| 1 | M | 37.1 | Very low | 33.5 | Very low | 233 Ų | 233 | 151.5 Ų | 151.5 | 100% | 1.148 | 88% | 0.877 | S | S | * | * | | | | 0 | 97.5 | 0 | -73.6 | 178.9 | -159.7 | 0 | 0 | 108.3 | | |
| 2 | F | 32.9 | Very low | 34.5 | Very low | 219 Ų | 219 | 152.6 Ų | 152.6 | 96% | 0.961 | 87% | 0.874 | S | S | * | * | | | trans | -151.3 | 116.5 | 156.1 | -94.7 | -76.7 | 0 | 0 | 0 | 106.4 | | |
| 3 | C | 32.6 | Very low | 35.5 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 90% | 0.899 | 85% | 0.853 | S | S | * | * | | | trans | -65.3 | 141.5 | -178.5 | -78 | 0 | 0 | 0 | 0 | 111.3 | | |
| 4 | G | 25.5 | Very low | 36.6 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 86% | 0.855 | S | S | * | * | | | trans | -69 | 148.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 5 | L | 34.6 | Very low | 37.3 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | | | trans | -128 | 93.2 | 155.6 | -97.2 | 162.9 | 0 | 0 | 0 | 106.9 | | |
| 6 | E | 31 | Very low | 38.1 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -62.3 | 136.5 | 164.7 | -67.2 | 173.1 | 105.6 | 0 | 0 | 110.3 | | |
| 7 | S | 31.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | 40.5 | 102.8 | 134.8 | -51.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 8 | K | 34.4 | Very low | 39.6 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | | | trans | -146.4 | 76 | 140.5 | -73.1 | -165.2 | 179.3 | 171.5 | 0 | 111.5 | S10 | K8-S10 PolarHBondContact O-N 3.33Š|
| 9 | S | 32.6 | Very low | 40.4 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -81.4 | 91.5 | 159.9 | 60.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 10 | S | 34.9 | Very low | 41.1 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -173.2 | 86.1 | 169.3 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | K8 | K8-S10 PolarHBondContact O-N 3.33Š|
| 11 | A | 42.2 | Very low | 41.8 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -160.6 | 6.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 12 | I | 44.7 | Very low | 42.8 | Very low | 165 Ų | 165 | 132 Ų | 132 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -103.4 | -6.2 | -165.6 | -41.8 | -179.8 | 0 | 0 | 0 | 113.5 | | |
| 13 | D | 47.1 | Very low | 44.1 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 59% | 0.594 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.1 | 1.1 | -170.4 | -132.3 | -94.9 | 0 | 0 | 0 | 116.4 | R108 | D13-R108 IonicContact OD1-CZ 3.52Å; D13-R108 IonicContact OD1-NH1 3.38Å; D13-R108 PolarHBondContact OD1-NH1 3.43Å; D13-R108 IonicContact OD1-NH2 3.45Å; D13-R108 PolarHBondContact OD1-NH2 3.27Å; D13-R108 IonicContact OD2-NH1 2.78Å; D13-R108 PolarHBondContact OD2-NH1 3.33Å |
| 14 | E | 50.9 | Low | 45.4 | Very low | 189 Ų | 189 | 127.2 Ų | 127.2 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97.7 | -2.7 | -174.5 | -69.8 | -167.4 | 118.1 | 0 | 0 | 115.5 | | |
| 15 | N | 48.1 | Very low | 47 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -96.5 | -4.3 | -174.5 | -97.5 | -25.9 | 0 | 0 | 0 | 115.7 | | |
