * | * | | | trans | 16.3 | 103.7 | 142 | -38.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 327 | G | 34.1 | Very low | 45.1 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | trans | -148.4 | 128.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S329 | G327-S329 PolarHBondContact O-N 3.01Š|
| 328 | S | 51.9 | Low | 46 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | | | trans | -68.4 | 128.3 | -175.7 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 329 | S | 42.2 | Very low | 47 | Very low | 90 Ų | 90 | 112.6 Ų | 112.6 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | | | trans | -145 | 117.2 | 171.3 | -80.2 | 0 | 0 | 0 | 0 | 110.4 | G327 T331 G332 | G327-S329 PolarHBondContact O-N 3.01Å; S329-T331 PolarHBondContact O-N 3.45Å; S329-G332 PolarHBondContact O-N 3.43Å |
| 330 | Q | 53.1 | Low | 47.7 | Very low | 186 Ų | 186 | 111.4 Ų | 111.4 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 14.7 | -176.8 | -164.4 | 176.7 | -18.6 | 0 | 0 | 114.6 | | |
| 331 | T | 51.6 | Low | 48.6 | Very low | 97 Ų | 97 | 111.6 Ų | 111.6 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -27.9 | -175.2 | -39.9 | 0 | 0 | 0 | 0 | 112.1 | S329 A334 L335 | S329-T331 PolarHBondContact O-N 3.45Å; T331-A334 PolarHBondContact O-N 2.79Å; T331-L335 PolarHBondContact O-N 2.8Å; T331-L335 VanDerWaalsContact O-N 3.12Å |
| 332 | G | 55 | Low | 49.5 | Very low | 50 Ų | 50 | 110 Ų | 110 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -63.4 | -51.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | S329 A334 L335 G336 | S329-G332 PolarHBondContact O-N 3.43Å; G332-A334 VanDerWaalsContact C-N 3.28Å; G332-A334 PolarHBondContact O-N 3.21Å; G332-L335 PolarHBondContact O-N 3.47Å; G332-G336 PolarHBondContact O-N 3.42Å |
| 333 | D | 57.3 | Low | 50.2 | Low | 129 Ų | 129 | 107.3 Ų | 107.3 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.9 | -32.6 | -179.7 | -57.3 | -42.1 | 0 | 0 | 0 | 112.5 | K337 | D333-K337 WeakPolarHBondContact O-CB 3.45Å; D333-K337 WeakPolarHBondContact O-CG 3.36Å; D333-K337 PolarHBondContact O-N 2.98Å |
| 334 | A | 57.4 | Low | 50.6 | Low | 60 Ų | 60 | 108.1 Ų | 108.1 | 50% | 0.496 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.7 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T331 G332 A338 | T331-A334 PolarHBondContact O-N 2.79Å; G332-A334 VanDerWaalsContact C-N 3.28Å; G332-A334 PolarHBondContact O-N 3.21Å; A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.43Å |
| 335 | L | 59.9 | Low | 50.8 | Low | 102 Ų | 102 | 106.9 Ų | 106.9 | 53% | 0.534 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.9 | -39.2 | 178.6 | -147.4 | 163.3 | 0 | 0 | 0 | 111.2 | T331 G332 A338 L339 | T331-L335 PolarHBondContact O-N 2.8Å; T331-L335 VanDerWaalsContact O-N 3.12Å; G332-L335 PolarHBondContact O-N 3.47Å; L335-A338 PolarHBondContact O-N 2.82Å; L335-L339 HydrophobicContact CD2-CD1 3.6Å; L335-L339 HydrophobicContact CD2-CG 3.96Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 3.35Å |
| 336 | G | 68.4 | Low | 51.2 | Low | 43 Ų | 43 | 107.8 Ų | 107.8 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -60.2 | -44.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G332 L339 A340 | G332-G336 PolarHBondContact O-N 3.42Å; G336-L339 PolarHBondContact O-N 3.3Å; G336-A340 PolarHBondContact O-N 2.86Å; G336-A340 VanDerWaalsContact O-N 3.07Å |
| 337 | K | 63.6 | Low | 51.4 | Low | 157 Ų | 157 | 110 Ų | 110 | 68% | 0.683 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 173.9 | -73.9 | -177.5 | 177.7 | -172.3 | 0 | 112.5 | D333 L339 A340 S341 | D333-K337 WeakPolarHBondContact O-CB 3.45Å; D333-K337 WeakPolarHBondContact O-CG 3.36Å; D333-K337 PolarHBondContact O-N 2.98Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 3.47Å; K337-A340 WeakPolarHBondContact O-CB 3.48Å; K337-A340 PolarHBondContact O-N 2.94Å; K337-S341 PolarHBondContact O-N 2.75Å; K337-S341 PolarHBondContact O-OG 2.85Å |
| 338 | A | 56 | Low | 51.7 | Low | 57 Ų | 57 | 114 Ų | 114 | 47% | 0.471 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -61.8 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A334 L335 S341 I342 | A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.49Å; A334-A338 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 2.82Å; A338-S341 PolarHBondContact O-N 3.41Å; A338-I342 WeakPolarHBondContact O-CG1 3.41Å |
| 339 | L | 56.8 | Low | 51 | Low | 107 Ų | 107 | 113.3 Ų | 113.3 | 56% | 0.56 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.7 | -35.7 | 174.4 | -72.8 | 171.5 | 0 | 0 | 0 | 112.6 | L335 G336 K337 I342 | L335-L339 HydrophobicContact CD2-CD1 3.6Å; L335-L339 HydrophobicContact CD2-CG 3.96Å; L335-L339 WeakPolarHBondContact O-CG 3.45Å; L335-L339 PolarHBondContact O-N 3.35Å; G336-L339 PolarHBondContact O-N 3.3Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 3.47Å; L339-I342 HydrophobicContact CD2-CD1 4.06Å; L339-I342 PolarHBondContact O-N 3.48Å |
| 340 | A | 51.8 | Low | 50.8 | Low | 62 Ų | 62 | 114.8 Ų | 114.8 | 51% | 0.512 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | G336 K337 I342 Y343 | G336-A340 PolarHBondContact O-N 2.86Å; G336-A340 VanDerWaalsContact O-N 3.07Å; K337-A340 WeakPolarHBondContact O-CB 3.48Å; K337-A340 PolarHBondContact O-N 2.94Å; A340-I342 PolarHBondContact O-N 3.22Å; A340-I342 VanDerWaalsContact O-N 3.11Å; A340-Y343 CarbonylContact O-C 3.55Å; A340-Y343 PolarHBondContact O-N 3.27Å |
| 341 | S | 52.6 | Low | 50.1 | Low | 97 Ų | 97 | 110 Ų | 110 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -6.2 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 115.5 | K337 A338 | K337-S341 PolarHBondContact O-N 2.75Å; K337-S341 PolarHBondContact O-OG 2.85Å; A338-S341 PolarHBondContact O-N 3.41Å |
| 342 | I | 53.7 | Low | 49.5 | Very low | 121 Ų | 121 | 114.4 Ų | 114.4 | 62% | 0.621 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -10.3 | 171.8 | -29.4 | -177.4 | 0 | 0 | 0 | 111.6 | A338 L339 A340 | A338-I342 WeakPolarHBondContact O-CG1 3.41Å; L339-I342 HydrophobicContact CD2-CD1 4.06Å; L339-I342 PolarHBondContact O-N 3.48Å; A340-I342 PolarHBondContact O-N 3.22Å; A340-I342 VanDerWaalsContact O-N 3.11Å |
| 343 | Y | 48.3 | Very low | 48.8 | Very low | 200 Ų | 200 | 118.1 Ų | 118.1 | 78% | 0.784 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -131.9 | 97.1 | 176.3 | -86.3 | -87.2 | 0 | 0 | 0 | 111.7 | A340 | A340-Y343 CarbonylContact O-C 3.55Å; A340-Y343 PolarHBondContact O-N 3.27Å |
| 344 | S | 38.8 | Very low | 47.8 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 86.7 | 159.8 | 171 | -27.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 345 | P | 46.3 | Very low | 46.7 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | | | | -126.2 | 161.2 | -103.3 | 19.7 | 4.3 | 0 | 0 | 0 | 116.4 | | |
| 346 | D | 39.8 | Very low | 45.9 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | 41.7 | 99 | 160.1 | -69.8 | -47.5 | 0 | 0 | 0 | 120.5 | | |
| 347 | H | 41.1 | Very low | 44.3 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | | | trans | -143.7 | 149.7 | 150.4 | -76.5 | -51.8 | 0 | 0 | 0 | 111.9 | | |
| 348 | T | 39.9 | Very low | 43.3 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | | | trans | -115.1 | 170.2 | 178.4 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 349 | S | 37.8 | Very low | 42.7 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -95.8 | 149.8 | -157.1 | 56.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 350 | S | 37.7 | Very low | 41.7 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | | | trans | -166 | 149.1 | 141.2 | -164.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 351 | S | 37.9 | Very low | 40.8 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | | | trans | 173.6 | 148.4 | 174.3 | -80.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 352 | F | 39.3 | Very low | 40.1 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | cis | -156.1 | -173.3 | -3.9 | -71 | -55.4 | 0 | 0 | 0 | 106.3 | | |
| 353 | P | 40.7 | Very low | 39.2 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | cis | -121.3 | -151.2 | -35.8 | 29 | -6.6 | 0 | 0 | 0 | 111 | | |
| 354 | S | 35.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -136.8 | 146.7 | -157 | -42.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 355 | N | 35.6 | Very low | 38.9 | Very low | 155 Ų | 155 | 120.5 Ų | 120.5 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | trans | 66.9 | 174.2 | 146.5 | -125.9 | 2.6 | 0 | 0 | 0 | 119.1 | | |
| 356 | P | 43.7 | Very low | 38.2 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | cis | -149.2 | 161.8 | 46.6 | 42.5 | -20.8 | 0 | 0 | 0 | 122.2 | | |
| 357 | S | 33.3 | Very low | 37.7 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 85.4 | 162.1 | 141.7 | -67.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 358 | T | 42.1 | Very low | 37.2 | Very low | 96 Ų | 96 | 116.4 Ų | 116.4 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | B | Isolated β-bridge | trans | -131.6 | 171.9 | -160.9 | 75.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 359 | P | 44.9 | Very low | 36.7 | Very low | 48 Ų | 48 | 115.4 Ų | 115.4 | 31% | 0.312 | 74% | 0.741 | S | S | . | * | | | | -167.5 | 152.2 | 92.8 | 42.6 | -20.3 | 0 | 0 | 0 | 123.6 | S104 I106 | S104-P359 WeakPolarHBondContact OG-CB 2.83Å; I106-P359 HydrophobicContact CG1-CG 4.23Å |
| 360 | V | 35.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 114.8 Ų | 114.8 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | | | trans | 14.7 | 132.8 | 131.8 | -170.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 361 | G | 31.8 | Very low | 36 | Very low | 59 Ų | 59 | 112.3 Ų | 112.3 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | | 130.5 | 74 | 114.4 | 0 | 0 | 0 | 0 | 0 | 127.3 | | |
| 362 | S | 37.7 | Very low | 35.7 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | trans | 66.6 | 166 | 150.3 | 84.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 363 | P | 35.2 | Very low | 35.4 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | cis | -139.3 | -166 | 39.1 | 43.6 | -23.1 | 0 | 0 | 0 | 117.1 | | |
| 364 | S | 39.2 | Very low | 35 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -109.4 | 163.6 | -179.2 | -46.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 365 | P | 41.4 | Very low | 34.9 | Very low | 119 Ų | 119 | 106.5 Ų | 106.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | | -136 | 152.6 | 118 | 21.2 | -1.2 | 0 | 0 | 0 | 112.2 | | |
| 366 | L | 31.1 | Very low | 34.7 | Very low | 160 Ų | 160 | 102.5 Ų | 102.5 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | cis | 95.9 | 106.8 | 39.3 | -72.6 | -179.1 | 0 | 0 | 0 | 116.4 | | |
| 367 | T | 30 | Very low | 34.1 | Very low | 120 Ų | 120 | 103.4 Ų | 103.4 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 78.4 | 112 | 134.2 | -50.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 368 | A | 29.9 | Very low | 34 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | | -174.8 | 127.3 | 127 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 369 | T | 29.8 | Very low | 33.6 | Very low | 130 Ų | 130 | 105.8 Ų | 105.8 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | | 71.1 | 119.6 | 57.9 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 370 | A | 32 | Very low | 32.9 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | cis | -154.8 | 175.9 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 371 | G | 28.5 | Very low | 32.8 | Very low | 67 Ų | 67 | 107.3 Ų | 107.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | cis | 156.4 | 177.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 372 | A | 32.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 109.8 Ų | 109.8 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | trans | 66.3 | 144.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 373 | A | 31.6 | Very low | 32.5 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | cis | -160.6 | 157.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 374 | A | 33.4 | Very low | 32.7 | Very low | 101 Ų | 101 | 108.5 Ų | 108.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 60.6 | 162.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 375 | A | 32.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | cis | -169.5 | 149.7 | -35.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 376 | G | 31.5 | Very low | 33 | Very low | 70 Ų | 70 | 109.6 Ų | 109.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 85.1 | 143.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 377 | T | 31 | Very low | 33 | Very low | 131 Ų | 131 | 106.8 Ų | 106.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | cis | 103 | 130.2 | 18.3 | -60.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 378 | V | 32.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 111 Ų | 111 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | 70.7 | 118.8 | 167.7 | -68.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 379 | V | 33.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | | 72 | 110 | 122.3 | -179.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 380 | S | 30.4 | Very low | 34.4 | Very low | 109 Ų | 109 | 109 Ų | 109 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | | 42.3 | 141 | 127.9 | -45.9 | 0 | 0 | 0 | 0 | 124.9 | | |
| 381 | A | 32.9 | Very low | 34.6 | Very low | 97 Ų | 97 | 107.8 Ų | 107.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 92.2 | 115 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 382 | A | 33.5 | Very low | 34.8 | Very low | 110 Ų | 110 | 111.2 Ų | 111.2 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | 45.6 | 120.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 383 | G | 30.6 | Very low | 34.6 | Very low | 78 Ų | 78 | 114 Ų | 114 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 173 | 87.6 | 163 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 384 | T | 39.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -95.7 | 143.3 | 151.7 | 53.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 385 | P | 47.9 | Very low | 35.6 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | -143.6 | 177.4 | 80.6 | 37.5 | -19.5 | 0 | 0 | 0 | 115.3 | | |
| 386 | S | 38.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -89.9 | 144.4 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 113 | | |
| 387 | A | 31.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -161 | 146 | 143 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 388 | R | 40.8 | Very low | 36 | Very low | 210 Ų | 210 | 130.6 Ų | 130.6 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -98.6 | 167.9 | 172.4 | -175 | -175.7 | 168.7 | -162.3 | -1.8 | 109.3 | G390 | R388-G390 PolarHBondContact NH2-O 2.87Š|
| 389 | P | 45.9 | Very low | 36 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | | -144.5 | 151 | 125.4 | 35.6 | -21.4 | 0 | 0 | 0 | 117.1 | | |
| 390 | G | 32.2 | Very low | 36.5 | Very low | 48 Ų | 48 | 131.7 Ų | 131.7 | 50% | 0.495 | 81% | 0.808 | S | S | . | * | | | trans | 107 | 149.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | R388 | R388-G390 PolarHBondContact NH2-O 2.87Š|
| 391 | A | 36.1 | Very low | 36.6 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | | | cis | -164.9 | 155.1 | -26.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 392 | N | 32.7 | Very low | 37.1 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | | | trans | 69 | 150.6 | 162.1 | -55.9 | -39.3 | 0 | 0 | 0 | 118.7 | | |
| 393 | Q | 28.4 | Very low | 37.2 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | cis | -158.6 | -176.1 | -27.3 | -118.7 | 174.5 | 73.3 | 0 | 0 | 109.9 | | |
| 394 | W | 26.8 | Very low | 37.5 | Very low | 241 Ų | 241 | 135.5 Ų | 135.5 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -95.9 | -159.9 | -162.6 | -63 | 81.5 | 0 | 0 | 0 | 116.1 | | |
| 395 | P | 58.1 | Low | 37.9 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | | -136 | 151.9 | -101 | 41.8 | -22.9 | 0 | 0 | 0 | 117 | | |
| 396 | R | 31.3 | Very low | 38.2 | Very low | 259 Ų | 259 | 132.8 Ų | 132.8 | 98% | 0.977 | 78% | 0.78 | S | S | * | * | | | trans | -149.8 | 164.8 | 158.1 | -74.7 | -158.7 | 174.5 | 138.6 | 6.6 | 112.6 | | |