| 16 | S | 49.9 | Very low | 47.9 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.7 | -29.9 | -173.8 | -168.9 | 0 | 0 | 0 | 0 | 114 | | |
| 17 | G | 50.2 | Low | 49.1 | Very low | 51 Ų | 51 | 119.7 Ų | 119.7 | 53% | 0.526 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -83.7 | -19.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | M19 | G17-M19 VanDerWaalsContact C-N 3.31Å; G17-M19 PolarHBondContact O-N 3.49Å |
| 18 | R | 52.2 | Low | 50.2 | Low | 177 Ų | 177 | 120.1 Ų | 120.1 | 67% | 0.668 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.3 | -20.4 | -175.5 | -141.7 | 175.8 | 177.2 | -169 | -1.5 | 112.7 | L22 | R18-L22 WeakPolarHBondContact O-CG 3.38Å; R18-L22 PolarHBondContact O-N 3.18Å |
| 19 | M | 55.2 | Low | 50.9 | Low | 110 Ų | 110 | 113 Ų | 113 | 54% | 0.542 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -77.8 | -36.9 | -179.6 | -152 | -178.1 | -56.4 | 0 | 0 | 112.3 | G17 L22 L23 | G17-M19 VanDerWaalsContact C-N 3.31Å; G17-M19 PolarHBondContact O-N 3.49Å; M19-L22 PolarHBondContact O-N 3.12Å; M19-L23 WeakPolarHBondContact O-CG 3.5Å; M19-L23 PolarHBondContact O-N 3.38Å |
| 20 | E | 55.1 | Low | 51.5 | Low | 147 Ų | 147 | 114.8 Ų | 114.8 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -34 | 176 | -74.7 | -176.2 | 135.4 | 0 | 0 | 112.2 | L23 K24 | E20-L23 PolarHBondContact O-N 2.97Å; E20-K24 WeakPolarHBondContact O-CB 3.39Å; E20-K24 PolarHBondContact O-N 3.26Å |
| 21 | E | 55 | Low | 52.1 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 50% | 0.5 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.9 | -33.6 | 175.5 | -144 | -165.2 | 140.6 | 0 | 0 | 112.2 | K25 | E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 WeakPolarHBondContact O-CD 3.43Å; E21-K25 VanDerWaalsContact O-CG 3.31Å; E21-K25 WeakPolarHBondContact O-CG 3.32Å; E21-K25 PolarHBondContact O-N 3.23Å; E21-K25 IonicContact OE1-NZ 2.73Å; E21-K25 PolarHBondContact OE1-NZ 3.23Å |
| 22 | L | 58.8 | Low | 52.1 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 42% | 0.424 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.8 | -39.8 | 171.7 | -74.6 | 169.4 | 0 | 0 | 0 | 111.8 | R18 M19 L26 | R18-L22 WeakPolarHBondContact O-CG 3.38Å; R18-L22 PolarHBondContact O-N 3.18Å; M19-L22 PolarHBondContact O-N 3.12Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-L26 VanDerWaalsContact O-N 3.11Å |
| 23 | L | 59.9 | Low | 52.1 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -38.7 | 174.9 | -75.4 | 161.4 | 0 | 0 | 0 | 111.8 | M19 E20 L26 S27 | M19-L23 WeakPolarHBondContact O-CG 3.5Å; M19-L23 PolarHBondContact O-N 3.38Å; E20-L23 PolarHBondContact O-N 2.97Å; L23-L26 PolarHBondContact O-N 3.28Å; L23-S27 PolarHBondContact O-N 3.18Å; L23-S27 VanDerWaalsContact O-N 3.07Å; L23-S27 PolarHBondContact O-OG 3.26Å |