| 397 | A | 36.4 | Very low | 38.9 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -124.5 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 398 | S | 36.3 | Very low | 40 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 95% | 0.951 | 76% | 0.761 | S | S | * | * | | | trans | 83.2 | 129 | -178.6 | -160.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 399 | G | 33.3 | Very low | 40.9 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 141.5 | 124.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 400 | Q | 43.2 | Very low | 41.8 | Very low | 195 Ų | 195 | 130 Ų | 130 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | | | trans | -94.8 | 133.4 | -176.8 | -65.7 | 174.4 | -15.7 | 0 | 0 | 112.6 | | |
| 401 | T | 32.9 | Very low | 43.7 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -159.6 | 141.1 | 142 | 35.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 402 | P | 43.8 | Very low | 45.4 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | | | trans | -98.6 | 129.1 | 167.5 | 34.4 | -28.2 | 0 | 0 | 0 | 111.2 | | |
| 403 | S | 35.3 | Very low | 47.4 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | trans | -146.4 | 108.1 | 177.9 | 34.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 404 | S | 35.2 | Very low | 50 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | | | trans | 55.4 | 130.3 | 154.4 | -56.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 405 | P | 49.7 | Very low | 52.6 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | | | trans | -71 | 142.5 | 170.9 | 30.8 | -34.2 | 0 | 0 | 0 | 112.1 | Y407 | P405-Y407 HydrophobicContact CG-CE2 3.99Å; P405-Y407 WeakPolarHBondContact O-CD2 3.23Å; P405-Y407 PolarHBondContact O-N 3.4Å |
| 406 | N | 53 | Low | 53.8 | Low | 116 Ų | 116 | 122.8 Ų | 122.8 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | | | trans | -83.1 | 111.1 | -178.5 | -178 | -19.7 | 0 | 0 | 0 | 111.6 | E408 | N406-E408 PolarHBondContact OD1-N 3.04Š|
| 407 | Y | 53.3 | Low | 56.5 | Low | 172 Ų | 172 | 118.6 Ų | 118.6 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | | | trans | -83.7 | -21 | -179 | -79.7 | -88.4 | 0 | 0 | 0 | 115 | P405 N409 S410 L411 | P405-Y407 HydrophobicContact CG-CE2 3.99Å; P405-Y407 WeakPolarHBondContact O-CD2 3.23Å; P405-Y407 PolarHBondContact O-N 3.4Å; Y407-N409 PolarHBondContact O-N 3.46Å; Y407-S410 WeakPolarHBondContact O-CB 3.46Å; Y407-S410 PolarHBondContact O-N 3.29Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; Y407-L411 PolarHBondContact O-N 3.12Å |
| 408 | E | 55.5 | Low | 59.1 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 61% | 0.607 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | -173.9 | -81.2 | -147.5 | 110.1 | 0 | 0 | 112.9 | N406 S410 L411 H412 | N406-E408 PolarHBondContact OD1-N 3.04Å; E408-S410 PolarHBondContact O-N 3.15Å; E408-L411 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-ND1 2.79Å; E408-H412 IonicContact OE1-CE1 2.9Å |
| 409 | N | 58.9 | Low | 61.3 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.9 | -31.6 | 178.3 | -102.7 | -29.7 | 0 | 0 | 0 | 112.1 | Y407 S413 | Y407-N409 PolarHBondContact O-N 3.46Å; N409-S413 VanDerWaalsContact O-CB 3.23Å; N409-S413 WeakPolarHBondContact O-CB 3.25Å; N409-S413 PolarHBondContact O-N 3.22Å |
| 410 | S | 65.3 | Low | 64 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.1 | -45.1 | 176.4 | -165.3 | 0 | 0 | 0 | 0 | 111.2 | Y407 E408 S413 L414 | Y407-S410 WeakPolarHBondContact O-CB 3.46Å; Y407-S410 PolarHBondContact O-N 3.29Å; Y407-S410 VanDerWaalsContact O-N 3.15Å; E408-S410 PolarHBondContact O-N 3.15Å; S410-S413 PolarHBondContact O-N 3.32Å; S410-L414 WeakPolarHBondContact O-CB 3.37Å; S410-L414 PolarHBondContact O-N 2.91Å |
| 411 | L | 72.1 | Confident | 66.3 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.4 | -39.6 | 177.2 | -69.8 | 175.2 | 0 | 0 | 0 | 112.6 | Y407 E408 L414 K415 | Y407-L411 PolarHBondContact O-N 3.12Å; E408-L411 PolarHBondContact O-N 3.49Å; L411-L414 PolarHBondContact O-N 3Å; L411-K415 VanDerWaalsContact O-CB 3.28Å; L411-K415 WeakPolarHBondContact O-CB 3.43Å; L411-K415 PolarHBondContact O-N 3.33Å |
| 412 | H | 72.3 | Confident | 69.2 | Low | 94 Ų | 94 | 114.8 Ų | 114.8 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66 | -42.3 | 174.6 | -74.8 | 88.2 | 0 | 0 | 0 | 111.9 | E408 K415 N416 | E408-H412 PolarHBondContact O-N 3.49Å; E408-H412 PolarHBondContact O-ND1 2.79Å; E408-H412 IonicContact OE1-CE1 2.9Å; H412-K415 PolarHBondContact O-N 3.12Å; H412-N416 WeakPolarHBondContact O-CB 3.45Å; H412-N416 PolarHBondContact O-N 2.99Å; H412-N416 PolarHBondContact O-OD1 3.27Å |
| 413 | S | 74.4 | Confident | 71.4 | Confident | 68 Ų | 68 | 113.7 Ų | 113.7 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -39.9 | 175.8 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | N409 S410 N416 R417 | N409-S413 VanDerWaalsContact O-CB 3.23Å; N409-S413 WeakPolarHBondContact O-CB 3.25Å; N409-S413 PolarHBondContact O-N 3.22Å; S410-S413 PolarHBondContact O-N 3.32Å; S413-N416 PolarHBondContact O-N 2.72Å; S413-R417 WeakPolarHBondContact O-CB 3.38Å; S413-R417 PolarHBondContact O-N 3.47Å |
| 414 | L | 82.5 | Confident | 74.1 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -46 | 173.9 | -179.1 | 61 | 0 | 0 | 0 | 111.9 | S410 L411 N416 R417 V418 | S410-L414 WeakPolarHBondContact O-CB 3.37Å; S410-L414 PolarHBondContact O-N 2.91Å; L411-L414 PolarHBondContact O-N 3Å; L414-N416 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 2.91Å; L414-R417 PolarHBondContact O-N 3.4Å; L414-V418 HydrophobicContact CD1-CG2 4.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.35Å |
| 415 | K | 81.1 | Confident | 76.7 | Confident | 144 Ų | 144 | 115.4 Ų | 115.4 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.7 | -45.6 | 175.7 | -178.3 | -179.7 | 177.6 | -177.3 | 0 | 111.2 | L411 H412 V418 H419 | L411-K415 VanDerWaalsContact O-CB 3.28Å; L411-K415 WeakPolarHBondContact O-CB 3.43Å; L411-K415 PolarHBondContact O-N 3.33Å; H412-K415 PolarHBondContact O-N 3.12Å; K415-V418 PolarHBondContact O-N 2.66Å; K415-H419 VanDerWaalsContact O-CB 3.27Å; K415-H419 WeakPolarHBondContact O-CB 3.36Å; K415-H419 PolarHBondContact O-N 3.28Å |
| 416 | N | 85 | Confident | 78.8 | Confident | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.7 | -39.1 | 178.2 | -68.6 | -3.9 | 0 | 0 | 0 | 111.7 | H412 S413 L414 H419 Q420 | H412-N416 WeakPolarHBondContact O-CB 3.45Å; H412-N416 PolarHBondContact O-N 2.99Å; H412-N416 PolarHBondContact O-OD1 3.27Å; S413-N416 PolarHBondContact O-N 2.72Å; L414-N416 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 2.91Å; N416-H419 PolarHBondContact O-N 3.39Å; N416-Q420 WeakPolarHBondContact O-CB 3.27Å; N416-Q420 PolarHBondContact O-N 3.48Å |
| 417 | R | 87.4 | Confident | 80.8 | Confident | 171 Ų | 171 | 114.4 Ų | 114.4 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.4 | -46.9 | 174.6 | -172 | -176.9 | -59.1 | -161.3 | 0.3 | 112.3 | S413 L414 H419 Q420 Q421 | S413-R417 WeakPolarHBondContact O-CB 3.38Å; S413-R417 PolarHBondContact O-N 3.47Å; L414-R417 PolarHBondContact O-N 3.4Å; R417-H419 VanDerWaalsContact C-N 3.34Å; R417-Q420 PolarHBondContact O-N 2.95Å; R417-Q421 WeakPolarHBondContact O-CB 3.4Å; R417-Q421 PolarHBondContact O-N 3.39Å |
| 418 | V | 89.9 | Confident | 82.7 | Confident | 83 Ų | 83 | 111.1 Ų | 111.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.4 | -40.3 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L414 K415 Q421 L422 | L414-V418 HydrophobicContact CD1-CG2 4.22Å; L414-V418 WeakPolarHBondContact O-CG2 3.43Å; L414-V418 PolarHBondContact O-N 3.35Å; K415-V418 PolarHBondContact O-N 2.66Å; V418-Q421 PolarHBondContact O-N 3.39Å; V418-L422 VanDerWaalsContact O-CB 3.27Å; V418-L422 WeakPolarHBondContact O-CB 3.27Å; V418-L422 PolarHBondContact O-N 2.99Å |
| 419 | H | 84.1 | Confident | 84.5 | Confident | 126 Ų | 126 | 106.9 Ų | 106.9 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 176.4 | -166 | -79.2 | 0 | 0 | 0 | 112.3 | K415 N416 R417 H423 | K415-H419 VanDerWaalsContact O-CB 3.27Å; K415-H419 WeakPolarHBondContact O-CB 3.36Å; K415-H419 PolarHBondContact O-N 3.28Å; N416-H419 PolarHBondContact O-N 3.39Å; R417-H419 VanDerWaalsContact C-N 3.34Å; H419-H423 VanDerWaalsContact O-CB 3.29Å; H419-H423 WeakPolarHBondContact O-CB 3.35Å; H419-H423 PolarHBondContact O-N 3.41Å |
| 420 | Q | 89 | Confident | 86.1 | Confident | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 174.7 | -173.8 | 62.9 | 55.9 | 0 | 0 | 111.5 | N416 R417 L422 H423 E424 | N416-Q420 WeakPolarHBondContact O-CB 3.27Å; N416-Q420 PolarHBondContact O-N 3.48Å; R417-Q420 PolarHBondContact O-N 2.95Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.35Å; Q420-H423 PolarHBondContact O-N 3.25Å; Q420-H423 VanDerWaalsContact O-N 3.16Å; Q420-E424 PolarHBondContact O-N 2.86Å |
| 421 | Q | 91.2 | Very high | 87.5 | Confident | 135 Ų | 135 | 104.3 Ų | 104.3 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 177.9 | -175.3 | 178.7 | -7.7 | 0 | 0 | 112 | R417 V418 H425 | R417-Q421 WeakPolarHBondContact O-CB 3.4Å; R417-Q421 PolarHBondContact O-N 3.39Å; V418-Q421 PolarHBondContact O-N 3.39Å; Q421-H425 VanDerWaalsContact O-CB 3.3Å; Q421-H425 WeakPolarHBondContact O-CB 3.4Å; Q421-H425 PolarHBondContact O-N 2.97Å |
| 422 | L | 93.8 | Very high | 88.5 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 172.7 | -172.3 | 70.7 | 0 | 0 | 0 | 111.3 | V418 Q420 L426 | V418-L422 VanDerWaalsContact O-CB 3.27Å; V418-L422 WeakPolarHBondContact O-CB 3.27Å; V418-L422 PolarHBondContact O-N 2.99Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 3.35Å; L422-L426 WeakPolarHBondContact O-CB 3.44Å; L422-L426 PolarHBondContact O-N 3.1Å |
| 423 | H | 90 | Very high | 89.5 | Confident | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 179.5 | -173.8 | 58.2 | 0 | 0 | 0 | 112.1 | H419 Q420 L426 Q427 | H419-H423 VanDerWaalsContact O-CB 3.29Å; H419-H423 WeakPolarHBondContact O-CB 3.35Å; H419-H423 PolarHBondContact O-N 3.41Å; Q420-H423 PolarHBondContact O-N 3.25Å; Q420-H423 VanDerWaalsContact O-N 3.16Å; H423-L426 PolarHBondContact O-N 3.05Å; H423-Q427 WeakPolarHBondContact O-CB 3.28Å; H423-Q427 PolarHBondContact O-N 3Å |
| 424 | E | 91.5 | Very high | 90.4 | Very high | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -47.1 | 173.5 | -69.8 | -161.9 | 137.7 | 0 | 0 | 111.5 | Q420 L426 Q427 D428 | Q420-E424 PolarHBondContact O-N 2.86Å; E424-L426 VanDerWaalsContact C-N 3.26Å; E424-L426 PolarHBondContact O-N 2.96Å; E424-Q427 CarbonylContact O-C 3.52Å; E424-Q427 WeakPolarHBondContact O-CA 3.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.37Å; E424-Q427 PolarHBondContact O-N 2.89Å; E424-D428 PolarHBondContact O-N 3.5Å |
| 425 | H | 91.1 | Very high | 90.8 | Very high | 131 Ų | 131 | 107.2 Ų | 107.2 | 61% | 0.606 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -32 | 179.7 | -170.7 | 51.8 | 0 | 0 | 0 | 113.3 | Q421 A429 | Q421-H425 VanDerWaalsContact O-CB 3.3Å; Q421-H425 WeakPolarHBondContact O-CB 3.4Å; Q421-H425 PolarHBondContact O-N 2.97Å; H425-A429 VanDerWaalsContact O-CB 3.28Å; H425-A429 WeakPolarHBondContact O-CB 3.32Å; H425-A429 PolarHBondContact O-N 2.91Å |
| 426 | L | 93.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 173.8 | -158.7 | 161.4 | 0 | 0 | 0 | 110.9 | L422 H423 E424 A429 M430 | L422-L426 WeakPolarHBondContact O-CB 3.44Å; L422-L426 PolarHBondContact O-N 3.1Å; H423-L426 PolarHBondContact O-N 3.05Å; E424-L426 VanDerWaalsContact C-N 3.26Å; E424-L426 PolarHBondContact O-N 2.96Å; L426-A429 PolarHBondContact O-N 2.97Å; L426-M430 HydrophobicContact CD2-CE 3.61Å; L426-M430 HydrophobicContact CD2-CG 4.04Å; L426-M430 HydrophobicContact CD2-SD 3.71Å; L426-M430 WeakPolarHBondContact O-CB 3.31Å; L426-M430 VanDerWaalsContact O-CG 3.31Å; L426-M430 WeakPolarHBondContact O-CG 3.21Å; L426-M430 PolarHBondContact O-N 3.27Å |
| 427 | Q | 94.2 | Very high | 91.3 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 173.1 | -172.3 | 63.7 | 28.5 | 0 | 0 | 112.1 | H423 E424 M430 S431 | H423-Q427 WeakPolarHBondContact O-CB 3.28Å; H423-Q427 PolarHBondContact O-N 3Å; E424-Q427 CarbonylContact O-C 3.52Å; E424-Q427 WeakPolarHBondContact O-CA 3.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.37Å; E424-Q427 PolarHBondContact O-N 2.89Å; Q427-M430 PolarHBondContact O-N 3.44Å; Q427-M430 VanDerWaalsContact OE1-CE 3.23Å; Q427-S431 PolarHBondContact O-N 3.01Å |
| 428 | D | 94 | Very high | 91.3 | Very high | 104 Ų | 104 | 97.2 Ų | 97.2 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.5 | -46.5 | 173.2 | -71.4 | -20.7 | 0 | 0 | 0 | 111 | E424 M430 S431 F432 | E424-D428 PolarHBondContact O-N 3.5Å; D428-M430 VanDerWaalsContact C-N 3.33Å; D428-M430 PolarHBondContact O-N 2.94Å; D428-S431 PolarHBondContact O-N 3.28Å; D428-F432 WeakPolarHBondContact O-CB 3.3Å; D428-F432 PolarHBondContact O-N 3.04Å |
| 429 | A | 93.2 | Very high | 91.1 | Very high | 41 Ų | 41 | 96.2 Ų | 96.2 | 34% | 0.339 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H425 L426 L433 | H425-A429 VanDerWaalsContact O-CB 3.28Å; H425-A429 WeakPolarHBondContact O-CB 3.32Å; H425-A429 PolarHBondContact O-N 2.91Å; L426-A429 PolarHBondContact O-N 2.97Å; A429-L433 VanDerWaalsContact O-CB 3.27Å; A429-L433 WeakPolarHBondContact O-CB 3.22Å; A429-L433 WeakPolarHBondContact O-CD1 3.49Å; A429-L433 VanDerWaalsContact O-CG 3.23Å; A429-L433 WeakPolarHBondContact O-CG 3.41Å; A429-L433 PolarHBondContact O-N 3.43Å |
| 430 | M | 93.1 | Very high | 91.2 | Very high | 91 Ų | 91 | 99 Ų | 99 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 173.7 | -74.1 | -173.2 | -54.2 | 0 | 0 | 112.6 | L426 Q427 D428 L433 K434 | L426-M430 HydrophobicContact CD2-CE 3.61Å; L426-M430 HydrophobicContact CD2-CG 4.04Å; L426-M430 HydrophobicContact CD2-SD 3.71Å; L426-M430 WeakPolarHBondContact O-CB 3.31Å; L426-M430 VanDerWaalsContact O-CG 3.31Å; L426-M430 WeakPolarHBondContact O-CG 3.21Å; L426-M430 PolarHBondContact O-N 3.27Å; Q427-M430 PolarHBondContact O-N 3.44Å; Q427-M430 VanDerWaalsContact OE1-CE 3.23Å; D428-M430 VanDerWaalsContact C-N 3.33Å; D428-M430 PolarHBondContact O-N 2.94Å; M430-L433 PolarHBondContact O-N 2.95Å; M430-K434 WeakPolarHBondContact O-CB 3.44Å; M430-K434 PolarHBondContact O-N 3.01Å |
| 431 | S | 93.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 99.3 Ų | 99.3 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -51.7 | 173.9 | -161.3 | 0 | 0 | 0 | 0 | 110.3 | Q427 D428 L433 K434 D435 | Q427-S431 PolarHBondContact O-N 3.01Å; D428-S431 PolarHBondContact O-N 3.28Å; S431-L433 VanDerWaalsContact C-N 3.29Å; S431-L433 PolarHBondContact O-N 3.25Å; S431-K434 CarbonylContact O-C 3.56Å; S431-K434 WeakPolarHBondContact O-CA 3.06Å; S431-K434 WeakPolarHBondContact O-CB 3.43Å; S431-K434 PolarHBondContact O-N 2.9Å; S431-D435 PolarHBondContact O-N 2.94Å |
| 432 | F | 94.3 | Very high | 91.2 | Very high | 140 Ų | 140 | 97.5 Ų | 97.5 | 61% | 0.614 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.2 | -40.1 | 177.2 | -179.8 | -98.7 | 0 | 0 | 0 | 112.5 | D428 V436 | D428-F432 WeakPolarHBondContact O-CB 3.3Å; D428-F432 PolarHBondContact O-N 3.04Å; F432-V436 HydrophobicContact CD1-CG2 4.32Å; F432-V436 HydrophobicContact CD2-CG2 4.31Å; F432-V436 HydrophobicContact CE1-CG2 3.95Å; F432-V436 HydrophobicContact CE2-CG2 3.93Å; F432-V436 HydrophobicContact CG-CG2 4.49Å; F432-V436 HydrophobicContact CZ-CG2 3.74Å; F432-V436 VanDerWaalsContact O-CB 3.3Å; F432-V436 WeakPolarHBondContact O-CB 3.29Å; F432-V436 VanDerWaalsContact O-CG2 3.24Å; F432-V436 WeakPolarHBondContact O-CG2 3.42Å; F432-V436 PolarHBondContact O-N 2.92Å |
| 433 | L | 93.4 | Very high | 91 | Very high | 106 Ų | 106 | 96.3 Ų | 96.3 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 174 | -79.3 | 166.2 | 0 | 0 | 0 | 112.6 | A429 M430 S431 C437 | A429-L433 VanDerWaalsContact O-CB 3.27Å; A429-L433 WeakPolarHBondContact O-CB 3.22Å; A429-L433 WeakPolarHBondContact O-CD1 3.49Å; A429-L433 VanDerWaalsContact O-CG 3.23Å; A429-L433 WeakPolarHBondContact O-CG 3.41Å; A429-L433 PolarHBondContact O-N 3.43Å; M430-L433 PolarHBondContact O-N 2.95Å; S431-L433 VanDerWaalsContact C-N 3.29Å; S431-L433 PolarHBondContact O-N 3.25Å; L433-C437 VanDerWaalsContact O-CB 3.26Å; L433-C437 WeakPolarHBondContact O-CB 3.26Å; L433-C437 PolarHBondContact O-N 2.88Å; L433-C437 PolarHBondContact O-SG 3.35Å |
| 434 | K | 91.4 | Very high | 91.1 | Very high | 112 Ų | 112 | 97.8 Ų | 97.8 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -57.8 | 171.6 | -177.9 | 179.6 | -179.7 | -73.2 | 0 | 109.7 | M430 S431 V436 C437 E438 | M430-K434 WeakPolarHBondContact O-CB 3.44Å; M430-K434 PolarHBondContact O-N 3.01Å; S431-K434 CarbonylContact O-C 3.56Å; S431-K434 WeakPolarHBondContact O-CA 3.06Å; S431-K434 WeakPolarHBondContact O-CB 3.43Å; S431-K434 PolarHBondContact O-N 2.9Å; K434-V436 VanDerWaalsContact C-N 3.29Å; K434-V436 PolarHBondContact O-N 3.16Å; K434-C437 CarbonylContact O-C 3.56Å; K434-C437 PolarHBondContact O-N 2.87Å; K434-E438 IonicContact NZ-OE1 3.1Å; K434-E438 PolarHBondContact NZ-OE1 2.9Å; K434-E438 IonicContact NZ-OE2 2.72Å; K434-E438 PolarHBondContact NZ-OE2 3.44Å; K434-E438 VanDerWaalsContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 PolarHBondContact O-N 3.47Å |