| 24 | K | 59.4 | Low | 52.1 | Low | 155 Ų | 155 | 117 Ų | 117 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -40.9 | 178.1 | -131.4 | 170.5 | -174 | 174.5 | 0 | 112.6 | E20 L26 S27 T28 | E20-K24 WeakPolarHBondContact O-CB 3.39Å; E20-K24 PolarHBondContact O-N 3.26Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 3Å; K24-S27 VanDerWaalsContact CA-OG 3.31Å; K24-S27 WeakPolarHBondContact CA-OG 3.31Å; K24-S27 PolarHBondContact O-N 3.2Å; K24-S27 PolarHBondContact O-OG 2.83Å; K24-T28 PolarHBondContact O-N 2.82Å; K24-T28 PolarHBondContact O-OG1 3.45Å |
| 25 | K | 58.4 | Low | 51.5 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 54% | 0.543 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.1 | -27.8 | 174.4 | -76.6 | 167.5 | 170.7 | 161.7 | 0 | 112.8 | E21 | E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 WeakPolarHBondContact O-CD 3.43Å; E21-K25 VanDerWaalsContact O-CG 3.31Å; E21-K25 WeakPolarHBondContact O-CG 3.32Å; E21-K25 PolarHBondContact O-N 3.23Å; E21-K25 IonicContact OE1-NZ 2.73Å; E21-K25 PolarHBondContact OE1-NZ 3.23Å |
| 26 | L | 54.9 | Low | 51.2 | Low | 58 Ų | 58 | 113.5 Ų | 113.5 | 30% | 0.304 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.9 | -29.8 | 173.5 | -77.2 | 164.4 | 0 | 0 | 0 | 113.1 | L22 L23 K24 S29 I53 | L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.28Å; K24-L26 VanDerWaalsContact C-N 3.27Å; K24-L26 PolarHBondContact O-N 3Å; L26-S29 PolarHBondContact O-OG 3.08Å; L26-I53 HydrophobicContact CD1-CD1 4.34Å |
| 27 | S | 55.7 | Low | 50.5 | Low | 82 Ų | 82 | 114.4 Ų | 114.4 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79 | -19 | 177.2 | 47.1 | 0 | 0 | 0 | 0 | 114.6 | L23 K24 | L23-S27 PolarHBondContact O-N 3.18Å; L23-S27 VanDerWaalsContact O-N 3.07Å; L23-S27 PolarHBondContact O-OG 3.26Å; K24-S27 VanDerWaalsContact CA-OG 3.31Å; K24-S27 WeakPolarHBondContact CA-OG 3.31Å; K24-S27 PolarHBondContact O-N 3.2Å; K24-S27 PolarHBondContact O-OG 2.83Å |
| 28 | T | 54 | Low | 50.2 | Low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -97.1 | -8.2 | 177.6 | 33.9 | 0 | 0 | 0 | 0 | 114.3 | K24 H30 | K24-T28 PolarHBondContact O-N 2.82Å; K24-T28 PolarHBondContact O-OG1 3.45Å; T28-H30 PolarHBondContact O-N 3.46Å |
| 29 | S | 49.1 | Very low | 49.6 | Very low | 61 Ų | 61 | 119 Ų | 119 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -86.7 | 88.5 | 169.7 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | L26 | L26-S29 PolarHBondContact O-OG 3.08Š|
| 30 | H | 45 | Very low | 48.8 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | | | trans | 35.9 | 93.3 | 148.9 | -134.4 | -94.7 | 0 | 0 | 0 | 116.4 | T28 G32 | T28-H30 PolarHBondContact O-N 3.46Å; H30-G32 PolarHBondContact O-N 3.49Å |
| 31 | I | 48.9 | Very low | 48 | Very low | 178 Ų | 178 | 119.6 Ų | 119.6 | 91% | 0.913 | 65% | 0.652 | S | S | * | * | | | trans | -75.6 | 55.9 | 166.2 | -52.7 | 167.6 | 0 | 0 | 0 | 108.5 | | |
| 32 | G | 40.8 | Very low | 47.4 | Very low | 35 Ų | 35 | 119.9 Ų | 119.9 | 36% | 0.361 | 67% | 0.666 | S | S | . | * | | | trans | -135.8 | 119.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | H30 | H30-G32 PolarHBondContact O-N 3.49Š|
| 33 | E | 45.4 | Very low | 46.8 | Very low | 184 Ų | 184 | 125 Ų | 125 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | | | trans | 69.8 | 80.4 | 171.4 | -68.9 | 165.5 | 115.7 | 0 | 0 | 115.8 | D35 | E33-D35 PolarHBondContact O-N 3.22Š|
| 34 | C | 46.7 | Very low | 46.3 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | | | trans | -72.4 | 77.8 | 144.5 | -65.9 | 0 | 0 | 0 | 0 | 107.9 | S36 | C34-S36 PolarHBondContact O-N 3.33Š|
| 35 | D | 39.6 | Very low | 46.1 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 66% | 0.658 | 67% | 0.671 | S | S | * | * | | | trans | -71.7 | 122.5 | 165.9 | -164.5 | 0.9 | 0 | 0 | 0 | 108.4 | E33 T37 | E33-D35 PolarHBondContact O-N 3.22Å; D35-T37 PolarHBondContact O-N 2.96Å |
| 36 | S | 41.5 | Very low | 46.1 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | | | trans | -85.8 | 79.5 | -171.9 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | C34 | C34-S36 PolarHBondContact O-N 3.33Š|
| 37 | T | 35.9 | Very low | 46.4 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 64% | 0.644 | 68% | 0.68 | S | S | * | * | | | trans | -150 | 83.7 | 170.6 | 43.1 | 0 | 0 | 0 | 0 | 111.2 | D35 | D35-T37 PolarHBondContact O-N 2.96Š|
| 38 | D | 43 | Very low | 47.1 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | | | trans | -132.7 | 73.9 | 157.3 | -136.9 | -52 | 0 | 0 | 0 | 106.4 | | |
| 39 | E | 38.6 | Very low | 47.3 | Very low | 175 Ų | 175 | 120.9 Ų | 120.9 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | | | trans | -65.5 | 134.6 | 160 | -66.1 | -96.6 | 106 | 0 | 0 | 106.7 | | |
| 40 | E | 38.5 | Very low | 47.9 | Very low | 196 Ų | 196 | 122.3 Ų | 122.3 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | | | trans | 80.3 | 64.1 | 179.4 | -58.1 | -167 | 90.1 | 0 | 0 | 118 | | |
| 41 | A | 40.1 | Very low | 48.7 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | | | trans | -132.2 | 103.7 | 153 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 42 | S | 41.4 | Very low | 49.4 | Very low | 113 Ų | 113 | 115 Ų | 115 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -21.3 | 132.4 | 165 | 50.5 | 0 | 0 | 0 | 0 | 115.4 | G44 | S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 WeakPolarHBondContact O-CA 3.46Å; S42-G44 PolarHBondContact O-N 3Å |
| 43 | E | 46.4 | Very low | 50.4 | Low | 189 Ų | 189 | 116.2 Ų | 116.2 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -22.7 | 76.2 | 177.9 | -64.4 | 177.1 | 128.7 | 0 | 0 | 115.6 | | |
| 44 | G | 49.8 | Very low | 51 | Low | 49 Ų | 49 | 110.4 Ų | 110.4 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | | | trans | -122.8 | 126.7 | -174 | 0 | 0 | 0 | 0 | 0 | 110 | S42 H46 | S42-G44 VanDerWaalsContact C-N 3.3Å; S42-G44 WeakPolarHBondContact O-CA 3.46Å; S42-G44 PolarHBondContact O-N 3Å; G44-H46 PolarHBondContact O-N 3.38Å |