| 435 | D | 91.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.9 | -40.7 | -175.9 | -54.3 | -24.4 | 0 | 0 | 0 | 111.8 | S431 S439 | S431-D435 PolarHBondContact O-N 2.94Å; D435-S439 VanDerWaalsContact O-CB 3.29Å; D435-S439 WeakPolarHBondContact O-CB 3.27Å; D435-S439 PolarHBondContact O-N 2.88Å; D435-S439 PolarHBondContact O-OG 3.21Å |
| 436 | V | 90.9 | Very high | 91.1 | Very high | 61 Ų | 61 | 95 Ų | 95 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.2 | -30.1 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 112.8 | F432 K434 R440 | F432-V436 HydrophobicContact CD1-CG2 4.32Å; F432-V436 HydrophobicContact CD2-CG2 4.31Å; F432-V436 HydrophobicContact CE1-CG2 3.95Å; F432-V436 HydrophobicContact CE2-CG2 3.93Å; F432-V436 HydrophobicContact CG-CG2 4.49Å; F432-V436 HydrophobicContact CZ-CG2 3.74Å; F432-V436 VanDerWaalsContact O-CB 3.3Å; F432-V436 WeakPolarHBondContact O-CB 3.29Å; F432-V436 VanDerWaalsContact O-CG2 3.24Å; F432-V436 WeakPolarHBondContact O-CG2 3.42Å; F432-V436 PolarHBondContact O-N 2.92Å; K434-V436 VanDerWaalsContact C-N 3.29Å; K434-V436 PolarHBondContact O-N 3.16Å; V436-R440 WeakPolarHBondContact O-CB 3.4Å; V436-R440 PolarHBondContact O-N 3.46Å |
| 437 | C | 86.6 | Confident | 91 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 54% | 0.541 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -80.9 | -36.8 | 175.8 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | L433 K434 M441 | L433-C437 VanDerWaalsContact O-CB 3.26Å; L433-C437 WeakPolarHBondContact O-CB 3.26Å; L433-C437 PolarHBondContact O-N 2.88Å; L433-C437 PolarHBondContact O-SG 3.35Å; K434-C437 CarbonylContact O-C 3.56Å; K434-C437 PolarHBondContact O-N 2.87Å; C437-M441 WeakPolarHBondContact O-CB 3.31Å; C437-M441 PolarHBondContact O-N 3.43Å |
| 438 | E | 87.3 | Confident | 91.1 | Very high | 68 Ų | 68 | 97.8 Ų | 97.8 | 32% | 0.318 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -60.6 | 178.7 | -161.7 | 162.2 | -129.8 | 0 | 0 | 109.3 | K434 R440 M441 E442 | K434-E438 IonicContact NZ-OE1 3.1Å; K434-E438 PolarHBondContact NZ-OE1 2.9Å; K434-E438 IonicContact NZ-OE2 2.72Å; K434-E438 PolarHBondContact NZ-OE2 3.44Å; K434-E438 VanDerWaalsContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 PolarHBondContact O-N 3.47Å; E438-R440 VanDerWaalsContact C-N 3.32Å; E438-R440 PolarHBondContact O-N 2.95Å; E438-M441 CarbonylContact O-C 3.56Å; E438-M441 WeakPolarHBondContact O-CA 3.41Å; E438-M441 WeakPolarHBondContact O-CB 3.47Å; E438-M441 PolarHBondContact O-N 3.5Å; E438-E442 VanDerWaalsContact C-OE2 3.25Å; E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 3.38Å |
| 439 | S | 85.3 | Confident | 91 | Very high | 63 Ų | 63 | 97.3 Ų | 97.3 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.7 | -41.3 | 176.8 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | D435 M441 E442 D443 | D435-S439 VanDerWaalsContact O-CB 3.29Å; D435-S439 WeakPolarHBondContact O-CB 3.27Å; D435-S439 PolarHBondContact O-N 2.88Å; D435-S439 PolarHBondContact O-OG 3.21Å; S439-M441 VanDerWaalsContact C-N 3.29Å; S439-M441 PolarHBondContact O-N 2.93Å; S439-E442 WeakPolarHBondContact CA-OE2 3.23Å; S439-E442 PolarHBondContact N-OE2 2.9Å; S439-D443 WeakPolarHBondContact O-CB 3.28Å; S439-D443 PolarHBondContact O-N 3.39Å |
| 440 | R | 87.6 | Confident | 91.1 | Very high | 185 Ų | 185 | 100.3 Ų | 100.3 | 70% | 0.698 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.1 | -17.4 | 176.9 | -172.2 | 172.3 | 178.3 | -107.4 | -1.5 | 113.6 | V436 E438 R444 | V436-R440 WeakPolarHBondContact O-CB 3.4Å; V436-R440 PolarHBondContact O-N 3.46Å; E438-R440 VanDerWaalsContact C-N 3.32Å; E438-R440 PolarHBondContact O-N 2.95Å; R440-R444 WeakPolarHBondContact O-CB 3.3Å; R440-R444 VanDerWaalsContact O-CD 3.3Å; R440-R444 WeakPolarHBondContact O-CD 3.35Å; R440-R444 VanDerWaalsContact O-CG 3.22Å; R440-R444 WeakPolarHBondContact O-CG 3.29Å |
| 441 | M | 89.3 | Confident | 91.1 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -86.2 | -43.9 | 173 | -177.5 | 162.3 | 62.8 | 0 | 0 | 110.4 | C437 E438 S439 R444 L445 | C437-M441 WeakPolarHBondContact O-CB 3.31Å; C437-M441 PolarHBondContact O-N 3.43Å; E438-M441 CarbonylContact O-C 3.56Å; E438-M441 WeakPolarHBondContact O-CA 3.41Å; E438-M441 WeakPolarHBondContact O-CB 3.47Å; E438-M441 PolarHBondContact O-N 3.5Å; S439-M441 VanDerWaalsContact C-N 3.29Å; S439-M441 PolarHBondContact O-N 2.93Å; M441-R444 CarbonylContact O-C 3.58Å; M441-R444 WeakPolarHBondContact O-CA 3.22Å; M441-R444 WeakPolarHBondContact O-CB 3.37Å; M441-R444 PolarHBondContact O-N 2.88Å; M441-R444 VanDerWaalsContact O-N 3.08Å; M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 VanDerWaalsContact O-CD1 3.29Å; M441-L445 WeakPolarHBondContact O-CD1 3.39Å; M441-L445 PolarHBondContact O-N 3.19Å |
| 442 | E | 89.6 | Confident | 91 | Very high | 98 Ų | 98 | 99.8 Ų | 99.8 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -52.2 | 175.6 | -67.7 | 162 | 150.5 | 0 | 0 | 110.8 | E438 S439 R444 L445 D446 | E438-E442 VanDerWaalsContact C-OE2 3.25Å; E438-E442 WeakPolarHBondContact O-CG 3.3Å; E438-E442 PolarHBondContact O-N 3.38Å; S439-E442 WeakPolarHBondContact CA-OE2 3.23Å; S439-E442 PolarHBondContact N-OE2 2.9Å; E442-R444 PolarHBondContact O-N 2.89Å; E442-L445 WeakPolarHBondContact O-CA 3.43Å; E442-L445 PolarHBondContact O-N 3.35Å; E442-D446 PolarHBondContact O-N 2.99Å |
| 443 | D | 90.4 | Very high | 90.9 | Very high | 82 Ų | 82 | 97.1 Ų | 97.1 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -10.9 | 174.2 | -161.3 | 95.1 | 0 | 0 | 0 | 113 | S439 R447 | S439-D443 WeakPolarHBondContact O-CB 3.28Å; S439-D443 PolarHBondContact O-N 3.39Å; D443-R447 WeakPolarHBondContact O-CD 3.41Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-NE 3.33Å; D443-R447 IonicContact OD1-NH2 2.66Å; D443-R447 IonicContact OD2-CZ 3.84Å; D443-R447 IonicContact OD2-NE 3.26Å; D443-R447 PolarHBondContact OD2-NE 2.95Å; D443-R447 IonicContact OD2-NH2 3.68Å; D443-R447 PolarHBondContact OD2-NH2 2.89Å |
| 444 | R | 90.8 | Very high | 90.8 | Very high | 140 Ų | 140 | 96 Ų | 96 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -103.6 | -18.4 | 171.2 | -77.9 | -179 | 62.3 | -94.8 | -7.2 | 114.5 | R440 M441 E442 L448 | R440-R444 WeakPolarHBondContact O-CB 3.3Å; R440-R444 VanDerWaalsContact O-CD 3.3Å; R440-R444 WeakPolarHBondContact O-CD 3.35Å; R440-R444 VanDerWaalsContact O-CG 3.22Å; R440-R444 WeakPolarHBondContact O-CG 3.29Å; M441-R444 CarbonylContact O-C 3.58Å; M441-R444 WeakPolarHBondContact O-CA 3.22Å; M441-R444 WeakPolarHBondContact O-CB 3.37Å; M441-R444 PolarHBondContact O-N 2.88Å; M441-R444 VanDerWaalsContact O-N 3.08Å; E442-R444 PolarHBondContact O-N 2.89Å; R444-L448 VanDerWaalsContact O-CB 3.24Å; R444-L448 WeakPolarHBondContact O-CB 3.36Å |
| 445 | L | 92.5 | Very high | 90.9 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80 | -49.3 | 170.8 | -99.3 | 64 | 0 | 0 | 0 | 108.8 | M441 E442 R447 L448 D449 | M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 VanDerWaalsContact O-CD1 3.29Å; M441-L445 WeakPolarHBondContact O-CD1 3.39Å; M441-L445 PolarHBondContact O-N 3.19Å; E442-L445 WeakPolarHBondContact O-CA 3.43Å; E442-L445 PolarHBondContact O-N 3.35Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.93Å; L445-L448 CarbonylContact O-C 3.56Å; L445-L448 WeakPolarHBondContact O-CA 3.33Å; L445-L448 WeakPolarHBondContact O-CB 3.26Å; L445-L448 PolarHBondContact O-N 2.84Å; L445-D449 PolarHBondContact O-N 2.89Å |
| 446 | D | 91.3 | Very high | 90.7 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54 | -49.7 | 177.9 | -62.1 | -14.2 | 0 | 0 | 0 | 111.4 | E442 L448 D449 D450 | E442-D446 PolarHBondContact O-N 2.99Å; D446-L448 PolarHBondContact O-N 3.45Å; D446-D449 PolarHBondContact O-N 3.45Å; D446-D450 WeakPolarHBondContact O-CB 3.19Å; D446-D450 PolarHBondContact O-N 3.41Å |
| 447 | R | 92.1 | Very high | 90.4 | Very high | 162 Ų | 162 | 103 Ų | 103 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -22.7 | 175.8 | -66.1 | 175.2 | -162.2 | -91.1 | -2.8 | 114 | D443 L445 A451 | D443-R447 WeakPolarHBondContact O-CD 3.41Å; D443-R447 WeakPolarHBondContact O-CG 3.23Å; D443-R447 PolarHBondContact O-NE 3.33Å; D443-R447 IonicContact OD1-NH2 2.66Å; D443-R447 IonicContact OD2-CZ 3.84Å; D443-R447 IonicContact OD2-NE 3.26Å; D443-R447 PolarHBondContact OD2-NE 2.95Å; D443-R447 IonicContact OD2-NH2 3.68Å; D443-R447 PolarHBondContact OD2-NH2 2.89Å; L445-R447 VanDerWaalsContact C-N 3.35Å; L445-R447 PolarHBondContact O-N 2.93Å; R447-A451 WeakPolarHBondContact O-CB 3.48Å; R447-A451 PolarHBondContact O-N 2.91Å |
| 448 | L | 94.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 105.3 Ų | 105.3 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -87.1 | -35.1 | 179 | -180 | 145.4 | 0 | 0 | 0 | 110.7 | R444 L445 D446 A451 I452 | R444-L448 VanDerWaalsContact O-CB 3.24Å; R444-L448 WeakPolarHBondContact O-CB 3.36Å; L445-L448 CarbonylContact O-C 3.56Å; L445-L448 WeakPolarHBondContact O-CA 3.33Å; L445-L448 WeakPolarHBondContact O-CB 3.26Å; L445-L448 PolarHBondContact O-N 2.84Å; D446-L448 PolarHBondContact O-N 3.45Å; L448-A451 PolarHBondContact O-N 3.49Å; L448-I452 HydrophobicContact CD2-CD1 3.61Å; L448-I452 HydrophobicContact CD2-CG1 4.47Å; L448-I452 HydrophobicContact CG-CD1 4.5Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å |
| 449 | D | 93.6 | Very high | 89.5 | Confident | 93 Ų | 93 | 105.9 Ų | 105.9 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 171.6 | -73.9 | -24.2 | 0 | 0 | 0 | 111.4 | L445 D446 A451 I452 L453 | L445-D449 PolarHBondContact O-N 2.89Å; D446-D449 PolarHBondContact O-N 3.45Å; D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 3.23Å; D449-I452 PolarHBondContact O-N 3.45Å; D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3.26Å |
| 450 | D | 93.8 | Very high | 88.6 | Confident | 104 Ų | 104 | 108 Ų | 108 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -54.5 | -47.8 | 165.4 | -91.4 | -19.9 | 0 | 0 | 0 | 111.1 | D446 I452 L453 V454 | D446-D450 WeakPolarHBondContact O-CB 3.19Å; D446-D450 PolarHBondContact O-N 3.41Å; D450-I452 PolarHBondContact O-N 3.33Å; D450-L453 WeakPolarHBondContact O-CB 3.26Å; D450-L453 PolarHBondContact O-N 2.99Å; D450-V454 WeakPolarHBondContact O-CG2 3.38Å; D450-V454 PolarHBondContact O-N 2.82Å |
| 451 | A | 92.8 | Very high | 87.3 | Confident | 46 Ų | 46 | 101.4 Ų | 101.4 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R447 L448 D449 L455 | R447-A451 WeakPolarHBondContact O-CB 3.48Å; R447-A451 PolarHBondContact O-N 2.91Å; L448-A451 PolarHBondContact O-N 3.49Å; D449-A451 VanDerWaalsContact C-N 3.32Å; D449-A451 PolarHBondContact O-N 3.23Å; A451-L455 VanDerWaalsContact O-CB 3.26Å; A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 WeakPolarHBondContact O-CD1 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.86Å |
| 452 | I | 91.8 | Very high | 85.5 | Confident | 89 Ų | 89 | 100.6 Ų | 100.6 | 46% | 0.456 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 172.8 | -74.2 | 168.2 | 0 | 0 | 0 | 110.7 | L448 D449 D450 L455 R456 | L448-I452 HydrophobicContact CD2-CD1 3.61Å; L448-I452 HydrophobicContact CD2-CG1 4.47Å; L448-I452 HydrophobicContact CG-CD1 4.5Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.46Å; L448-I452 PolarHBondContact O-N 2.85Å; D449-I452 PolarHBondContact O-N 3.45Å; D450-I452 PolarHBondContact O-N 3.33Å; I452-L455 PolarHBondContact O-N 3.24Å; I452-R456 WeakPolarHBondContact O-CB 3.38Å; I452-R456 PolarHBondContact O-N 2.71Å |
| 453 | L | 92 | Very high | 83.7 | Confident | 85 Ų | 85 | 102 Ų | 102 | 45% | 0.445 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 178 | -177.7 | 62.1 | 0 | 0 | 0 | 111.1 | D449 D450 R456 N457 | D449-L453 WeakPolarHBondContact O-CB 3.18Å; D449-L453 PolarHBondContact O-N 3.26Å; D450-L453 WeakPolarHBondContact O-CB 3.26Å; D450-L453 PolarHBondContact O-N 2.99Å; L453-R456 PolarHBondContact O-N 2.86Å; L453-N457 WeakPolarHBondContact O-CB 3.24Å; L453-N457 PolarHBondContact O-N 2.98Å; L453-N457 PolarHBondContact O-ND2 3.41Å |
| 454 | V | 92.8 | Very high | 82 | Confident | 82 Ų | 82 | 102.8 Ų | 102.8 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.2 | -48.5 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | D450 R456 N457 H458 | D450-V454 WeakPolarHBondContact O-CG2 3.38Å; D450-V454 PolarHBondContact O-N 2.82Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.28Å; V454-N457 PolarHBondContact O-N 2.9Å; V454-H458 PolarHBondContact O-CD2 2.88Å; V454-H458 PolarHBondContact O-N 3.26Å |
| 455 | L | 92.2 | Very high | 80 | Confident | 120 Ų | 120 | 100.6 Ų | 100.6 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.3 | -39.9 | 178.4 | -75.9 | 169.2 | 0 | 0 | 0 | 112.3 | A451 I452 H458 A459 | A451-L455 VanDerWaalsContact O-CB 3.26Å; A451-L455 WeakPolarHBondContact O-CB 3.32Å; A451-L455 WeakPolarHBondContact O-CD1 3.3Å; A451-L455 WeakPolarHBondContact O-CG 3.48Å; A451-L455 PolarHBondContact O-N 2.86Å; I452-L455 PolarHBondContact O-N 3.24Å; L455-H458 PolarHBondContact O-N 3.32Å; L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 3.48Å |
| 456 | R | 87.9 | Confident | 78 | Confident | 179 Ų | 179 | 104 Ų | 104 | 68% | 0.675 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -44.5 | 176.1 | -172 | 178.4 | -173.3 | -175.4 | 1.5 | 111.1 | I452 L453 V454 A459 V460 | I452-R456 WeakPolarHBondContact O-CB 3.38Å; I452-R456 PolarHBondContact O-N 2.71Å; L453-R456 PolarHBondContact O-N 2.86Å; V454-R456 VanDerWaalsContact C-N 3.33Å; V454-R456 PolarHBondContact O-N 3.28Å; R456-A459 PolarHBondContact O-N 3.46Å; R456-V460 WeakPolarHBondContact O-CB 3.15Å; R456-V460 VanDerWaalsContact O-CG2 3.3Å; R456-V460 WeakPolarHBondContact O-CG2 3.02Å; R456-V460 PolarHBondContact O-N 3.14Å |
| 457 | N | 84.4 | Confident | 75.6 | Confident | 98 Ų | 98 | 103.8 Ų | 103.8 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.2 | -41.6 | 176.8 | -71.2 | -23 | 0 | 0 | 0 | 111.9 | L453 V454 G461 | L453-N457 WeakPolarHBondContact O-CB 3.24Å; L453-N457 PolarHBondContact O-N 2.98Å; L453-N457 PolarHBondContact O-ND2 3.41Å; V454-N457 PolarHBondContact O-N 2.9Å; N457-G461 WeakPolarHBondContact O-CA 3.37Å; N457-G461 PolarHBondContact O-N 3.24Å |
| 458 | H | 79.8 | Confident | 73.7 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.8 | -39.4 | 177.4 | -79.4 | -122.5 | 0 | 0 | 0 | 113 | V454 L455 S462 | V454-H458 PolarHBondContact O-CD2 2.88Å; V454-H458 PolarHBondContact O-N 3.26Å; L455-H458 PolarHBondContact O-N 3.32Å; H458-S462 PolarHBondContact O-OG 2.86Å |
| 459 | A | 73.9 | Confident | 71.4 | Confident | 80 Ų | 80 | 102.5 Ų | 102.5 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L455 R456 | L455-A459 WeakPolarHBondContact O-CB 3.36Å; L455-A459 PolarHBondContact O-N 3.48Å; R456-A459 PolarHBondContact O-N 3.46Å |
| 460 | V | 67 | Low | 69.5 | Low | 107 Ų | 107 | 104.8 Ų | 104.8 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -85.9 | -30.4 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | R456 S462 | R456-V460 WeakPolarHBondContact O-CB 3.15Å; R456-V460 VanDerWaalsContact O-CG2 3.3Å; R456-V460 WeakPolarHBondContact O-CG2 3.02Å; R456-V460 PolarHBondContact O-N 3.14Å; V460-S462 PolarHBondContact O-N 2.84Å |
| 461 | G | 60.8 | Low | 67.1 | Low | 47 Ų | 47 | 107.8 Ų | 107.8 | 49% | 0.485 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77.7 | -10 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | N457 | N457-G461 WeakPolarHBondContact O-CA 3.37Å; N457-G461 PolarHBondContact O-N 3.24Å |
| 462 | S | 51.5 | Low | 64.7 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 14.2 | -163.1 | -60.5 | 0 | 0 | 0 | 0 | 115.6 | H458 V460 | H458-S462 PolarHBondContact O-OG 2.86Å; V460-S462 PolarHBondContact O-N 2.84Å |
| 463 | T | 51.3 | Low | 62.6 | Low | 128 Ų | 128 | 114.2 Ų | 114.2 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 0.7 | 178.3 | 55 | 0 | 0 | 0 | 0 | 114.8 | | |
| 464 | A | 54.3 | Low | 60.4 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -101.9 | 4.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 465 | S | 49.4 | Very low | 57.8 | Low | 94 Ų | 94 | 117.6 Ų | 117.6 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | | | trans | -134.4 | 36.3 | -168.2 | 54.3 | 0 | 0 | 0 | 0 | 115 | P467 | S465-P467 WeakPolarHBondContact O-CD 3.28Š|
| 466 | L | 50.9 | Low | 55.2 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | | | trans | -69.1 | 126.9 | 157.7 | -71.2 | 177.6 | 0 | 0 | 0 | 109.1 | S468 | L466-S468 PolarHBondContact O-N 3.08Š|
| 467 | P | 41.1 | Very low | 52.7 | Low | 98 Ų | 98 | 117 Ų | 117 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | -64.7 | 131.4 | 179.6 | -23.4 | 34.5 | 0 | 0 | 0 | 112.8 | S465 D469 | S465-P467 WeakPolarHBondContact O-CD 3.28Å; P467-D469 PolarHBondContact O-N 2.9Å; P467-D469 VanDerWaalsContact O-N 3.15Å |
| 468 | S | 50.9 | Low | 50.5 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -63.7 | -18.6 | -177.8 | -49.3 | 0 | 0 | 0 | 0 | 114.6 | L466 I470 H471 | L466-S468 PolarHBondContact O-N 3.08Å; S468-I470 VanDerWaalsContact C-N 3.3Å; S468-I470 PolarHBondContact O-N 2.88Å; S468-H471 PolarHBondContact O-N 3.29Å |
| 469 | D | 48.1 | Very low | 48.4 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -77.7 | -5.8 | -157.4 | -58.9 | -49.6 | 0 | 0 | 0 | 115.5 | P467 H471 | P467-D469 PolarHBondContact O-N 2.9Å; P467-D469 VanDerWaalsContact O-N 3.15Å; D469-H471 VanDerWaalsContact C-N 3.34Å |
| 470 | I | 51.8 | Low | 46.5 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -75.9 | -24 | 175.1 | -59.7 | -179.7 | 0 | 0 | 0 | 111.5 | S468 S472 L473 | S468-I470 VanDerWaalsContact C-N 3.3Å; S468-I470 PolarHBondContact O-N 2.88Å; I470-S472 PolarHBondContact O-N 2.91Å; I470-L473 PolarHBondContact O-N 2.97Å |
| 471 | H | 44.8 | Very low | 45.6 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -68.2 | -17.6 | -177 | -88 | -85.6 | 0 | 0 | 0 | 114.8 | S468 D469 L473 | S468-H471 PolarHBondContact O-N 3.29Å; D469-H471 VanDerWaalsContact C-N 3.34Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.01Å |
| 472 | S | 42.3 | Very low | 44.4 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -80 | -6.1 | 179.8 | -62.4 | 0 | 0 | 0 | 0 | 114.6 | I470 | I470-S472 PolarHBondContact O-N 2.91Š|
| 473 | L | 46.6 | Very low | 43.6 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -109.4 | -2 | -175.8 | -87.2 | 166.4 | 0 | 0 | 0 | 115.4 | I470 H471 | I470-L473 PolarHBondContact O-N 2.97Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.01Å |
| 474 | L | 47.3 | Very low | 42.9 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -114.8 | 9.7 | 176.7 | -163.3 | 53.6 | 0 | 0 | 0 | 113.1 | Q476 | L474-Q476 VanDerWaalsContact C-N 3.29Å; L474-Q476 PolarHBondContact O-N 3.25Å; L474-Q476 VanDerWaalsContact O-N 3.16Å |
| 475 | G | 36.9 | Very low | 42.2 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -80.4 | 23.4 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 476 | Q | 38.8 | Very low | 41.5 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -117.5 | 98.8 | 178.4 | -160.2 | 166.9 | 10.9 | 0 | 0 | 110.8 | L474 | L474-Q476 VanDerWaalsContact C-N 3.29Å; L474-Q476 PolarHBondContact O-N 3.25Å; L474-Q476 VanDerWaalsContact O-N 3.16Å |
| 477 | A | 35.3 | Very low | 42 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -71.1 | 131.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 478 | Q | 37.2 | Very low | 41.5 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -136.4 | 154.6 | 151.9 | -64.8 | -164.7 | 11.9 | 0 | 0 | 109.5 | | |
| 479 | N | 35.8 | Very low | 40.9 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -67.1 | 157.4 | -160.4 | -56.8 | -39.4 | 0 | 0 | 0 | 114.9 | | |
| 480 | G | 34.9 | Very low | 40.9 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -74.3 | -161.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 481 | P | 47.2 | Very low | 40 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | cis | -142.3 | -179.8 | 24.2 | 40.6 | -20.7 | 0 | 0 | 0 | 117.6 | | |
| 482 | I | 36.8 | Very low | 39.6 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 85.7 | 136.6 | 138.7 | -100.1 | 166 | 0 | 0 | 0 | 121.6 | | |
| 483 | T | 34.5 | Very low | 39 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | | | trans | 85.9 | 136.2 | 153.2 | 38.2 | 0 | 0 | 0 | 0 | 126.6 | | |
| 484 | T | 35 | Very low | 38.5 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | | | trans | 88.8 | 110.3 | 136.2 | 44.8 | 0 | 0 | 0 | 0 | 124.9 | | |
| 485 | I | 40.9 | Very low | 38.1 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | | 54.2 | 110.5 | 120.6 | -55 | 171.8 | 0 | 0 | 0 | 119.9 | | |
| 486 | G | 35.3 | Very low | 38.5 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | | 90 | 164.4 | 109.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 487 | P | 60.3 | Low | 38.1 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -108.5 | 158.7 | -168.4 | 39.9 | -33.2 | 0 | 0 | 0 | 114.7 | | |
| 488 | N | 31.4 | Very low | 38 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -160.9 | 156.9 | 140.9 | -135.4 | -13.8 | 0 | 0 | 0 | 116.3 | | |
| 489 | F | 37.3 | Very low | 38 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -81.9 | 172.4 | 162.7 | -91.8 | -85.5 | 0 | 0 | 0 | 109.9 | | |
| 490 | P | 47.8 | Very low | 38 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | | -149.8 | -156.3 | 50.3 | 42.9 | -18.9 | 0 | 0 | 0 | 116.4 | | |
| 491 | A | 32.9 | Very low | 37.9 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | -127.5 | 173.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 492 | S | 36.6 | Very low | 37.3 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | 75.8 | 119.2 | 154.9 | -59.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 493 | A | 31.1 | Very low | 37 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -154.2 | 165.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 494 | L | 36.1 | Very low | 36.8 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -141.4 | 141.8 | -162.2 | -77.2 | 167.7 | 0 | 0 | 0 | 114.9 | | |
| 495 | V | 37.2 | Very low | 36.6 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | | | trans | 69.8 | 163.8 | 142 | 171 | 0 | 0 | 0 | 0 | 116.5 | | |
| 496 | P | 46.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | cis | -126.5 | 153.7 | -11.8 | 26.4 | -4.8 | 0 | 0 | 0 | 118.6 | | |
| 497 | S | 29.1 | Very low | 36.2 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | 22.4 | 137.4 | 131.2 | -165.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 498 | R | 33.5 | Very low | 34.7 | Very low | 244 Ų | 244 | 130.6 Ų | 130.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -150.8 | 167.9 | 145.4 | -68.3 | -161.3 | -175.3 | -83.2 | -7.7 | 111.8 | | |
| 499 | T | 37.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -144.6 | 152.7 | -164.4 | -7.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 500 | A | 36.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | 69.2 | 129.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 501 | A | 32.2 | Very low | 33.5 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | 165 | 162.3 | 147 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 502 | M | 34.5 | Very low | 33.3 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | cis | -173.3 | 164.8 | -45.3 | -129.6 | -69.6 | 168.2 | 0 | 0 | 107.4 | | |
| 503 | Q | 31 | Very low | 33 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 62.8 | 151.7 | -175.7 | -105.4 | 65.6 | 30.1 | 0 | 0 | 115.3 | | |
| 504 | G | 30.1 | Very low | 32.9 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | 143.5 | 143.8 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 505 | G | 30.1 | Very low | 32.8 | Very low | 60 Ų | 60 | 126.1 Ų | 126.1 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | | | cis | -172.3 | 178.7 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 506 | D | 33.8 | Very low | 32.3 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | | | trans | 28.1 | 142.3 | 141.2 | -20.4 | -44.5 | 0 | 0 | 0 | 120.5 | | |
| 507 | D | 34 | Very low | 31.4 | Very low | 156 Ų | 156 | 122.4 Ų | 122.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | cis | -165.5 | 170.9 | 6.8 | -149.4 | -16 | 0 | 0 | 0 | 113.4 | | |
| 508 | A | 30.2 | Very low | 31.6 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | trans | 63.6 | 126.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 509 | A | 31.1 | Very low | 32 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | 72.4 | 163 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 510 | S | 26.2 | Very low | 31.6 | Very low | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | cis | -162.5 | 146.4 | -5.4 | 105.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 511 | L | 33.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | 59.4 | 179.8 | 152.9 | -56.6 | 175 | 0 | 0 | 0 | 116 | | |
| 512 | T | 29.3 | Very low | 31.2 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | cis | -152 | 133.2 | -16.9 | 7.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 513 | N | 28.6 | Very low | 30.9 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | | | | 72.7 | 100 | 83.4 | -168.8 | 61.9 | 0 | 0 | 0 | 118.1 | | |
| 514 | S | 30.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | | | trans | 79.8 | 165.4 | 132.9 | -68.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 515 | H | 33.2 | Very low | 30.7 | Very low | 179 Ų | 179 | 114.6 Ų | 114.6 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 84.1 | 135.5 | 169.9 | -49.2 | -77.5 | 0 | 0 | 0 | 117.1 | | |
| 516 | G | 28 | Very low | 30.5 | Very low | 83 Ų | 83 | 117 Ų | 117 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | cis | 152.8 | 143.2 | -11.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 517 | G | 26.3 | Very low | 30.3 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | trans | 154.6 | 119.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 518 | L | 33.7 | Very low | 30.1 | Very low | 170 Ų | 170 | 117.6 Ų | 117.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -128.9 | 146.9 | 160.3 | -70.3 | 175.3 | 0 | 0 | 0 | 107.2 | | |
| 519 | P | 41.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | | -139 | 175.7 | 93.7 | 14.5 | 9.2 | 0 | 0 | 0 | 112.6 | | |
| 520 | S | 29.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | cis | -169.6 | 172 | -19.1 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 521 | A | 32.7 | Very low | 30 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | 67.1 | 146.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 522 | G | 28.8 | Very low | 29.7 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | cis | -175.9 | 144.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 523 | S | 28.1 | Very low | 29.8 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -71 | 163.8 | -177.5 | -44 | 0 | 0 | 0 | 0 | 112.6 | | |
| 524 | T | 27.4 | Very low | 29.8 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | | -165.2 | 144.1 | 67.1 | 45.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 525 | S | 28.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 12.5 | 125 | 146.8 | 61.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 526 | S | 27.2 | Very low | 29.6 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | | 51.1 | 121.9 | 113.9 | -172.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 527 | T | 29.8 | Very low | 29.8 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | | -163.1 | 157.4 | 125.6 | 22.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 528 | E | 28.9 | Very low | 29.9 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -70.8 | 159.8 | 164.2 | -61.9 | 157.9 | 90.6 | 0 | 0 | 111.7 | | |
| 529 | L | 29.6 | Very low | 29.8 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -162.8 | 146.7 | 135.8 | -112.3 | 176.6 | 0 | 0 | 0 | 113 | | |
| 530 | N | 27.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | trans | -88.1 | 145.1 | 174.6 | 170.2 | 35.5 | 0 | 0 | 0 | 111.1 | | |
| 531 | H | 28.9 | Very low | 29.1 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | | | trans | -152.6 | 147.1 | 158 | -87.1 | 104 | 0 | 0 | 0 | 111.5 | | |
| 532 | Q | 27.1 | Very low | 29 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -135.3 | 134.2 | -173.9 | -172.2 | -178 | 7.4 | 0 | 0 | 111.1 | | |
| 533 | V | 31.6 | Very low | 29 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | | | trans | 49 | 116 | 154 | 174.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 534 | E | 27.9 | Very low | 29 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | | -177.4 | 139.5 | 122.4 | -100.9 | 174.8 | -169.8 | 0 | 0 | 108.9 | | |
| 535 | A | 30.8 | Very low | 29.2 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | | | cis | 90.1 | 66.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 536 | F | 28.8 | Very low | 29.2 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | | | trans | -155.6 | 121 | 149.7 | -116 | -70.2 | 0 | 0 | 0 | 116.7 | | |
| 537 | R | 32.7 | Very low | 29.3 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | | | trans | -176.5 | 137.1 | 154.8 | -174.8 | -174.2 | -65.7 | -128.1 | 4.1 | 106.9 | | |
| 538 | G | 27.2 | Very low | 29.7 | Very low | 61 Ų | 61 | 145.1 Ų | 145.1 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | cis | 170.1 | 87.9 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 539 | L | 32.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | 52.9 | 106.3 | 150.3 | -63.1 | 173.6 | 0 | 0 | 0 | 122.2 | | |
| 540 | T | 27.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -152.2 | 141.8 | 141.8 | 48.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 541 | S | 28 | Very low | 29.6 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | cis | -153.9 | -168.6 | -2.5 | -162.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 542 | A | 30.5 | Very low | 29.4 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | trans | -81.5 | 172.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 543 | L | 29.5 | Very low | 29.4 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | cis | -148.9 | 175.4 | 5.2 | -154 | 60.3 | 0 | 0 | 0 | 105.5 | | |
| 544 | S | 28.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | cis | -156.3 | -155.3 | 17.1 | -164.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 545 | G | 30.6 | Very low | 29.6 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -160.1 | -164.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 546 | Q | 28.8 | Very low | 29.5 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | | | trans | 90.2 | 151.1 | 179.3 | -64.8 | -174.6 | -98.9 | 0 | 0 | 119.6 | | |
| 547 | I | 29.5 | Very low | 29.8 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -116.3 | 173.4 | -171 | 20.6 | 169.4 | 0 | 0 | 0 | 108.4 | | |
| 548 | P | 38.8 | Very low | 29.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | cis | -152 | 160.7 | 33.1 | 42.7 | -20.9 | 0 | 0 | 0 | 121.5 | | |
| 549 | A | 28.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | 67.6 | 154.7 | 135 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 550 | T | 24.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | 100.3 | 133.8 | 153.6 | 71 | 0 | 0 | 0 | 0 | 120.9 | | |
| 551 | L | 29.1 | Very low | 31.1 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | 59.9 | 165.5 | 163 | -58.9 | 169.7 | 0 | 0 | 0 | 117.9 | | |
| 552 | E | 25.6 | Very low | 31.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | | | cis | 177.4 | -178.9 | -39.2 | -154.8 | -161 | 147.6 | 0 | 0 | 105.4 | | |
| 553 | L | 27.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 76 | 95 | 166.7 | -59.2 | 173.1 | 0 | 0 | 0 | 119.6 | | |
| 554 | K | 30.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | | 3.4 | 123.6 | 124.4 | -177.6 | -168.6 | 174.1 | -154.8 | 0 | 116 | E556 | K554-E556 WeakPolarHBondContact CE-OE2 3.47Å; K554-E556 IonicContact NZ-OE2 2.81Å; K554-E556 PolarHBondContact NZ-OE2 2.87Å |
| 555 | I | 32.5 | Very low | 33.4 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -109.4 | 143.7 | 161.1 | -73.6 | 178.1 | 0 | 0 | 0 | 109.9 | | |
| 556 | E | 27.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 148.5 Ų | 148.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | trans | -112.5 | 161.6 | -175.2 | -167.6 | 162.7 | 113.4 | 0 | 0 | 111.2 | K554 Q558 | K554-E556 WeakPolarHBondContact CE-OE2 3.47Å; K554-E556 IonicContact NZ-OE2 2.81Å; K554-E556 PolarHBondContact NZ-OE2 2.87Å; E556-Q558 PolarHBondContact O-N 3.45Å |
| 557 | K | 36.4 | Very low | 34 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 68% | 0.683 | 76% | 0.755 | S | S | * | * | | | trans | -34.2 | 127.1 | 171.3 | -177.9 | -160.3 | -177.5 | -154.1 | 0 | 112.9 | E559 | K557-E559 WeakPolarHBondContact CE-OE1 3.48Å; K557-E559 IonicContact NZ-OE1 3.72Å; K557-E559 PolarHBondContact NZ-OE1 2.97Å; K557-E559 IonicContact NZ-OE2 3.06Å |