| 45 | V | 55.6 | Low | 51.8 | Low | 52 Ų | 52 | 105.3 Ų | 105.3 | 32% | 0.315 | 58% | 0.577 | S | S | . | * | | | trans | -54 | 110.3 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | L47 D75 | V45-L47 HydrophobicContact CG1-CD2 3.93Å; V45-L47 HydrophobicContact CG1-CG 4.13Å; V45-L47 PolarHBondContact O-N 2.78Å; V45-D75 HydrophobicContact CG1-CB 4.31Å |
| 46 | H | 57.8 | Low | 52.9 | Low | 170 Ų | 170 | 103.4 Ų | 103.4 | 79% | 0.787 | 58% | 0.578 | S | S | * | * | | | trans | -73.9 | 92.4 | 177.7 | -107.8 | -90 | 0 | 0 | 0 | 110 | G44 | G44-H46 PolarHBondContact O-N 3.38Š|
| 47 | L | 60.4 | Low | 53.7 | Low | 48 Ų | 48 | 102.2 Ų | 102.2 | 25% | 0.251 | 58% | 0.575 | S | S | . | * | | | trans | -84.2 | 140.2 | 174.6 | -63.3 | 166.6 | 0 | 0 | 0 | 111.5 | V45 C51 R52 L62 | V45-L47 HydrophobicContact CG1-CD2 3.93Å; V45-L47 HydrophobicContact CG1-CG 4.13Å; V45-L47 PolarHBondContact O-N 2.78Å; L47-C51 HydrophobicContact CB-CB 4.05Å; L47-C51 HydrophobicContact CD2-CB 4.3Å; L47-R52 HydrophobicContact CB-CG 3.68Å; L47-R52 HydrophobicContact CD1-CG 4.27Å; L47-R52 PolarHBondContact O-NE 3.46Å; L47-L62 HydrophobicContact CD1-CD1 3.08Å; L47-L62 HydrophobicContact CD2-CD1 3.53Å; L47-L62 HydrophobicContact CG-CD1 3.81Å |
| 48 | C | 70.2 | Confident | 54.8 | Low | 63 Ų | 63 | 100.1 Ų | 100.1 | 43% | 0.426 | 57% | 0.565 | S | S | . | * | | | trans | -58 | 152.9 | 168.9 | 86.2 | 0 | 0 | 0 | 0 | 111.4 | T50 C51 R52 | C48-T50 VanDerWaalsContact C-N 3.28Å; C48-T50 PolarHBondContact O-N 3.01Å; C48-C51 HydrophobicContact CB-CB 4.14Å; C48-C51 WeakPolarHBondContact CB-SG 3.26Å; C48-C51 WeakPolarHBondContact O-CA 3.21Å; C48-C51 VanDerWaalsContact O-CB 3.24Å; C48-C51 WeakPolarHBondContact O-CB 3.19Å; C48-C51 PolarHBondContact O-N 3.4Å; C48-C51 WeakPolarHBondContact SG-CB 3.13Å; C48-C51 PolarHBondContact SG-N 3.33Å; C48-C51 CovalentContact SG-SG 2.07Å; C48-C51 PolarHBondContact SG-SG 3.16Å; C48-R52 PolarHBondContact O-N 3.07Å |
| 49 | R | 59.8 | Low | 55.3 | Low | 165 Ų | 165 | 94 Ų | 94 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -54 | -44 | 179.8 | -76.6 | -173.3 | 179 | -178.1 | 1.5 | 112.2 | C51 R52 I53 | R49-C51 VanDerWaalsContact C-N 3.3Å; R49-C51 PolarHBondContact O-N 2.9Å; R49-R52 PolarHBondContact O-N 3.39Å; R49-I53 VanDerWaalsContact O-CG1 3.3Å; R49-I53 WeakPolarHBondContact O-CG1 2.97Å; R49-I53 PolarHBondContact O-N 3.35Å |
| 50 | T | 60.5 | Low | 56 | Low | 91 Ų | 91 | 88.5 Ų | 88.5 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -40.6 | 175.7 | -43.2 | 0 | 0 | 0 | 0 | 112.1 | C48 I53 S54 | C48-T50 VanDerWaalsContact C-N 3.28Å; C48-T50 PolarHBondContact O-N 3.01Å; T50-I53 PolarHBondContact O-N 3.05Å; T50-S54 PolarHBondContact O-N 2.94Å |