| 558 | Q | 30.6 | Very low | 34.2 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | | | trans | -133.3 | 139.2 | 143.4 | -165.2 | 152 | 10.4 | 0 | 0 | 112.4 | E556 | E556-Q558 PolarHBondContact O-N 3.45Š|
| 559 | E | 35.6 | Very low | 34.3 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | | | trans | -101.8 | 141.3 | -170.7 | 167.6 | 179.5 | -88.7 | 0 | 0 | 108.5 | K557 | K557-E559 WeakPolarHBondContact CE-OE1 3.48Å; K557-E559 IonicContact NZ-OE1 3.72Å; K557-E559 PolarHBondContact NZ-OE1 2.97Å; K557-E559 IonicContact NZ-OE2 3.06Å |
| 560 | K | 39.4 | Very low | 34.8 | Very low | 175 Ų | 175 | 149 Ų | 149 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -152.4 | 110.1 | 158.3 | -171.8 | 169.6 | -172.1 | -131.8 | 0 | 111.6 | D562 | K560-D562 WeakPolarHBondContact CE-OD2 3.43Å; K560-D562 IonicContact NZ-OD2 2.69Å; K560-D562 PolarHBondContact NZ-OD2 3.08Å |
| 561 | D | 40.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -72 | 157 | 161.5 | -53.8 | -70.9 | 0 | 0 | 0 | 111.3 | | |
| 562 | D | 44.2 | Very low | 36.3 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -155.6 | 125.4 | 134.9 | -93.3 | -47.1 | 0 | 0 | 0 | 107.4 | K560 | K560-D562 WeakPolarHBondContact CE-OD2 3.43Å; K560-D562 IonicContact NZ-OD2 2.69Å; K560-D562 PolarHBondContact NZ-OD2 3.08Å |
| 563 | M | 45.4 | Very low | 37.3 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -88.8 | 150.4 | -175.8 | -70.1 | 171.8 | -81.4 | 0 | 0 | 111.9 | | |
| 564 | H | 41.3 | Very low | 38.2 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | | | trans | -145.5 | 149.7 | 137.2 | -134.2 | -82.6 | 0 | 0 | 0 | 112.3 | | |
| 565 | D | 34.5 | Very low | 38.7 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -115.3 | 176 | -159.4 | -172.6 | 19.4 | 0 | 0 | 0 | 112.4 | | |
| 566 | S | 33.8 | Very low | 39.4 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | trans | 97.7 | 106.1 | 158.7 | -63.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 567 | L | 37.5 | Very low | 40.4 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | 68.3 | 138.6 | 133 | -52.7 | 173.8 | 0 | 0 | 0 | 118.1 | | |
| 568 | S | 34.1 | Very low | 40.8 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | cis | -154.6 | 153.7 | 26.3 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 569 | D | 41.5 | Very low | 41.5 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -80.5 | 132.4 | 165 | -154.6 | -14.7 | 0 | 0 | 0 | 108.7 | | |
| 570 | N | 37.9 | Very low | 42 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -154.3 | 133.8 | 173 | -111.7 | -44.5 | 0 | 0 | 0 | 111 | | |
| 571 | K | 47.5 | Very low | 42 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | | | trans | -125.1 | 116.7 | -164.1 | -179.6 | 179.7 | -178.6 | 176.1 | 0 | 110.6 | | |
| 572 | S | 39.2 | Very low | 41.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -151.7 | 120 | 172.4 | 55.4 | 0 | 0 | 0 | 0 | 111 | | |
| 573 | D | 46.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -59.3 | 144.1 | 147.4 | -59.4 | -77.8 | 0 | 0 | 0 | 109 | | |
| 574 | D | 44.9 | Very low | 41.3 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | | -164.4 | 163.1 | 121 | -154.5 | 13 | 0 | 0 | 0 | 112.2 | | |
| 575 | E | 42 | Very low | 41.6 | Very low | 146 Ų | 146 | 152 Ų | 152 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | -7.3 | 122.9 | 170.3 | -78.6 | -80.8 | 77.8 | 0 | 0 | 121.2 | | |
| 576 | S | 46.5 | Very low | 41.7 | Very low | 92 Ų | 92 | 150.4 Ų | 150.4 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | | | | 39.2 | 141.4 | 107.6 | -51.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 577 | D | 49.4 | Very low | 42.5 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | | | trans | 97.7 | 142 | 149.1 | -158.9 | 21.2 | 0 | 0 | 0 | 119 | | |
| 578 | R | 45.4 | Very low | 42.4 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 70.3 | 119.9 | 166 | -38.5 | -166.9 | 179.2 | 160.2 | 13.4 | 116.6 | | |
| 579 | R | 45.9 | Very low | 43 | Very low | 232 Ų | 232 | 156.2 Ų | 156.2 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | cis | -158.8 | 167.6 | 22.1 | -67.2 | 179.2 | -94.3 | -153.2 | -8.8 | 112.8 | | |
| 580 | D | 44.6 | Very low | 43 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | -35.8 | 135.7 | 162.9 | -71.3 | -99.7 | 0 | 0 | 0 | 116.9 | | |
| 581 | M | 39.2 | Very low | 43.3 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | -148.6 | 79.1 | 132.3 | -97.8 | -52.3 | 111.7 | 0 | 0 | 112.6 | | |
| 582 | K | 37.8 | Very low | 43.5 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 77% | 0.774 | 76% | 0.76 | S | S | * | * | | | trans | 49.8 | 80.6 | 134.4 | -167.1 | 139.5 | 179.6 | 171.4 | 0 | 118.8 | P584 | K582-P584 WeakPolarHBondContact O-CD 3.14Š|
| 583 | T | 38.9 | Very low | 43.9 | Very low | 138 Ų | 138 | 146 Ų | 146 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | -68.9 | 120.2 | 161 | -38.1 | 0 | 0 | 0 | 0 | 110.8 | R585 | T583-R585 PolarHBondContact O-N 3.48Š|
| 584 | P | 39.1 | Very low | 44 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -77.4 | 105.2 | 176.5 | 30.2 | -32.4 | 0 | 0 | 0 | 110.7 | K582 T586 | K582-P584 WeakPolarHBondContact O-CD 3.14Å; P584-T586 PolarHBondContact O-N 3.09Å |
| 585 | R | 46.9 | Very low | 44.4 | Very low | 252 Ų | 252 | 140.7 Ų | 140.7 | 95% | 0.951 | 71% | 0.711 | S | S | * | * | | | trans | -65 | 90.3 | 176.1 | -174.4 | -172.5 | -175.1 | -154.1 | 4.4 | 111.2 | T583 | T583-R585 PolarHBondContact O-N 3.48Š|
| 586 | T | 38.2 | Very low | 45.1 | Very low | 108 Ų | 108 | 142 Ų | 142 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | | | trans | -110.8 | 113.4 | 173.8 | -50.7 | 0 | 0 | 0 | 0 | 109.4 | P584 Q588 | P584-T586 PolarHBondContact O-N 3.09Å; T586-Q588 HydrophobicContact CG2-CG 4.43Å |
| 587 | G | 49.6 | Very low | 45.8 | Very low | 78 Ų | 78 | 145.3 Ų | 145.3 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -77.7 | 125.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 588 | Q | 35.7 | Very low | 46.5 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | | | trans | -132.7 | 154.1 | 171.3 | -83.3 | -174.7 | -39 | 0 | 0 | 111.4 | T586 | T586-Q588 HydrophobicContact CG2-CG 4.43Š|
| 589 | R | 46.8 | Very low | 48 | Very low | 229 Ų | 229 | 135.3 Ų | 135.3 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | | | trans | -79.2 | 115.4 | 178.6 | -63.6 | 142.1 | 52.8 | -158.5 | -4.3 | 108.8 | | |
| 590 | T | 41.3 | Very low | 49.8 | Very low | 56 Ų | 56 | 129.1 Ų | 129.1 | 34% | 0.344 | 68% | 0.68 | S | S | . | * | | | trans | -122.8 | 12.4 | -175.3 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | I592 T593 E594 | T590-I592 PolarHBondContact O-N 2.84Å; T590-T593 PolarHBondContact O-N 3Å; T590-E594 WeakPolarHBondContact CB-OE1 3.5Å; T590-E594 PolarHBondContact O-N 2.82Å; T590-E594 PolarHBondContact OG1-OE1 3.43Å |
| 591 | S | 44.6 | Very low | 51.7 | Low | 130 Ų | 130 | 129.2 Ų | 129.2 | 91% | 0.909 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 30.4 | 169.7 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 592 | I | 51.4 | Low | 54.1 | Low | 142 Ų | 142 | 126.3 Ų | 126.3 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.2 | -12.7 | -172.1 | -178.1 | 164.2 | 0 | 0 | 0 | 111.4 | T590 | T590-I592 PolarHBondContact O-N 2.84Š|
| 593 | T | 47.1 | Very low | 56.7 | Low | 72 Ų | 72 | 122.1 Ų | 122.1 | 44% | 0.442 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.3 | -22.4 | -169.3 | -44.8 | 0 | 0 | 0 | 0 | 113.4 | T590 D595 | T590-T593 PolarHBondContact O-N 3Å; T593-D595 PolarHBondContact O-N 2.87Å |
| 594 | E | 49.1 | Very low | 59.2 | Low | 133 Ų | 133 | 118.6 Ų | 118.6 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 16 | 177.8 | -68.9 | 163.6 | -131.8 | 0 | 0 | 113.8 | T590 L598 | T590-E594 WeakPolarHBondContact CB-OE1 3.5Å; T590-E594 PolarHBondContact O-N 2.82Å; T590-E594 PolarHBondContact OG1-OE1 3.43Å; E594-L598 WeakPolarHBondContact O-CD1 3.42Å |
| 595 | D | 53.9 | Low | 61.8 | Low | 64 Ų | 64 | 117.1 Ų | 117.1 | 34% | 0.342 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.4 | 2.2 | -175.3 | -147.4 | 55 | 0 | 0 | 0 | 112.9 | T593 L598 K603 R606 | T593-D595 PolarHBondContact O-N 2.87Å; D595-L598 WeakPolarHBondContact OD1-CD1 3.38Å; D595-K603 VanDerWaalsContact CG-NZ 3.29Å; D595-K603 PolarHBondContact O-NZ 3.21Å; D595-K603 IonicContact OD1-NZ 2.83Å; D595-K603 WeakPolarHBondContact OD2-CE 3.34Å; D595-K603 IonicContact OD2-NZ 2.75Å; D595-K603 PolarHBondContact OD2-NZ 3.38Å; D595-R606 IonicContact OD1-NH1 2.71Å; D595-R606 PolarHBondContact OD1-NH1 3.17Å |
| 596 | E | 56.3 | Low | 64 | Low | 173 Ų | 173 | 111.1 Ų | 111.1 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -91.8 | -37.9 | 173.6 | -66.1 | -157.8 | 122.2 | 0 | 0 | 113.6 | L598 | E596-L598 PolarHBondContact O-N 3.02Š|
| 597 | D | 59.8 | Low | 66.7 | Low | 163 Ų | 163 | 108.4 Ų | 108.4 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -85.4 | 0.6 | -177.5 | -75.3 | -43.6 | 0 | 0 | 0 | 114.7 | | |
| 598 | L | 64.9 | Low | 68.9 | Low | 42 Ų | 42 | 111.2 Ų | 111.2 | 22% | 0.22 | 55% | 0.554 | C | S | . | * | S | Bend | trans | -78.4 | 127.9 | -179.1 | -66.4 | 169.7 | 0 | 0 | 0 | 111.3 | E594 D595 E596 | E594-L598 WeakPolarHBondContact O-CD1 3.42Å; D595-L598 WeakPolarHBondContact OD1-CD1 3.38Å; E596-L598 PolarHBondContact O-N 3.02Å |
| 599 | N | 78.1 | Confident | 71.9 | Confident | 73 Ų | 73 | 109 Ų | 109 | 39% | 0.39 | 54% | 0.543 | S | S | . | . | | | trans | -50.6 | 129.8 | 172.5 | 173.1 | 13.2 | 0 | 0 | 0 | 109.3 | E601 Q602 K603 | N599-E601 PolarHBondContact ND2-OE2 2.85Å; N599-E601 PolarHBondContact O-N 2.63Å; N599-E601 PolarHBondContact OD1-N 3.3Å; N599-Q602 HydrophobicContact CB-CG 4.2Å; N599-Q602 WeakPolarHBondContact O-CB 3.33Å; N599-Q602 PolarHBondContact O-N 2.87Å; N599-K603 PolarHBondContact O-N 3.04Å |
| 600 | P | 81.8 | Confident | 74.3 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -50.3 | -29.2 | -178.6 | 14.9 | -31.4 | 0 | 0 | 0 | 114.5 | K603 A604 | P600-K603 PolarHBondContact O-N 2.81Å; P600-A604 WeakPolarHBondContact O-CB 3.34Å; P600-A604 PolarHBondContact O-N 2.9Å |
| 601 | E | 85.9 | Confident | 77 | Confident | 142 Ų | 142 | 110.5 Ų | 110.5 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 172.5 | -173.1 | 173.8 | -150.4 | 0 | 0 | 113.3 | N599 K603 A604 E605 | N599-E601 PolarHBondContact ND2-OE2 2.85Å; N599-E601 PolarHBondContact O-N 2.63Å; N599-E601 PolarHBondContact OD1-N 3.3Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 3.24Å; E601-A604 WeakPolarHBondContact O-CB 3.46Å; E601-A604 PolarHBondContact O-N 3.28Å; E601-E605 PolarHBondContact O-N 2.85Å |
| 602 | Q | 89.7 | Confident | 79.5 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 175.6 | -65.9 | 173 | -35.1 | 0 | 0 | 111.4 | N599 E605 R606 | N599-Q602 HydrophobicContact CB-CG 4.2Å; N599-Q602 WeakPolarHBondContact O-CB 3.33Å; N599-Q602 PolarHBondContact O-N 2.87Å; Q602-E605 PolarHBondContact O-N 2.77Å; Q602-R606 WeakPolarHBondContact O-CB 3.29Å; Q602-R606 PolarHBondContact O-N 2.79Å |
| 603 | K | 90.8 | Very high | 81.7 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 39% | 0.391 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 176 | -160.6 | 164.1 | -164.8 | 159.9 | 0 | 111.8 | D595 N599 P600 E601 E607 | D595-K603 VanDerWaalsContact CG-NZ 3.29Å; D595-K603 PolarHBondContact O-NZ 3.21Å; D595-K603 IonicContact OD1-NZ 2.83Å; D595-K603 WeakPolarHBondContact OD2-CE 3.34Å; D595-K603 IonicContact OD2-NZ 2.75Å; D595-K603 PolarHBondContact OD2-NZ 3.38Å; N599-K603 PolarHBondContact O-N 3.04Å; P600-K603 PolarHBondContact O-N 2.81Å; E601-K603 VanDerWaalsContact C-N 3.29Å; E601-K603 PolarHBondContact O-N 3.24Å; K603-E607 PolarHBondContact O-N 3.16Å |
| 604 | A | 91.6 | Very high | 84.2 | Confident | 63 Ų | 63 | 105.7 Ų | 105.7 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P600 E601 E607 R608 | P600-A604 WeakPolarHBondContact O-CB 3.34Å; P600-A604 PolarHBondContact O-N 2.9Å; E601-A604 WeakPolarHBondContact O-CB 3.46Å; E601-A604 PolarHBondContact O-N 3.28Å; A604-E607 PolarHBondContact O-N 3.44Å; A604-R608 PolarHBondContact O-N 3.2Å |
| 605 | E | 93.7 | Very high | 86.5 | Confident | 72 Ų | 72 | 103.1 Ų | 103.1 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 178.9 | -167.5 | 56.6 | -141 | 0 | 0 | 111.8 | E601 Q602 E607 R608 E609 | E601-E605 PolarHBondContact O-N 2.85Å; Q602-E605 PolarHBondContact O-N 2.77Å; E605-E607 VanDerWaalsContact C-N 3.26Å; E605-E607 PolarHBondContact O-N 3.36Å; E605-R608 CarbonylContact O-C 3.51Å; E605-R608 WeakPolarHBondContact O-CA 3.29Å; E605-R608 VanDerWaalsContact O-CB 3.31Å; E605-R608 WeakPolarHBondContact O-CB 3.08Å; E605-R608 PolarHBondContact O-N 3.18Å; E605-R608 WeakPolarHBondContact OE1-CD 3.43Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.9Å; E605-R608 IonicContact OE1-NH1 3.82Å; E605-R608 PolarHBondContact OE1-NH1 3.45Å; E605-R608 WeakPolarHBondContact OE2-CD 3.41Å; E605-R608 IonicContact OE2-CZ 3.55Å; E605-R608 IonicContact OE2-NH1 2.7Å; E605-R608 PolarHBondContact OE2-NH1 2.85Å; E605-E609 PolarHBondContact O-N 3.24Å |
| 606 | R | 92.9 | Very high | 88.6 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.7 | -39.2 | 172.6 | -172.3 | -169.7 | -70.7 | 162 | -3.7 | 112.2 | D595 Q602 R610 | D595-R606 IonicContact OD1-NH1 2.71Å; D595-R606 PolarHBondContact OD1-NH1 3.17Å; Q602-R606 WeakPolarHBondContact O-CB 3.29Å; Q602-R606 PolarHBondContact O-N 2.79Å; R606-R610 WeakPolarHBondContact O-CB 3.31Å; R606-R610 PolarHBondContact O-N 3.43Å |
| 607 | E | 95.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 102.2 Ų | 102.2 | 23% | 0.234 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72.4 | -32.1 | 175.5 | 176.2 | 60.5 | -175.7 | 0 | 0 | 112.5 | K603 A604 E605 R610 R611 | K603-E607 PolarHBondContact O-N 3.16Å; A604-E607 PolarHBondContact O-N 3.44Å; E605-E607 VanDerWaalsContact C-N 3.26Å; E605-E607 PolarHBondContact O-N 3.36Å; E607-R610 VanDerWaalsContact CD-NH2 3.28Å; E607-R610 IonicContact OE1-CZ 3.67Å; E607-R610 IonicContact OE1-NE 3.9Å; E607-R610 IonicContact OE1-NH2 2.69Å; E607-R610 PolarHBondContact OE1-NH2 3.11Å; E607-R610 IonicContact OE2-CZ 2.86Å; E607-R610 VanDerWaalsContact OE2-CZ 3.23Å; E607-R610 IonicContact OE2-NE 3.77Å; E607-R610 PolarHBondContact OE2-NE 3.38Å; E607-R610 IonicContact OE2-NH2 2.59Å; E607-R610 PolarHBondContact OE2-NH2 3.42Å; E607-R611 VanDerWaalsContact CG-CZ 3.48Å; E607-R611 VanDerWaalsContact CG-NH2 3.33Å; E607-R611 WeakPolarHBondContact O-CB 3.45Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.35Å; E607-R611 PolarHBondContact O-N 3.15Å; E607-R611 IonicContact OE1-CZ 3.04Å; E607-R611 IonicContact OE1-NE 3.88Å; E607-R611 PolarHBondContact OE1-NE 2.86Å; E607-R611 IonicContact OE1-NH2 3.95Å; E607-R611 PolarHBondContact OE1-NH2 3.34Å |
| 608 | R | 96.8 | Very high | 92.5 | Very high | 138 Ų | 138 | 98.1 Ų | 98.1 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 170.7 | -178.5 | -179.1 | 166 | -131.8 | 2.7 | 110.7 | A604 E605 R610 R611 M612 | A604-R608 PolarHBondContact O-N 3.2Å; E605-R608 CarbonylContact O-C 3.51Å; E605-R608 WeakPolarHBondContact O-CA 3.29Å; E605-R608 VanDerWaalsContact O-CB 3.31Å; E605-R608 WeakPolarHBondContact O-CB 3.08Å; E605-R608 PolarHBondContact O-N 3.18Å; E605-R608 WeakPolarHBondContact OE1-CD 3.43Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.9Å; E605-R608 IonicContact OE1-NH1 3.82Å; E605-R608 PolarHBondContact OE1-NH1 3.45Å; E605-R608 WeakPolarHBondContact OE2-CD 3.41Å; E605-R608 IonicContact OE2-CZ 3.55Å; E605-R608 IonicContact OE2-NH1 2.7Å; E605-R608 PolarHBondContact OE2-NH1 2.85Å; R608-R610 PolarHBondContact O-N 3.48Å; R608-R611 PolarHBondContact O-N 3.39Å; R608-M612 HydrophobicContact CG-CE 4.16Å; R608-M612 HydrophobicContact CG-SD 4.44Å; R608-M612 WeakPolarHBondContact O-CG 3.34Å; R608-M612 PolarHBondContact O-N 3.21Å |
| 609 | E | 96.9 | Very high | 94.1 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 173.6 | -70.3 | -175 | 147.1 | 0 | 0 | 111.9 | E605 R611 M612 A613 | E605-E609 PolarHBondContact O-N 3.24Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.07Å; E609-M612 HydrophobicContact CG-CE 4.2Å; E609-M612 PolarHBondContact O-N 3.25Å; E609-M612 VanDerWaalsContact O-N 3.11Å; E609-A613 WeakPolarHBondContact O-CB 3.42Å; E609-A613 PolarHBondContact O-N 2.95Å |