| 51 | C | 62.8 | Low | 57 | Low | 44 Ų | 44 | 86.5 Ų | 86.5 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 179.3 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | L47 C48 R49 I53 S54 V55 | L47-C51 HydrophobicContact CB-CB 4.05Å; L47-C51 HydrophobicContact CD2-CB 4.3Å; C48-C51 HydrophobicContact CB-CB 4.14Å; C48-C51 WeakPolarHBondContact CB-SG 3.26Å; C48-C51 WeakPolarHBondContact O-CA 3.21Å; C48-C51 VanDerWaalsContact O-CB 3.24Å; C48-C51 WeakPolarHBondContact O-CB 3.19Å; C48-C51 PolarHBondContact O-N 3.4Å; C48-C51 WeakPolarHBondContact SG-CB 3.13Å; C48-C51 PolarHBondContact SG-N 3.33Å; C48-C51 CovalentContact SG-SG 2.07Å; C48-C51 PolarHBondContact SG-SG 3.16Å; R49-C51 VanDerWaalsContact C-N 3.3Å; R49-C51 PolarHBondContact O-N 2.9Å; C51-I53 PolarHBondContact O-N 3.32Å; C51-S54 PolarHBondContact O-N 3.3Å; C51-S54 PolarHBondContact O-OG 3.25Å; C51-V55 WeakPolarHBondContact O-CG2 3.4Å; C51-V55 PolarHBondContact O-N 3.44Å |
| 52 | R | 63.2 | Low | 57.8 | Low | 142 Ų | 142 | 86 Ų | 86 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.9 | -68.5 | -174.2 | -179.8 | -174.8 | -3.3 | 112.2 | L47 C48 R49 V55 A56 | L47-R52 HydrophobicContact CB-CG 3.68Å; L47-R52 HydrophobicContact CD1-CG 4.27Å; L47-R52 PolarHBondContact O-NE 3.46Å; C48-R52 PolarHBondContact O-N 3.07Å; R49-R52 PolarHBondContact O-N 3.39Å; R52-V55 PolarHBondContact O-N 3.25Å; R52-A56 WeakPolarHBondContact O-CB 3.42Å; R52-A56 PolarHBondContact O-N 3.48Å |
| 53 | I | 61.5 | Low | 58.4 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 32% | 0.318 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.1 | -65.6 | 164.9 | 0 | 0 | 0 | 110.4 | L26 R49 T50 C51 V55 A56 A57 | L26-I53 HydrophobicContact CD1-CD1 4.34Å; R49-I53 VanDerWaalsContact O-CG1 3.3Å; R49-I53 WeakPolarHBondContact O-CG1 2.97Å; R49-I53 PolarHBondContact O-N 3.35Å; T50-I53 PolarHBondContact O-N 3.05Å; C51-I53 PolarHBondContact O-N 3.32Å; I53-V55 PolarHBondContact O-N 3.11Å; I53-A56 PolarHBondContact O-N 2.73Å; I53-A57 WeakPolarHBondContact O-CB 3.17Å; I53-A57 PolarHBondContact O-N 3.28Å |
| 54 | S | 58.7 | Low | 58.7 | Low | 61 Ų | 61 | 81 Ų | 81 | 43% | 0.427 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.2 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | T50 C51 A56 A57 S58 | T50-S54 PolarHBondContact O-N 2.94Å; C51-S54 PolarHBondContact O-N 3.3Å; C51-S54 PolarHBondContact O-OG 3.25Å; S54-A56 PolarHBondContact O-N 2.78Å; S54-A57 PolarHBondContact O-N 2.91Å; S54-S58 PolarHBondContact O-N 3.37Å; S54-S58 PolarHBondContact O-OG 3.3Å |
| 55 | V | 62 | Low | 59 | Low | 32 Ų | 32 | 84.1 Ų | 84.1 | 19% | 0.194 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | C51 R52 I53 G59 Y60 L62 | C51-V55 WeakPolarHBondContact O-CG2 3.4Å; C51-V55 PolarHBondContact O-N 3.44Å; R52-V55 PolarHBondContact O-N 3.25Å; I53-V55 PolarHBondContact O-N 3.11Å; V55-G59 PolarHBondContact O-N 3.49Å; V55-G59 VanDerWaalsContact O-N 3.17Å; V55-Y60 WeakPolarHBondContact CG1-O 3.3Å; V55-Y60 PolarHBondContact O-N 3.02Å; V55-L62 HydrophobicContact CG1-CD1 4.41Å; V55-L62 HydrophobicContact CG1-CG 4.5Å; V55-L62 HydrophobicContact CG2-CD1 3.82Å; V55-L62 HydrophobicContact CG2-CG 4.14Å |
| 56 | A | 62.6 | Low | 58.7 | Low | 83 Ų | 83 | 87.5 Ų | 87.5 | 69% | 0.686 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R52 I53 S54 S58 | R52-A56 WeakPolarHBondContact O-CB 3.42Å; R52-A56 PolarHBondContact O-N 3.48Å; I53-A56 PolarHBondContact O-N 2.73Å; S54-A56 PolarHBondContact O-N 2.78Å; A56-S58 VanDerWaalsContact C-N 3.35Å; A56-S58 PolarHBondContact O-N 2.55Å |
| 57 | A | 59.1 | Low | 58.6 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 69% | 0.694 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72 | -27.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I53 S54 | I53-A57 WeakPolarHBondContact O-CB 3.17Å; I53-A57 PolarHBondContact O-N 3.28Å; S54-A57 PolarHBondContact O-N 2.91Å |
| 58 | S | 58.8 | Low | 58 | Low | 61 Ų | 61 | 94.8 Ų | 94.8 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -108.8 | 7.4 | -176 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | S54 A56 Y60 | S54-S58 PolarHBondContact O-N 3.37Å; S54-S58 PolarHBondContact O-OG 3.3Å; A56-S58 VanDerWaalsContact C-N 3.35Å; A56-S58 PolarHBondContact O-N 2.55Å; S58-Y60 PolarHBondContact O-N 3.17Å; S58-Y60 WeakPolarHBondContact OG-CD2 3.07Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.24Å |
| 59 | G | 53 | Low | 57.3 | Low | 20 Ų | 20 | 95.9 Ų | 95.9 | 21% | 0.206 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 19.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V55 | V55-G59 PolarHBondContact O-N 3.49Å; V55-G59 VanDerWaalsContact O-N 3.17Å |
| 60 | Y | 54.4 | Low | 56.6 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 24% | 0.235 | 52% | 0.516 | C | S | . | . | | | trans | -83.5 | 146.2 | -179.8 | -63.3 | -66 | 0 | 0 | 0 | 111 | V55 S58 Q79 V80 K81 | V55-Y60 WeakPolarHBondContact CG1-O 3.3Å; V55-Y60 PolarHBondContact O-N 3.02Å; S58-Y60 PolarHBondContact O-N 3.17Å; S58-Y60 WeakPolarHBondContact OG-CD2 3.07Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.24Å; Y60-Q79 HydrophobicContact CD1-CB 3.69Å; Y60-Q79 HydrophobicContact CD1-CG 3.95Å; Y60-Q79 HydrophobicContact CD2-CG 3.88Å; Y60-Q79 HydrophobicContact CE1-CB 3.69Å; Y60-Q79 HydrophobicContact CE1-CG 4.05Å; Y60-Q79 HydrophobicContact CE2-CG 3.98Å; Y60-Q79 HydrophobicContact CG-CB 4.16Å; Y60-Q79 HydrophobicContact CG-CG 3.9Å; Y60-Q79 VanDerWaalsContact CZ-OE1 3.32Å; Y60-Q79 PolarHBondContact OH-OE1 3.46Å; Y60-V80 WeakPolarHBondContact CD1-O 3.35Å; Y60-K81 HydrophobicContact CE1-CB 4.48Å |
| 61 | K | 59.6 | Low | 55.9 | Low | 154 Ų | 154 | 92.6 Ų | 92.6 | 67% | 0.67 | 54% | 0.535 | S | S | * | . | | | trans | -106.7 | 131.2 | 163.9 | -75.1 | -176.7 | 178.3 | 178.1 | 0 | 108.4 | | |
| 62 | L | 56 | Low | 54.9 | Low | 64 Ų | 64 | 93.4 Ų | 93.4 | 34% | 0.335 | 55% | 0.545 | S | S | . | . | | | trans | -80.6 | 123.6 | 173.5 | -69.9 | 160.7 | 0 | 0 | 0 | 108.9 | L47 V55 | L47-L62 HydrophobicContact CD1-CD1 3.08Å; L47-L62 HydrophobicContact CD2-CD1 3.53Å; L47-L62 HydrophobicContact CG-CD1 3.81Å; V55-L62 HydrophobicContact CG1-CD1 4.41Å; V55-L62 HydrophobicContact CG1-CG 4.5Å; V55-L62 HydrophobicContact CG2-CD1 3.82Å; V55-L62 HydrophobicContact CG2-CG 4.14Å |