| 610 | R | 97.5 | Very high | 95.1 | Very high | 158 Ų | 158 | 104.6 Ų | 104.6 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -40.8 | 177.1 | -166.1 | -176.7 | 69.8 | 105.2 | 2.9 | 111.6 | R606 E607 R608 N614 | R606-R610 WeakPolarHBondContact O-CB 3.31Å; R606-R610 PolarHBondContact O-N 3.43Å; E607-R610 VanDerWaalsContact CD-NH2 3.28Å; E607-R610 IonicContact OE1-CZ 3.67Å; E607-R610 IonicContact OE1-NE 3.9Å; E607-R610 IonicContact OE1-NH2 2.69Å; E607-R610 PolarHBondContact OE1-NH2 3.11Å; E607-R610 IonicContact OE2-CZ 2.86Å; E607-R610 VanDerWaalsContact OE2-CZ 3.23Å; E607-R610 IonicContact OE2-NE 3.77Å; E607-R610 PolarHBondContact OE2-NE 3.38Å; E607-R610 IonicContact OE2-NH2 2.59Å; E607-R610 PolarHBondContact OE2-NH2 3.42Å; R608-R610 PolarHBondContact O-N 3.48Å; R610-N614 VanDerWaalsContact O-CB 3.31Å; R610-N614 WeakPolarHBondContact O-CB 3.44Å; R610-N614 PolarHBondContact O-N 3.2Å |
| 611 | R | 98.2 | Very high | 95.9 | Very high | 160 Ų | 160 | 106.4 Ų | 106.4 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.5 | -40.8 | 175.3 | -71.9 | 170.5 | -171 | 171.6 | 6.7 | 112.5 | E607 R608 E609 N614 N615 | E607-R611 VanDerWaalsContact CG-CZ 3.48Å; E607-R611 VanDerWaalsContact CG-NH2 3.33Å; E607-R611 WeakPolarHBondContact O-CB 3.45Å; E607-R611 VanDerWaalsContact O-CG 3.24Å; E607-R611 WeakPolarHBondContact O-CG 3.35Å; E607-R611 PolarHBondContact O-N 3.15Å; E607-R611 IonicContact OE1-CZ 3.04Å; E607-R611 IonicContact OE1-NE 3.88Å; E607-R611 PolarHBondContact OE1-NE 2.86Å; E607-R611 IonicContact OE1-NH2 3.95Å; E607-R611 PolarHBondContact OE1-NH2 3.34Å; R608-R611 PolarHBondContact O-N 3.39Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.07Å; R611-N614 PolarHBondContact O-N 2.92Å; R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.4Å |
| 612 | M | 97.5 | Very high | 96.5 | Very high | 96 Ų | 96 | 102.6 Ų | 102.6 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175 | -69.7 | -171 | -61.5 | 0 | 0 | 111.3 | R608 E609 N614 N615 A616 | R608-M612 HydrophobicContact CG-CE 4.16Å; R608-M612 HydrophobicContact CG-SD 4.44Å; R608-M612 WeakPolarHBondContact O-CG 3.34Å; R608-M612 PolarHBondContact O-N 3.21Å; E609-M612 HydrophobicContact CG-CE 4.2Å; E609-M612 PolarHBondContact O-N 3.25Å; E609-M612 VanDerWaalsContact O-N 3.11Å; M612-N614 VanDerWaalsContact C-N 3.3Å; M612-N614 PolarHBondContact O-N 3.24Å; M612-N615 PolarHBondContact O-N 2.98Å; M612-A616 WeakPolarHBondContact O-CB 3.33Å; M612-A616 PolarHBondContact O-N 2.8Å |
| 613 | A | 97.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68 | -25.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E609 R617 | E609-A613 WeakPolarHBondContact O-CB 3.42Å; E609-A613 PolarHBondContact O-N 2.95Å; A613-R617 PolarHBondContact O-NE 3.13Å |
| 614 | N | 98.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 104.3 Ų | 104.3 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.4 | -46.8 | 170.1 | -174.2 | -84.9 | 0 | 0 | 0 | 111.2 | R610 R611 M612 A616 R617 E618 | R610-N614 VanDerWaalsContact O-CB 3.31Å; R610-N614 WeakPolarHBondContact O-CB 3.44Å; R610-N614 PolarHBondContact O-N 3.2Å; R611-N614 PolarHBondContact O-N 2.92Å; M612-N614 VanDerWaalsContact C-N 3.3Å; M612-N614 PolarHBondContact O-N 3.24Å; N614-A616 VanDerWaalsContact C-N 3.31Å; N614-A616 PolarHBondContact O-N 2.95Å; N614-R617 PolarHBondContact O-N 3.39Å; N614-R617 VanDerWaalsContact O-N 3.14Å; N614-E618 PolarHBondContact O-N 3.49Å |
| 615 | N | 98.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 104.9 Ų | 104.9 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.2 | -167.1 | -105.6 | 0 | 0 | 0 | 112.2 | R611 M612 E618 R619 | R611-N615 WeakPolarHBondContact O-CB 3.24Å; R611-N615 PolarHBondContact O-N 3.4Å; M612-N615 PolarHBondContact O-N 2.98Å; N615-E618 PolarHBondContact O-N 3.46Å; N615-R619 VanDerWaalsContact O-CG 3.28Å; N615-R619 WeakPolarHBondContact O-CG 3.47Å; N615-R619 PolarHBondContact O-N 3.33Å; N615-R619 PolarHBondContact OD1-NE 2.96Å; N615-R619 PolarHBondContact OD1-NH2 2.88Å |
| 616 | A | 98.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | M612 N614 R619 L620 | M612-A616 WeakPolarHBondContact O-CB 3.33Å; M612-A616 PolarHBondContact O-N 2.8Å; N614-A616 VanDerWaalsContact C-N 3.31Å; N614-A616 PolarHBondContact O-N 2.95Å; A616-R619 PolarHBondContact O-N 2.79Å; A616-L620 PolarHBondContact O-N 3.03Å; A616-L620 VanDerWaalsContact O-N 3.17Å |
| 617 | R | 98.7 | Very high | 98.1 | Very high | 168 Ų | 168 | 104.2 Ų | 104.2 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 178 | -80.9 | 178 | -86.8 | -158.5 | -5.7 | 112.7 | A613 N614 R619 L620 R621 | A613-R617 PolarHBondContact O-NE 3.13Å; N614-R617 PolarHBondContact O-N 3.39Å; N614-R617 VanDerWaalsContact O-N 3.14Å; R617-R619 VanDerWaalsContact C-N 3.35Å; R617-R619 PolarHBondContact O-N 3.25Å; R617-L620 PolarHBondContact O-N 2.92Å; R617-R621 PolarHBondContact O-N 2.86Å |
| 618 | E | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -32.8 | 176.8 | -169.1 | 61.3 | -157.1 | 0 | 0 | 112 | N614 N615 L620 R621 V622 | N614-E618 PolarHBondContact O-N 3.49Å; N615-E618 PolarHBondContact O-N 3.46Å; E618-L620 VanDerWaalsContact C-N 3.34Å; E618-L620 PolarHBondContact O-N 3.43Å; E618-R621 VanDerWaalsContact CD-NH1 3.34Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE1-CZ 2.72Å; E618-R621 IonicContact OE1-NH1 3.21Å; E618-R621 PolarHBondContact OE1-NH1 3.46Å; E618-R621 WeakPolarHBondContact OE2-CD 3.49Å; E618-R621 IonicContact OE2-CZ 3.66Å; E618-R621 IonicContact OE2-NE 2.99Å; E618-R621 IonicContact OE2-NH1 3.84Å; E618-R621 PolarHBondContact OE2-NH1 3.22Å; E618-V622 HydrophobicContact CG-CG2 4.33Å; E618-V622 WeakPolarHBondContact O-CB 3.43Å; E618-V622 VanDerWaalsContact O-CG2 3.27Å; E618-V622 WeakPolarHBondContact O-CG2 3.39Å; E618-V622 PolarHBondContact O-N 3.48Å |
| 619 | R | 98.5 | Very high | 98.4 | Very high | 171 Ų | 171 | 100.2 Ų | 100.2 | 65% | 0.645 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 171.4 | -75.8 | 177.8 | -163.2 | -139.8 | 5.7 | 112.9 | N615 A616 R617 R623 | N615-R619 VanDerWaalsContact O-CG 3.28Å; N615-R619 WeakPolarHBondContact O-CG 3.47Å; N615-R619 PolarHBondContact O-N 3.33Å; N615-R619 PolarHBondContact OD1-NE 2.96Å; N615-R619 PolarHBondContact OD1-NH2 2.88Å; A616-R619 PolarHBondContact O-N 2.79Å; R617-R619 VanDerWaalsContact C-N 3.35Å; R617-R619 PolarHBondContact O-N 3.25Å; R619-R623 PolarHBondContact O-N 3.43Å; R619-R623 VanDerWaalsContact O-N 3.14Å |
| 620 | L | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 102 Ų | 102 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -56.2 | 173.5 | -64.9 | 175.9 | 0 | 0 | 0 | 109.9 | A616 R617 E618 V622 R623 D624 | A616-L620 PolarHBondContact O-N 3.03Å; A616-L620 VanDerWaalsContact O-N 3.17Å; R617-L620 PolarHBondContact O-N 2.92Å; E618-L620 VanDerWaalsContact C-N 3.34Å; E618-L620 PolarHBondContact O-N 3.43Å; L620-V622 VanDerWaalsContact C-N 3.27Å; L620-V622 PolarHBondContact O-N 2.99Å; L620-V622 VanDerWaalsContact O-N 3.15Å; L620-R623 VanDerWaalsContact CD2-NH1 3.31Å; L620-R623 WeakPolarHBondContact O-CA 3.42Å; L620-R623 WeakPolarHBondContact O-CB 3.49Å; L620-R623 PolarHBondContact O-N 3.11Å; L620-D624 PolarHBondContact O-N 3.27Å |
| 621 | R | 98.8 | Very high | 98.4 | Very high | 141 Ų | 141 | 98.5 Ų | 98.5 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -52.2 | -41.9 | 178.4 | -173.2 | -164 | -179.7 | -160.2 | 1.1 | 113.3 | R617 E618 D624 I625 | R617-R621 PolarHBondContact O-N 2.86Å; E618-R621 VanDerWaalsContact CD-NH1 3.34Å; E618-R621 PolarHBondContact O-N 2.94Å; E618-R621 IonicContact OE1-CZ 2.72Å; E618-R621 IonicContact OE1-NH1 3.21Å; E618-R621 PolarHBondContact OE1-NH1 3.46Å; E618-R621 WeakPolarHBondContact OE2-CD 3.49Å; E618-R621 IonicContact OE2-CZ 3.66Å; E618-R621 IonicContact OE2-NE 2.99Å; E618-R621 IonicContact OE2-NH1 3.84Å; E618-R621 PolarHBondContact OE2-NH1 3.22Å; R621-D624 PolarHBondContact O-N 2.91Å; R621-I625 HydrophobicContact CG-CD1 4.07Å; R621-I625 WeakPolarHBondContact O-CB 3.21Å; R621-I625 WeakPolarHBondContact O-CD1 3.47Å; R621-I625 VanDerWaalsContact O-CG1 3.24Å; R621-I625 WeakPolarHBondContact O-CG1 3.33Å; R621-I625 PolarHBondContact O-N 3.5Å |
| 622 | V | 98.8 | Very high | 98.5 | Very high | 61 Ų | 61 | 93.7 Ų | 93.7 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 112 | E618 L620 N626 | E618-V622 HydrophobicContact CG-CG2 4.33Å; E618-V622 WeakPolarHBondContact O-CB 3.43Å; E618-V622 VanDerWaalsContact O-CG2 3.27Å; E618-V622 WeakPolarHBondContact O-CG2 3.39Å; E618-V622 PolarHBondContact O-N 3.48Å; L620-V622 VanDerWaalsContact C-N 3.27Å; L620-V622 PolarHBondContact O-N 2.99Å; L620-V622 VanDerWaalsContact O-N 3.15Å; V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.34Å; V622-N626 PolarHBondContact O-ND2 3.02Å; V622-N626 VanDerWaalsContact O-ND2 3.09Å; V622-N626 PolarHBondContact O-OD1 3Å |
| 623 | R | 98.6 | Very high | 98.5 | Very high | 146 Ų | 146 | 89.1 Ų | 89.1 | 55% | 0.551 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.7 | -49.6 | 172 | -172.4 | -164.8 | -60.3 | 153.4 | -0.6 | 110.6 | R619 L620 I625 N626 E627 | R619-R623 PolarHBondContact O-N 3.43Å; R619-R623 VanDerWaalsContact O-N 3.14Å; L620-R623 VanDerWaalsContact CD2-NH1 3.31Å; L620-R623 WeakPolarHBondContact O-CA 3.42Å; L620-R623 WeakPolarHBondContact O-CB 3.49Å; L620-R623 PolarHBondContact O-N 3.11Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 3.32Å; R623-N626 CarbonylContact O-C 3.56Å; R623-N626 WeakPolarHBondContact O-CA 3.4Å; R623-N626 WeakPolarHBondContact O-CB 3.18Å; R623-N626 PolarHBondContact O-N 3.47Å; R623-E627 PolarHBondContact O-N 3.33Å |
| 624 | D | 98.8 | Very high | 98.5 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | -176.9 | -48.6 | -23.7 | 0 | 0 | 0 | 110.9 | L620 R621 N626 E627 A628 | L620-D624 PolarHBondContact O-N 3.27Å; R621-D624 PolarHBondContact O-N 2.91Å; D624-N626 PolarHBondContact O-N 3.11Å; D624-E627 PolarHBondContact O-N 2.69Å; D624-A628 PolarHBondContact O-N 3.24Å |
| 625 | I | 98.8 | Very high | 98.4 | Very high | 74 Ų | 74 | 93.3 Ų | 93.3 | 38% | 0.379 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 171.9 | -70.3 | 166.5 | 0 | 0 | 0 | 111.2 | R621 R623 E627 F629 | R621-I625 HydrophobicContact CG-CD1 4.07Å; R621-I625 WeakPolarHBondContact O-CB 3.21Å; R621-I625 WeakPolarHBondContact O-CD1 3.47Å; R621-I625 VanDerWaalsContact O-CG1 3.24Å; R621-I625 WeakPolarHBondContact O-CG1 3.33Å; R621-I625 PolarHBondContact O-N 3.5Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 3.32Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 2.59Å; I625-F629 HydrophobicContact CG2-CD2 3.96Å; I625-F629 HydrophobicContact CG2-CE2 4.15Å; I625-F629 WeakPolarHBondContact O-CD2 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å |
| 626 | N | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 32% | 0.316 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.3 | -33.3 | 176.9 | -70.5 | -24.2 | 0 | 0 | 0 | 112.2 | V622 R623 D624 K630 K648 | V622-N626 WeakPolarHBondContact O-CB 3.3Å; V622-N626 PolarHBondContact O-N 3.34Å; V622-N626 PolarHBondContact O-ND2 3.02Å; V622-N626 VanDerWaalsContact O-ND2 3.09Å; V622-N626 PolarHBondContact O-OD1 3Å; R623-N626 CarbonylContact O-C 3.56Å; R623-N626 WeakPolarHBondContact O-CA 3.4Å; R623-N626 WeakPolarHBondContact O-CB 3.18Å; R623-N626 PolarHBondContact O-N 3.47Å; D624-N626 PolarHBondContact O-N 3.11Å; N626-K630 WeakPolarHBondContact O-CG 3.34Å; N626-K630 PolarHBondContact O-N 3.12Å; N626-K630 VanDerWaalsContact O-N 3.12Å; N626-K648 WeakPolarHBondContact OD1-CE 3.35Å; N626-K648 PolarHBondContact OD1-NZ 2.95Å |
| 627 | E | 98.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 90.8 Ų | 90.8 | 59% | 0.593 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.6 | -45.6 | 177.6 | -167.7 | 163.9 | 157.1 | 0 | 0 | 111.8 | R623 D624 I625 F629 K630 E631 | R623-E627 PolarHBondContact O-N 3.33Å; D624-E627 PolarHBondContact O-N 2.69Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 2.59Å; E627-F629 PolarHBondContact O-N 3.24Å; E627-K630 WeakPolarHBondContact O-CA 3.48Å; E627-K630 WeakPolarHBondContact O-CB 3.37Å; E627-K630 PolarHBondContact O-N 3.45Å; E627-E631 PolarHBondContact O-N 3.02Å |
| 628 | A | 98.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.9 | -37.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D624 E631 L632 | D624-A628 PolarHBondContact O-N 3.24Å; A628-E631 PolarHBondContact O-N 3.06Å; A628-L632 WeakPolarHBondContact O-CB 3.39Å; A628-L632 PolarHBondContact O-N 3.14Å |
| 629 | F | 98.6 | Very high | 98 | Very high | 40 Ų | 40 | 90.1 Ų | 90.1 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 172.2 | -98.2 | -70.9 | 0 | 0 | 0 | 113.2 | I625 E627 G633 K648 I651 L652 | I625-F629 HydrophobicContact CG2-CD2 3.96Å; I625-F629 HydrophobicContact CG2-CE2 4.15Å; I625-F629 WeakPolarHBondContact O-CD2 3.49Å; I625-F629 PolarHBondContact O-N 2.85Å; E627-F629 PolarHBondContact O-N 3.24Å; F629-G633 PolarHBondContact O-N 3.33Å; F629-K648 HydrophobicContact CD1-CB 4.09Å; F629-K648 HydrophobicContact CD1-CG 3.99Å; F629-K648 HydrophobicContact CD2-CD 3.98Å; F629-K648 HydrophobicContact CD2-CG 4.11Å; F629-K648 HydrophobicContact CE1-CB 3.78Å; F629-K648 HydrophobicContact CE1-CG 4.12Å; F629-K648 WeakPolarHBondContact CE1-O 3.45Å; F629-K648 HydrophobicContact CE2-CB 4.43Å; F629-K648 HydrophobicContact CE2-CD 3.97Å; F629-K648 HydrophobicContact CE2-CG 4.24Å; F629-K648 HydrophobicContact CG-CD 4.37Å; F629-K648 HydrophobicContact CG-CG 3.99Å; F629-K648 HydrophobicContact CZ-CB 3.97Å; F629-K648 HydrophobicContact CZ-CD 4.33Å; F629-K648 HydrophobicContact CZ-CG 4.25Å; F629-I651 HydrophobicContact CD1-CB 4.13Å; F629-I651 HydrophobicContact CD1-CD1 3.98Å; F629-I651 HydrophobicContact CD1-CG2 4.02Å; F629-I651 HydrophobicContact CE1-CB 4.33Å; F629-I651 HydrophobicContact CE1-CG2 4.36Å; F629-L652 HydrophobicContact CE1-CD2 3.89Å; F629-L652 HydrophobicContact CE1-CG 3.94Å; F629-L652 HydrophobicContact CZ-CD1 4.32Å; F629-L652 HydrophobicContact CZ-CD2 3.98Å; F629-L652 HydrophobicContact CZ-CG 4.11Å |
| 630 | K | 97.8 | Very high | 97.8 | Very high | 150 Ų | 150 | 85.3 Ų | 85.3 | 65% | 0.652 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | 176.1 | -72 | 170.3 | -178.7 | -179.9 | 0 | 111.9 | N626 E627 G633 R634 | N626-K630 WeakPolarHBondContact O-CG 3.34Å; N626-K630 PolarHBondContact O-N 3.12Å; N626-K630 VanDerWaalsContact O-N 3.12Å; E627-K630 WeakPolarHBondContact O-CA 3.48Å; E627-K630 WeakPolarHBondContact O-CB 3.37Å; E627-K630 PolarHBondContact O-N 3.45Å; K630-G633 PolarHBondContact O-N 2.85Å; K630-R634 PolarHBondContact O-N 3.49Å |
| 631 | E | 98.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 90.6 Ų | 90.6 | 40% | 0.397 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -53.3 | 175.5 | -174.4 | 57.6 | -112.6 | 0 | 0 | 111 | E627 A628 G633 R634 M635 | E627-E631 PolarHBondContact O-N 3.02Å; A628-E631 PolarHBondContact O-N 3.06Å; E631-G633 PolarHBondContact O-N 3.48Å; E631-R634 PolarHBondContact O-N 3.26Å; E631-R634 VanDerWaalsContact O-N 3.08Å; E631-R634 IonicContact OE1-CZ 3.9Å; E631-R634 IonicContact OE1-NH1 2.69Å; E631-R634 PolarHBondContact OE1-NH1 3.41Å; E631-R634 IonicContact OE1-NH2 2.74Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 VanDerWaalsContact OE2-CZ 3.26Å; E631-R634 IonicContact OE2-NH1 2.95Å; E631-R634 PolarHBondContact OE2-NH1 3.17Å; E631-R634 IonicContact OE2-NH2 3.23Å; E631-R634 PolarHBondContact OE2-NH2 3.45Å; E631-M635 PolarHBondContact O-N 3.15Å |
| 632 | L | 98.4 | Very high | 97 | Very high | 60 Ų | 60 | 85 Ų | 85 | 31% | 0.314 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | 176.6 | -177.8 | 61.6 | 0 | 0 | 0 | 111.8 | A628 M635 C636 I651 A655 | A628-L632 WeakPolarHBondContact O-CB 3.39Å; A628-L632 PolarHBondContact O-N 3.14Å; L632-M635 PolarHBondContact O-N 2.88Å; L632-C636 WeakPolarHBondContact O-CB 3.24Å; L632-C636 PolarHBondContact O-N 3.01Å; L632-C636 PolarHBondContact O-SG 3.36Å; L632-I651 HydrophobicContact CB-CG2 4.11Å; L632-I651 HydrophobicContact CD2-CG2 3.85Å; L632-I651 HydrophobicContact CG-CG2 3.69Å; L632-A655 HydrophobicContact CD1-CB 4.12Å; L632-A655 HydrophobicContact CD2-CB 4.32Å; L632-A655 HydrophobicContact CG-CB 4.43Å |
| 633 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.4 | -51.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F629 K630 E631 M635 C636 Q637 Q646 | F629-G633 PolarHBondContact O-N 3.33Å; K630-G633 PolarHBondContact O-N 2.85Å; E631-G633 PolarHBondContact O-N 3.48Å; G633-M635 PolarHBondContact O-N 2.69Å; G633-C636 PolarHBondContact O-N 2.88Å; G633-Q637 VanDerWaalsContact O-CB 3.31Å; G633-Q637 WeakPolarHBondContact O-CB 3.39Å; G633-Q637 PolarHBondContact O-N 3.38Å; G633-Q646 VanDerWaalsContact C-OE1 3.25Å; G633-Q646 PolarHBondContact O-NE2 2.81Å; G633-Q646 PolarHBondContact O-OE1 3.24Å |
| 634 | R | 97.2 | Very high | 96.2 | Very high | 134 Ų | 134 | 90.5 Ų | 90.5 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.5 | -78.1 | -164.9 | -82.1 | 85.9 | -1.4 | 112.5 | K630 E631 C636 Q637 L638 | K630-R634 PolarHBondContact O-N 3.49Å; E631-R634 PolarHBondContact O-N 3.26Å; E631-R634 VanDerWaalsContact O-N 3.08Å; E631-R634 IonicContact OE1-CZ 3.9Å; E631-R634 IonicContact OE1-NH1 2.69Å; E631-R634 PolarHBondContact OE1-NH1 3.41Å; E631-R634 IonicContact OE1-NH2 2.74Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 VanDerWaalsContact OE2-CZ 3.26Å; E631-R634 IonicContact OE2-NH1 2.95Å; E631-R634 PolarHBondContact OE2-NH1 3.17Å; E631-R634 IonicContact OE2-NH2 3.23Å; E631-R634 PolarHBondContact OE2-NH2 3.45Å; R634-C636 PolarHBondContact O-N 3Å; R634-Q637 PolarHBondContact O-N 3.09Å; R634-L638 PolarHBondContact O-N 3.49Å |
| 635 | M | 97.4 | Very high | 95.9 | Very high | 101 Ų | 101 | 91.8 Ų | 91.8 | 50% | 0.498 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 175.6 | -66.9 | -174.9 | 74.9 | 0 | 0 | 111.8 | E631 L632 G633 L638 H639 | E631-M635 PolarHBondContact O-N 3.15Å; L632-M635 PolarHBondContact O-N 2.88Å; G633-M635 PolarHBondContact O-N 2.69Å; M635-L638 PolarHBondContact O-N 3.23Å; M635-H639 PolarHBondContact O-CD2 3.24Å; M635-H639 PolarHBondContact O-N 3.16Å |
| 636 | C | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 91.1 Ų | 91.1 | 2% | 0.02 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | L632 G633 R634 H639 L640 Q654 A655 | L632-C636 WeakPolarHBondContact O-CB 3.24Å; L632-C636 PolarHBondContact O-N 3.01Å; L632-C636 PolarHBondContact O-SG 3.36Å; G633-C636 PolarHBondContact O-N 2.88Å; R634-C636 PolarHBondContact O-N 3Å; C636-H639 PolarHBondContact O-N 3.14Å; C636-L640 WeakPolarHBondContact O-CB 3.41Å; C636-L640 WeakPolarHBondContact O-CG 3.47Å; C636-L640 PolarHBondContact O-N 3.37Å; C636-Q654 HydrophobicContact CB-CB 3.91Å; C636-A655 WeakPolarHBondContact SG-CA 3.09Å |
| 637 | Q | 96.8 | Very high | 95.6 | Very high | 73 Ų | 73 | 92.3 Ų | 92.3 | 34% | 0.341 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177 | 171.5 | 163.4 | 72.7 | 0 | 0 | 111.9 | G633 R634 K641 S642 | G633-Q637 VanDerWaalsContact O-CB 3.31Å; G633-Q637 WeakPolarHBondContact O-CB 3.39Å; G633-Q637 PolarHBondContact O-N 3.38Å; R634-Q637 PolarHBondContact O-N 3.09Å; Q637-K641 VanDerWaalsContact O-CA 3.29Å; Q637-K641 WeakPolarHBondContact O-CA 3.24Å; Q637-K641 PolarHBondContact O-N 2.83Å; Q637-S642 WeakPolarHBondContact CG-O 3.14Å; Q637-S642 PolarHBondContact NE2-O 2.99Å; Q637-S642 PolarHBondContact O-N 3.06Å |
| 638 | L | 95.3 | Very high | 95.6 | Very high | 134 Ų | 134 | 91 Ų | 91 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.8 | -46.2 | 176.6 | -179.5 | 63.7 | 0 | 0 | 0 | 112.1 | R634 M635 | R634-L638 PolarHBondContact O-N 3.49Å; M635-L638 PolarHBondContact O-N 3.23Å |
| 639 | H | 95.6 | Very high | 95.5 | Very high | 96 Ų | 96 | 93.2 Ų | 93.2 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.6 | -36.8 | -179.3 | -79 | -74.3 | 0 | 0 | 0 | 113.7 | M635 C636 V658 | M635-H639 PolarHBondContact O-CD2 3.24Å; M635-H639 PolarHBondContact O-N 3.16Å; C636-H639 PolarHBondContact O-N 3.14Å; H639-V658 HydrophobicContact CB-CB 4.36Å; H639-V658 HydrophobicContact CB-CG1 3.7Å; H639-V658 HydrophobicContact CB-CG2 3.66Å |
| 640 | L | 94.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 93.8 Ų | 93.8 | 37% | 0.366 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -91 | -7.4 | -178.9 | -62.2 | 177.6 | 0 | 0 | 0 | 114.2 | C636 S642 Q654 V658 | C636-L640 WeakPolarHBondContact O-CB 3.41Å; C636-L640 WeakPolarHBondContact O-CG 3.47Å; C636-L640 PolarHBondContact O-N 3.37Å; L640-S642 PolarHBondContact O-N 2.88Å; L640-Q654 HydrophobicContact CD1-CB 3.56Å; L640-Q654 HydrophobicContact CD1-CG 3.53Å; L640-V658 HydrophobicContact CD1-CG2 4Å; L640-V658 HydrophobicContact CD2-CG2 3.77Å; L640-V658 HydrophobicContact CG-CG2 3.54Å |
| 641 | K | 92.6 | Very high | 95.5 | Very high | 192 Ų | 192 | 87.1 Ų | 87.1 | 84% | 0.835 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 41.2 | -174 | -56 | -179.6 | -178.3 | -179.6 | 0 | 112.2 | Q637 | Q637-K641 VanDerWaalsContact O-CA 3.29Å; Q637-K641 WeakPolarHBondContact O-CA 3.24Å; Q637-K641 PolarHBondContact O-N 2.83Å |
| 642 | S | 88.6 | Confident | 95.5 | Very high | 24 Ų | 24 | 87.2 Ų | 87.2 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | | | trans | -109.6 | 110.6 | -168.2 | -154.8 | 0 | 0 | 0 | 0 | 112.4 | Q637 L640 K644 | Q637-S642 WeakPolarHBondContact CG-O 3.14Å; Q637-S642 PolarHBondContact NE2-O 2.99Å; Q637-S642 PolarHBondContact O-N 3.06Å; L640-S642 PolarHBondContact O-N 2.88Å; S642-K644 PolarHBondContact O-N 3.26Å |
| 643 | E | 90.9 | Very high | 95.5 | Very high | 186 Ų | 186 | 90.1 Ų | 90.1 | 87% | 0.869 | 44% | 0.441 | S | S | * | . | | | trans | -83.1 | 14.7 | 178.1 | -152 | 176.3 | 178.2 | 0 | 0 | 113.3 | | |
| 644 | K | 89.2 | Confident | 95.4 | Very high | 135 Ų | 135 | 90.7 Ų | 90.7 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71.5 | 138.9 | -179.7 | -67.6 | -179 | 178.6 | -179.8 | 0 | 110.6 | S642 Q646 | S642-K644 PolarHBondContact O-N 3.26Å; K644-Q646 PolarHBondContact O-N 2.98Å |
| 645 | P | 91.7 | Very high | 95.5 | Very high | 120 Ų | 120 | 85 Ų | 85 | 78% | 0.779 | 43% | 0.425 | S | S | * | . | | | trans | -59.4 | 124.7 | 175.9 | 24.8 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 646 | Q | 93.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 28% | 0.28 | 43% | 0.426 | S | S | . | . | | | trans | -92.4 | 109 | -169.5 | -81.5 | -178.7 | -28.7 | 0 | 0 | 112.3 | G633 K644 I651 | G633-Q646 VanDerWaalsContact C-OE1 3.25Å; G633-Q646 PolarHBondContact O-NE2 2.81Å; G633-Q646 PolarHBondContact O-OE1 3.24Å; K644-Q646 PolarHBondContact O-N 2.98Å; Q646-I651 HydrophobicContact CB-CD1 3.96Å; Q646-I651 HydrophobicContact CB-CG1 3.75Å; Q646-I651 HydrophobicContact CG-CG1 4.06Å |
| 647 | T | 97.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 86.4 Ų | 86.4 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | | | trans | -82.2 | 156.8 | 162.5 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | L649 L650 I651 | T647-L649 VanDerWaalsContact C-N 3.26Å; T647-L649 PolarHBondContact O-N 3.49Å; T647-L650 PolarHBondContact O-N 2.83Å; T647-L650 WeakPolarHBondContact OG1-CB 3.5Å; T647-L650 PolarHBondContact OG1-N 3.11Å; T647-I651 WeakPolarHBondContact O-CG1 3.37Å; T647-I651 PolarHBondContact O-N 3.28Å |
| 648 | K | 98.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 83.6 Ų | 83.6 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.7 | -45.5 | 176.4 | -69.5 | -173.7 | 176 | -176.2 | 0 | 112.8 | N626 F629 I651 L652 | N626-K648 WeakPolarHBondContact OD1-CE 3.35Å; N626-K648 PolarHBondContact OD1-NZ 2.95Å; F629-K648 HydrophobicContact CD1-CB 4.09Å; F629-K648 HydrophobicContact CD1-CG 3.99Å; F629-K648 HydrophobicContact CD2-CD 3.98Å; F629-K648 HydrophobicContact CD2-CG 4.11Å; F629-K648 HydrophobicContact CE1-CB 3.78Å; F629-K648 HydrophobicContact CE1-CG 4.12Å; F629-K648 WeakPolarHBondContact CE1-O 3.45Å; F629-K648 HydrophobicContact CE2-CB 4.43Å; F629-K648 HydrophobicContact CE2-CD 3.97Å; F629-K648 HydrophobicContact CE2-CG 4.24Å; F629-K648 HydrophobicContact CG-CD 4.37Å; F629-K648 HydrophobicContact CG-CG 3.99Å; F629-K648 HydrophobicContact CZ-CB 3.97Å; F629-K648 HydrophobicContact CZ-CD 4.33Å; F629-K648 HydrophobicContact CZ-CG 4.25Å; K648-I651 PolarHBondContact O-N 3.03Å; K648-L652 WeakPolarHBondContact O-CG 3.36Å; K648-L652 PolarHBondContact O-N 2.87Å; K648-L652 VanDerWaalsContact O-N 3.11Å |
| 649 | L | 98 | Very high | 95.7 | Very high | 110 Ų | 110 | 81.6 Ų | 81.6 | 58% | 0.576 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 178 | -178.1 | 61 | 0 | 0 | 0 | 112 | T647 I651 L652 H653 | T647-L649 VanDerWaalsContact C-N 3.26Å; T647-L649 PolarHBondContact O-N 3.49Å; L649-I651 VanDerWaalsContact C-N 3.35Å; L649-I651 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 2.96Å; L649-H653 PolarHBondContact O-CD2 2.74Å; L649-H653 PolarHBondContact O-N 2.98Å; L649-H653 VanDerWaalsContact O-N 3.11Å |
| 650 | L | 97.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 81.8 Ų | 81.8 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.9 | -177.7 | 59 | 0 | 0 | 0 | 111.7 | T647 L652 H653 Q654 | T647-L650 PolarHBondContact O-N 2.83Å; T647-L650 WeakPolarHBondContact OG1-CB 3.5Å; T647-L650 PolarHBondContact OG1-N 3.11Å; L650-L652 VanDerWaalsContact C-N 3.34Å; L650-L652 PolarHBondContact O-N 2.91Å; L650-H653 PolarHBondContact O-N 3.44Å; L650-Q654 HydrophobicContact CD1-CG 4.1Å; L650-Q654 HydrophobicContact CG-CG 4.25Å; L650-Q654 WeakPolarHBondContact O-CB 3.45Å; L650-Q654 VanDerWaalsContact O-CG 3.24Å; L650-Q654 WeakPolarHBondContact O-CG 3.2Å; L650-Q654 PolarHBondContact O-N 2.86Å |
| 651 | I | 98.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.051 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 175.5 | -64.5 | 161.5 | 0 | 0 | 0 | 110.6 | F629 L632 Q646 T647 K648 L649 Q654 A655 | F629-I651 HydrophobicContact CD1-CB 4.13Å; F629-I651 HydrophobicContact CD1-CD1 3.98Å; F629-I651 HydrophobicContact CD1-CG2 4.02Å; F629-I651 HydrophobicContact CE1-CB 4.33Å; F629-I651 HydrophobicContact CE1-CG2 4.36Å; L632-I651 HydrophobicContact CB-CG2 4.11Å; L632-I651 HydrophobicContact CD2-CG2 3.85Å; L632-I651 HydrophobicContact CG-CG2 3.69Å; Q646-I651 HydrophobicContact CB-CD1 3.96Å; Q646-I651 HydrophobicContact CB-CG1 3.75Å; Q646-I651 HydrophobicContact CG-CG1 4.06Å; T647-I651 WeakPolarHBondContact O-CG1 3.37Å; T647-I651 PolarHBondContact O-N 3.28Å; K648-I651 PolarHBondContact O-N 3.03Å; L649-I651 VanDerWaalsContact C-N 3.35Å; L649-I651 PolarHBondContact O-N 3.2Å; I651-Q654 PolarHBondContact O-N 2.85Å; I651-A655 WeakPolarHBondContact O-CB 3.42Å; I651-A655 PolarHBondContact O-N 2.78Å |
| 652 | L | 98.4 | Very high | 96.1 | Very high | 87 Ų | 87 | 75.8 Ų | 75.8 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176.3 | -64.3 | 178.6 | 0 | 0 | 0 | 112.3 | F629 K648 L649 L650 Q654 A655 V656 | F629-L652 HydrophobicContact CE1-CD2 3.89Å; F629-L652 HydrophobicContact CE1-CG 3.94Å; F629-L652 HydrophobicContact CZ-CD1 4.32Å; F629-L652 HydrophobicContact CZ-CD2 3.98Å; F629-L652 HydrophobicContact CZ-CG 4.11Å; K648-L652 WeakPolarHBondContact O-CG 3.36Å; K648-L652 PolarHBondContact O-N 2.87Å; K648-L652 VanDerWaalsContact O-N 3.11Å; L649-L652 PolarHBondContact O-N 2.96Å; L650-L652 VanDerWaalsContact C-N 3.34Å; L650-L652 PolarHBondContact O-N 2.91Å; L652-Q654 VanDerWaalsContact C-N 3.33Å; L652-Q654 PolarHBondContact O-N 3.2Å; L652-A655 PolarHBondContact O-N 2.59Å; L652-V656 WeakPolarHBondContact O-CG2 3.41Å; L652-V656 PolarHBondContact O-N 2.69Å; L652-V656 VanDerWaalsContact O-N 3.13Å |
| 653 | H | 97.5 | Very high | 96.4 | Very high | 121 Ų | 121 | 79 Ų | 79 | 56% | 0.56 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 175.9 | -71.4 | -60.2 | 0 | 0 | 0 | 112.6 | L649 L650 A657 | L649-H653 PolarHBondContact O-CD2 2.74Å; L649-H653 PolarHBondContact O-N 2.98Å; L649-H653 VanDerWaalsContact O-N 3.11Å; L650-H653 PolarHBondContact O-N 3.44Å; H653-A657 PolarHBondContact O-N 3.43Å; H653-A657 VanDerWaalsContact O-N 3.14Å |
| 654 | Q | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 175.4 | -74.6 | -177.7 | -3.4 | 0 | 0 | 111.8 | C636 L640 L650 I651 L652 V656 A657 V658 | C636-Q654 HydrophobicContact CB-CB 3.91Å; L640-Q654 HydrophobicContact CD1-CB 3.56Å; L640-Q654 HydrophobicContact CD1-CG 3.53Å; L650-Q654 HydrophobicContact CD1-CG 4.1Å; L650-Q654 HydrophobicContact CG-CG 4.25Å; L650-Q654 WeakPolarHBondContact O-CB 3.45Å; L650-Q654 VanDerWaalsContact O-CG 3.24Å; L650-Q654 WeakPolarHBondContact O-CG 3.2Å; L650-Q654 PolarHBondContact O-N 2.86Å; I651-Q654 PolarHBondContact O-N 2.85Å; L652-Q654 VanDerWaalsContact C-N 3.33Å; L652-Q654 PolarHBondContact O-N 3.2Å; Q654-V656 PolarHBondContact O-N 2.98Å; Q654-A657 PolarHBondContact O-N 2.91Å; Q654-V658 WeakPolarHBondContact O-CG2 3.43Å; Q654-V658 PolarHBondContact O-N 2.99Å |
| 655 | A | 98.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 71.1 Ų | 71.1 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L632 C636 I651 L652 A657 V658 I659 | L632-A655 HydrophobicContact CD1-CB 4.12Å; L632-A655 HydrophobicContact CD2-CB 4.32Å; L632-A655 HydrophobicContact CG-CB 4.43Å; C636-A655 WeakPolarHBondContact SG-CA 3.09Å; I651-A655 WeakPolarHBondContact O-CB 3.42Å; I651-A655 PolarHBondContact O-N 2.78Å; L652-A655 PolarHBondContact O-N 2.59Å; A655-A657 PolarHBondContact O-N 2.95Å; A655-V658 PolarHBondContact O-N 3.34Å; A655-I659 VanDerWaalsContact O-CG1 3.28Å; A655-I659 WeakPolarHBondContact O-CG1 3.28Å; A655-I659 PolarHBondContact O-N 2.72Å |
| 656 | V | 98.4 | Very high | 97 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | L652 Q654 V658 I659 L660 | L652-V656 WeakPolarHBondContact O-CG2 3.41Å; L652-V656 PolarHBondContact O-N 2.69Å; L652-V656 VanDerWaalsContact O-N 3.13Å; Q654-V656 PolarHBondContact O-N 2.98Å; V656-V658 PolarHBondContact O-N 3.23Å; V656-I659 PolarHBondContact O-N 3.04Å; V656-L660 HydrophobicContact CG1-CD1 3.82Å; V656-L660 HydrophobicContact CG1-CG 4.37Å; V656-L660 WeakPolarHBondContact O-CB 3.27Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.31Å; V656-L660 PolarHBondContact O-N 3.03Å |
| 657 | A | 97.4 | Very high | 96.9 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H653 Q654 A655 S661 | H653-A657 PolarHBondContact O-N 3.43Å; H653-A657 VanDerWaalsContact O-N 3.14Å; Q654-A657 PolarHBondContact O-N 2.91Å; A655-A657 PolarHBondContact O-N 2.95Å; A657-S661 WeakPolarHBondContact O-CB 3.35Å; A657-S661 PolarHBondContact O-N 2.66Å; A657-S661 VanDerWaalsContact O-N 3.12Å |
| 658 | V | 98.1 | Very high | 96.4 | Very high | 14 Ų | 14 | 74 Ų | 74 | 9% | 0.085 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -48 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 111 | H639 L640 Q654 A655 V656 S661 L662 | H639-V658 HydrophobicContact CB-CB 4.36Å; H639-V658 HydrophobicContact CB-CG1 3.7Å; H639-V658 HydrophobicContact CB-CG2 3.66Å; L640-V658 HydrophobicContact CD1-CG2 4Å; L640-V658 HydrophobicContact CD2-CG2 3.77Å; L640-V658 HydrophobicContact CG-CG2 3.54Å; Q654-V658 WeakPolarHBondContact O-CG2 3.43Å; Q654-V658 PolarHBondContact O-N 2.99Å; A655-V658 PolarHBondContact O-N 3.34Å; V656-V658 PolarHBondContact O-N 3.23Å; V658-S661 PolarHBondContact O-N 3.26Å; V658-L662 HydrophobicContact CG1-CD1 3.68Å; V658-L662 HydrophobicContact CG1-CG 4.29Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.15Å; V658-L662 PolarHBondContact O-N 2.74Å |
| 659 | I | 98.1 | Very high | 95.6 | Very high | 92 Ų | 92 | 77.1 Ų | 77.1 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -52.4 | 179.5 | -69.4 | 164.4 | 0 | 0 | 0 | 110.3 | A655 V656 S661 L662 E663 | A655-I659 VanDerWaalsContact O-CG1 3.28Å; A655-I659 WeakPolarHBondContact O-CG1 3.28Å; A655-I659 PolarHBondContact O-N 2.72Å; V656-I659 PolarHBondContact O-N 3.04Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.7Å; I659-L662 PolarHBondContact O-N 2.82Å; I659-E663 HydrophobicContact CG2-CG 4.22Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.24Å; I659-E663 WeakPolarHBondContact O-CB 3.47Å; I659-E663 WeakPolarHBondContact O-CG 3.46Å; I659-E663 PolarHBondContact O-N 2.86Å |
| 660 | L | 97.5 | Very high | 94.4 | Very high | 101 Ų | 101 | 77.5 Ų | 77.5 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | -179.7 | -68.4 | 172.3 | 0 | 0 | 0 | 112.8 | V656 Q664 | V656-L660 HydrophobicContact CG1-CD1 3.82Å; V656-L660 HydrophobicContact CG1-CG 4.37Å; V656-L660 WeakPolarHBondContact O-CB 3.27Å; V656-L660 VanDerWaalsContact O-CG 3.32Å; V656-L660 WeakPolarHBondContact O-CG 3.31Å; V656-L660 PolarHBondContact O-N 3.03Å; L660-Q664 VanDerWaalsContact O-CB 3.32Å; L660-Q664 WeakPolarHBondContact O-CB 3.41Å; L660-Q664 PolarHBondContact O-N 2.96Å |
| 661 | S | 96.6 | Very high | 92.9 | Very high | 73 Ų | 73 | 81.3 Ų | 81.3 | 51% | 0.51 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 176 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | A657 V658 I659 Q664 Q665 | A657-S661 WeakPolarHBondContact O-CB 3.35Å; A657-S661 PolarHBondContact O-N 2.66Å; A657-S661 VanDerWaalsContact O-N 3.12Å; V658-S661 PolarHBondContact O-N 3.26Å; I659-S661 VanDerWaalsContact C-N 3.3Å; I659-S661 PolarHBondContact O-N 2.7Å; S661-Q664 PolarHBondContact O-N 3.17Å; S661-Q665 WeakPolarHBondContact O-CB 3.36Å; S661-Q665 PolarHBondContact O-N 2.95Å |
| 662 | L | 96.3 | Very high | 91.1 | Very high | 63 Ų | 63 | 85.2 Ų | 85.2 | 33% | 0.33 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 177.5 | -69 | 175 | 0 | 0 | 0 | 111.8 | V658 I659 Q664 Q665 V666 | V658-L662 HydrophobicContact CG1-CD1 3.68Å; V658-L662 HydrophobicContact CG1-CG 4.29Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.15Å; V658-L662 PolarHBondContact O-N 2.74Å; I659-L662 PolarHBondContact O-N 2.82Å; L662-Q664 PolarHBondContact O-N 2.76Å; L662-Q665 PolarHBondContact O-N 3.21Å; L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.31Å; L662-V666 PolarHBondContact O-N 3.46Å |
| 663 | E | 95.9 | Very high | 89.3 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 173.9 | -79.9 | -173.8 | -169.8 | 0 | 0 | 111.9 | I659 V666 R667 | I659-E663 HydrophobicContact CG2-CG 4.22Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.24Å; I659-E663 WeakPolarHBondContact O-CB 3.47Å; I659-E663 WeakPolarHBondContact O-CG 3.46Å; I659-E663 PolarHBondContact O-N 2.86Å; E663-V666 PolarHBondContact O-N 3.41Å; E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.42Å; E663-R667 PolarHBondContact O-N 3.47Å; E663-R667 IonicContact OE2-NH2 3.91Å |
| 664 | Q | 95 | Very high | 87.4 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 36% | 0.355 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 177.7 | -179 | 59.4 | 17.4 | 0 | 0 | 111.2 | L660 S661 L662 V666 R667 E668 | L660-Q664 VanDerWaalsContact O-CB 3.32Å; L660-Q664 WeakPolarHBondContact O-CB 3.41Å; L660-Q664 PolarHBondContact O-N 2.96Å; S661-Q664 PolarHBondContact O-N 3.17Å; L662-Q664 PolarHBondContact O-N 2.76Å; Q664-V666 VanDerWaalsContact C-N 3.32Å; Q664-V666 PolarHBondContact O-N 2.94Å; Q664-R667 WeakPolarHBondContact O-CB 3.36Å; Q664-R667 PolarHBondContact O-N 3.41Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.48Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.4Å; Q664-E668 WeakPolarHBondContact O-CG 3.01Å; Q664-E668 PolarHBondContact O-N 3.29Å |
| 665 | Q | 93.4 | Very high | 85.6 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 37% | 0.369 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.5 | -171.8 | -179.6 | 105 | 0 | 0 | 112.5 | S661 L662 R669 | S661-Q665 WeakPolarHBondContact O-CB 3.36Å; S661-Q665 PolarHBondContact O-N 2.95Å; L662-Q665 PolarHBondContact O-N 3.21Å; Q665-R669 WeakPolarHBondContact O-CB 3.43Å; Q665-R669 WeakPolarHBondContact O-CG 3.43Å; Q665-R669 PolarHBondContact O-N 2.71Å |
| 666 | V | 94.6 | Very high | 83.7 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 173.5 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | L662 E663 Q664 R669 N670 | L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.25Å; L662-V666 WeakPolarHBondContact O-CG2 3.31Å; L662-V666 PolarHBondContact O-N 3.46Å; E663-V666 PolarHBondContact O-N 3.41Å; Q664-V666 VanDerWaalsContact C-N 3.32Å; Q664-V666 PolarHBondContact O-N 2.94Å; V666-R669 PolarHBondContact O-N 3.32Å; V666-N670 WeakPolarHBondContact O-CB 3.47Å; V666-N670 PolarHBondContact O-N 3.26Å; V666-N670 PolarHBondContact O-ND2 3.39Å |
| 667 | R | 91.2 | Very high | 81.8 | Confident | 126 Ų | 126 | 91 Ų | 91 | 48% | 0.475 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.6 | -172.5 | -179.8 | -64 | 120.9 | 3.9 | 111.5 | E663 Q664 L671 | E663-R667 VanDerWaalsContact O-CB 3.23Å; E663-R667 WeakPolarHBondContact O-CB 3.42Å; E663-R667 PolarHBondContact O-N 3.47Å; E663-R667 IonicContact OE2-NH2 3.91Å; Q664-R667 WeakPolarHBondContact O-CB 3.36Å; Q664-R667 PolarHBondContact O-N 3.41Å; R667-L671 PolarHBondContact O-N 3.04Å; R667-L671 VanDerWaalsContact O-N 3.1Å |
| 668 | E | 87.9 | Confident | 79.8 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -47.7 | 176.3 | -74.4 | 170.6 | -169.8 | 0 | 0 | 112.5 | Q664 N670 L671 | Q664-E668 WeakPolarHBondContact CG-OE1 3.48Å; Q664-E668 PolarHBondContact NE2-OE1 3.42Å; Q664-E668 WeakPolarHBondContact O-CB 3.4Å; Q664-E668 WeakPolarHBondContact O-CG 3.01Å; Q664-E668 PolarHBondContact O-N 3.29Å; E668-N670 VanDerWaalsContact C-N 3.29Å; E668-N670 PolarHBondContact O-N 3.41Å; E668-L671 WeakPolarHBondContact O-CB 3.32Å; E668-L671 PolarHBondContact O-N 3.24Å; E668-L671 VanDerWaalsContact O-N 3.15Å |
| 669 | R | 82.6 | Confident | 77.8 | Confident | 165 Ų | 165 | 100 Ų | 100 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -28.5 | 178.4 | -73.3 | -162.8 | -167.1 | 107.3 | 4.8 | 113.8 | Q665 V666 | Q665-R669 WeakPolarHBondContact O-CB 3.43Å; Q665-R669 WeakPolarHBondContact O-CG 3.43Å; Q665-R669 PolarHBondContact O-N 2.71Å; V666-R669 PolarHBondContact O-N 3.32Å |
| 670 | N | 72.9 | Confident | 75.9 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -88.2 | -5.8 | 175.7 | -72.5 | -76.5 | 0 | 0 | 0 | 113.3 | V666 E668 N672 | V666-N670 WeakPolarHBondContact O-CB 3.47Å; V666-N670 PolarHBondContact O-N 3.26Å; V666-N670 PolarHBondContact O-ND2 3.39Å; E668-N670 VanDerWaalsContact C-N 3.29Å; E668-N670 PolarHBondContact O-N 3.41Å; N670-N672 PolarHBondContact O-N 3.44Å |
| 671 | L | 66.1 | Low | 73.9 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 70% | 0.696 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -74.6 | 93.4 | 173.7 | -127.1 | 72.1 | 0 | 0 | 0 | 110.2 | R667 E668 | R667-L671 PolarHBondContact O-N 3.04Å; R667-L671 VanDerWaalsContact O-N 3.1Å; E668-L671 WeakPolarHBondContact O-CB 3.32Å; E668-L671 PolarHBondContact O-N 3.24Å; E668-L671 VanDerWaalsContact O-N 3.15Å |
| 672 | N | 58.3 | Low | 71.8 | Confident | 93 Ų | 93 | 111 Ų | 111 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | | | trans | 65.6 | 86.3 | 175.2 | -169.3 | 2.5 | 0 | 0 | 0 | 115.2 | N670 K674 A675 A676 | N670-N672 PolarHBondContact O-N 3.44Å; N672-K674 PolarHBondContact O-N 3.49Å; N672-K674 VanDerWaalsContact O-N 3.07Å; N672-K674 WeakPolarHBondContact OD1-CB 3.44Å; N672-K674 PolarHBondContact OD1-N 3.15Å; N672-K674 VanDerWaalsContact OD1-N 3.14Å; N672-A675 HydrophobicContact CB-CB 4.17Å; N672-A675 WeakPolarHBondContact O-CB 3.23Å; N672-A675 PolarHBondContact O-N 3.19Å; N672-A675 PolarHBondContact OD1-N 3.08Å; N672-A676 PolarHBondContact O-N 3.24Å |
| 673 | P | 62 | Low | 69.7 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.4 | -20.3 | 176 | 23.9 | -34.2 | 0 | 0 | 0 | 114.2 | C677 | P673-C677 WeakPolarHBondContact O-CB 3.49Å; P673-C677 PolarHBondContact O-N 2.85Å; P673-C677 VanDerWaalsContact O-N 3.09Å |
| 674 | K | 56.4 | Low | 67.4 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 73% | 0.726 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.4 | -36.2 | 172.7 | -64.1 | -176.1 | 176.3 | -179.7 | 0 | 111.7 | N672 C677 L678 | N672-K674 PolarHBondContact O-N 3.49Å; N672-K674 VanDerWaalsContact O-N 3.07Å; N672-K674 WeakPolarHBondContact OD1-CB 3.44Å; N672-K674 PolarHBondContact OD1-N 3.15Å; N672-K674 VanDerWaalsContact OD1-N 3.14Å; K674-C677 PolarHBondContact O-N 3.3Å; K674-L678 WeakPolarHBondContact O-CB 3.31Å; K674-L678 PolarHBondContact O-N 3.46Å |
| 675 | A | 60 | Low | 65.3 | Low | 48 Ų | 48 | 120.1 Ų | 120.1 | 40% | 0.397 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.6 | -44.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N672 C677 L678 K679 | N672-A675 HydrophobicContact CB-CB 4.17Å; N672-A675 WeakPolarHBondContact O-CB 3.23Å; N672-A675 PolarHBondContact O-N 3.19Å; N672-A675 PolarHBondContact OD1-N 3.08Å; A675-C677 VanDerWaalsContact C-N 3.26Å; A675-C677 PolarHBondContact O-N 3.38Å; A675-L678 PolarHBondContact O-N 3.42Å; A675-K679 PolarHBondContact O-N 2.99Å |
| 676 | A | 58.7 | Low | 62.9 | Low | 53 Ų | 53 | 121.9 Ų | 121.9 | 44% | 0.438 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.3 | -31 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N672 | N672-A676 PolarHBondContact O-N 3.24Å |
| 677 | C | 58.9 | Low | 60.5 | Low | 78 Ų | 78 | 123.3 Ų | 123.3 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.4 | -35.4 | 174.3 | -156.9 | 0 | 0 | 0 | 0 | 112.7 | P673 K674 A675 R681 | P673-C677 WeakPolarHBondContact O-CB 3.49Å; P673-C677 PolarHBondContact O-N 2.85Å; P673-C677 VanDerWaalsContact O-N 3.09Å; K674-C677 PolarHBondContact O-N 3.3Å; A675-C677 VanDerWaalsContact C-N 3.26Å; A675-C677 PolarHBondContact O-N 3.38Å; C677-R681 PolarHBondContact O-N 2.57Å |
| 678 | L | 56.1 | Low | 58.2 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -47.2 | 174.1 | -111 | 137.1 | 0 | 0 | 0 | 111.9 | K674 A675 R680 R681 E682 | K674-L678 WeakPolarHBondContact O-CB 3.31Å; K674-L678 PolarHBondContact O-N 3.46Å; A675-L678 PolarHBondContact O-N 3.42Å; L678-R680 PolarHBondContact O-N 3.05Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 WeakPolarHBondContact O-CA 3.44Å; L678-R681 WeakPolarHBondContact O-CB 3.33Å; L678-R681 PolarHBondContact O-N 2.84Å; L678-E682 PolarHBondContact O-N 2.89Å |
| 679 | K | 55.1 | Low | 55.8 | Low | 126 Ų | 126 | 119.7 Ų | 119.7 | 55% | 0.548 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -60.2 | -41.4 | 179.7 | -177.2 | 167.8 | 175 | 171.5 | 0 | 112.7 | A675 R681 E682 E683 | A675-K679 PolarHBondContact O-N 2.99Å; K679-R681 PolarHBondContact O-N 2.9Å; K679-E682 WeakPolarHBondContact O-CB 3.24Å; K679-E682 PolarHBondContact O-N 3.45Å; K679-E683 WeakPolarHBondContact CE-OE1 3.44Å; K679-E683 WeakPolarHBondContact CG-OE1 3.04Å; K679-E683 IonicContact NZ-OE1 3.77Å; K679-E683 PolarHBondContact O-N 3.41Å; K679-E683 VanDerWaalsContact O-N 3.11Å |
| 680 | R | 58.2 | Low | 53.4 | Low | 185 Ų | 185 | 117.6 Ų | 117.6 | 70% | 0.698 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.1 | -17.2 | 174.1 | -72.6 | -166.6 | -64.2 | 168.9 | 2.5 | 114.2 | L678 | L678-R680 PolarHBondContact O-N 3.05Å |
| 681 | R | 54.8 | Low | 51.6 | Low | 182 Ų | 182 | 117.5 Ų | 117.5 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -95.4 | -19.6 | 174.9 | -158 | 178.2 | -165.8 | -172.7 | 5.1 | 113.2 | C677 L678 K679 | C677-R681 PolarHBondContact O-N 2.57Å; L678-R681 CarbonylContact O-C 3.43Å; L678-R681 WeakPolarHBondContact O-CA 3.44Å; L678-R681 WeakPolarHBondContact O-CB 3.33Å; L678-R681 PolarHBondContact O-N 2.84Å; K679-R681 PolarHBondContact O-N 2.9Å |
| 682 | E | 52.5 | Low | 49.9 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.8 | -48.1 | 171 | -176.3 | -175 | 162.9 | 0 | 0 | 110.4 | L678 K679 E684 K685 V686 | L678-E682 PolarHBondContact O-N 2.89Å; K679-E682 WeakPolarHBondContact O-CB 3.24Å; K679-E682 PolarHBondContact O-N 3.45Å; E682-E684 VanDerWaalsContact C-N 3.3Å; E682-E684 PolarHBondContact O-N 2.75Å; E682-K685 PolarHBondContact O-N 2.69Å; E682-V686 PolarHBondContact O-N 2.81Å; E682-V686 VanDerWaalsContact O-N 3.15Å |
| 683 | E | 52.3 | Low | 48.8 | Very low | 110 Ų | 110 | 118 Ų | 118 | 51% | 0.514 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -63.1 | -34.1 | 179.2 | -69.3 | 172.7 | -161.7 | 0 | 0 | 112.5 | K679 K685 | K679-E683 WeakPolarHBondContact CE-OE1 3.44Å; K679-E683 WeakPolarHBondContact CG-OE1 3.04Å; K679-E683 IonicContact NZ-OE1 3.77Å; K679-E683 PolarHBondContact O-N 3.41Å; K679-E683 VanDerWaalsContact O-N 3.11Å; E683-K685 VanDerWaalsContact C-N 3.3Å; E683-K685 PolarHBondContact O-N 3.42Å |
| 684 | E | 48.4 | Very low | 47.5 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65 | -31.1 | 171.8 | -168.9 | -177.3 | -167.4 | 0 | 0 | 112.6 | E682 | E682-E684 VanDerWaalsContact C-N 3.3Å; E682-E684 PolarHBondContact O-N 2.75Å |
| 685 | K | 50.1 | Low | 46.5 | Very low | 165 Ų | 165 | 122 Ų | 122 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -86 | -22.3 | -178.6 | -80.7 | -160.1 | 167.7 | -157.9 | 0 | 114.8 | E682 E683 | E682-K685 PolarHBondContact O-N 2.69Å; E683-K685 VanDerWaalsContact C-N 3.3Å; E683-K685 PolarHBondContact O-N 3.42Å |
| 686 | V | 44.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.9 | -12 | -179.8 | 85.4 | 0 | 0 | 0 | 0 | 113.6 | E682 | E682-V686 PolarHBondContact O-N 2.81Å; E682-V686 VanDerWaalsContact O-N 3.15Å |
| 687 | S | 43 | Very low | 43.8 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -84.8 | -9 | 172.6 | -159.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 688 | G | 42.3 | Very low | 42.7 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -89.8 | -2.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 689 | S | 39.3 | Very low | 41.5 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | -143.2 | 63.5 | -168.8 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 690 | S | 31.5 | Very low | 40.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | -136.9 | 85.9 | 155.9 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 691 | S | 34.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -68.4 | 134.5 | 172.3 | 52.1 | 0 | 0 | 0 | 0 | 111 | | |
| 692 | D | 30 | Very low | 39.2 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | trans | -105.4 | 156.5 | 143.9 | -155.8 | -8.3 | 0 | 0 | 0 | 108.4 | | |
| 693 | A | 36.8 | Very low | 38.1 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 57% | 0.57 | 75% | 0.753 | S | S | * | * | | | trans | -123.9 | 157.2 | -158.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 694 | Q | 34.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 79.8 | 148.4 | 170.9 | -48 | -175.6 | -88.8 | 0 | 0 | 114.8 | | |
| 695 | Q | 34.1 | Very low | 36.9 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | cis | -151.6 | 135.1 | 14.5 | -154.5 | 158.4 | -23 | 0 | 0 | 113.5 | | |
| 696 | G | 30.9 | Very low | 36.1 | Very low | 61 Ų | 61 | 123.7 Ų | 123.7 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | 56 | 128.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 697 | H | 31.6 | Very low | 36.1 | Very low | 197 Ų | 197 | 124.1 Ų | 124.1 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | | | | -169 | 167.9 | 108.1 | -97 | -66.7 | 0 | 0 | 0 | 111.1 | | |
| 698 | T | 35.1 | Very low | 36 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | -105.3 | 142.3 | -163.1 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 699 | G | 31.2 | Very low | 36.2 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -157 | 84.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 700 | V | 32.6 | Very low | 37 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -51.2 | 134 | -176.8 | 176.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 701 | H | 38.4 | Very low | 37.2 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -85.1 | 147.7 | 157.9 | -103.4 | -80.5 | 0 | 0 | 0 | 110.7 | | |
| 702 | P | 48.5 | Very low | 37.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | | -151.7 | 147.5 | 118.3 | 35.8 | -18.7 | 0 | 0 | 0 | 117.1 | | |
| 703 | G | 30.9 | Very low | 37.9 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | 82.5 | 160.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 704 | L | 38.7 | Very low | 38.2 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | cis | -163.7 | 154.3 | -7.7 | -110 | 172.4 | 0 | 0 | 0 | 109.2 | | |
| 705 | T | 37.1 | Very low | 38.3 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | 59.1 | 161.5 | 159.7 | 48.5 | 0 | 0 | 0 | 0 | 119 | | |
| 706 | D | 33.3 | Very low | 38.6 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | cis | -154.5 | 173.3 | -42.1 | -151.4 | -48.2 | 0 | 0 | 0 | 107.4 | | |
| 707 | T | 42.8 | Very low | 39 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | | | trans | -49.7 | 137.3 | 173.4 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 708 | S | 42.6 | Very low | 39.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -168.8 | 117.2 | 143.2 | 35.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 709 | N | 46.7 | Very low | 39.7 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -154.4 | 106.4 | 161.6 | -176.2 | 36.3 | 0 | 0 | 0 | 109.8 | | |
| 710 | P | 55.7 | Low | 40.3 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | -134.5 | 119.6 | 174.2 | 34.6 | -16.6 | 0 | 0 | 0 | 114.5 | | |
| 711 | M | 36.2 | Very low | 40.8 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | 62.4 | 154.4 | 163.9 | -96.1 | 49 | 72 | 0 | 0 | 117.4 | | |
| 712 | G | 42.3 | Very low | 41 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | | | cis | 150.2 | 162.3 | -2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 713 | H | 36.4 | Very low | 40.4 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | 63.7 | 144 | -166.4 | -86.7 | -86.2 | 0 | 0 | 0 | 114.2 | | |
| 714 | L | 42.1 | Very low | 41.2 | Very low | 228 Ų | 228 | 142.6 Ų | 142.6 | 100% | 1.194 | 81% | 0.812 | S | S | * | * | | | cis | -115.1 | 0 | 0.7 | -99.5 | 160.9 | 0 | 0 | 0 | 111.3 | | |