| 63 | V | 54 | Low | 53.9 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | | | trans | -108.3 | 119.7 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | K65 | V63-K65 PolarHBondContact O-N 3Š|
| 64 | K | 53.3 | Low | 53 | Low | 117 Ų | 117 | 94.5 Ų | 94.5 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | | | trans | -64.3 | 113.6 | 174.8 | -170.9 | 175.4 | -177.2 | 177.3 | 0 | 108.7 | | |
| 65 | K | 55.5 | Low | 52.2 | Low | 114 Ų | 114 | 95.2 Ų | 95.2 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | | | trans | -106.9 | 113.4 | 170.5 | -79 | -171.3 | 178.8 | 180 | 0 | 109.2 | V63 V78 | V63-K65 PolarHBondContact O-N 3Å; K65-V78 HydrophobicContact CD-CG2 4.12Å |
| 66 | T | 49.9 | Very low | 51.3 | Low | 123 Ų | 123 | 97 Ų | 97 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | | | trans | -85.6 | 118.1 | 170.6 | 36.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 67 | F | 54.6 | Low | 50.5 | Low | 147 Ų | 147 | 95 Ų | 95 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | | | trans | -83.5 | 123.4 | 171.7 | -71.8 | -89.2 | 0 | 0 | 0 | 109.3 | G69 | F67-G69 PolarHBondContact O-N 3.44Š|
| 68 | K | 48.4 | Very low | 49.9 | Very low | 224 Ų | 224 | 93.4 Ų | 93.4 | 97% | 0.974 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 113.7 | 175.3 | -131.9 | 177.4 | -178.2 | -178.9 | 0 | 108.4 | | |
| 69 | G | 55.7 | Low | 49.2 | Very low | 87 Ų | 87 | 97 Ų | 97 | 90% | 0.897 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114 | 7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | F67 | F67-G69 PolarHBondContact O-N 3.44Š|
| 70 | S | 44.1 | Very low | 48.8 | Very low | 72 Ų | 72 | 99.7 Ų | 99.7 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | | | trans | -112 | 125.8 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | A72 | S70-A72 PolarHBondContact O-N 3.28Å; S70-A72 PolarHBondContact OG-N 3.49Å; S70-A72 VanDerWaalsContact OG-N 3.15Å; S70-A72 PolarHBondContact OG-O 2.7Å; S70-A72 VanDerWaalsContact OG-O 3.07Å |
| 71 | A | 45.7 | Very low | 48.4 | Very low | 115 Ų | 115 | 105.7 Ų | 105.7 | 95% | 0.95 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -70 | -10.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 72 | A | 43.6 | Very low | 47.6 | Very low | 61 Ų | 61 | 101.4 Ų | 101.4 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -97.2 | 110.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S70 V74 | S70-A72 PolarHBondContact O-N 3.28Å; S70-A72 PolarHBondContact OG-N 3.49Å; S70-A72 VanDerWaalsContact OG-N 3.15Å; S70-A72 PolarHBondContact OG-O 2.7Å; S70-A72 VanDerWaalsContact OG-O 3.07Å; A72-V74 HydrophobicContact CB-CG2 4.48Å; A72-V74 PolarHBondContact O-N 2.94Å |
| 73 | V | 41.5 | Very low | 46.8 | Very low | 128 Ų | 128 | 103 Ų | 103 | 78% | 0.776 | 60% | 0.599 | S | S | * | * | | | trans | -74.3 | 100.6 | 169.2 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 74 | V | 41.7 | Very low | 46.1 | Very low | 99 Ų | 99 | 105.4 Ų | 105.4 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | | | trans | -102.9 | 112.7 | 169.8 | -171.9 | 0 | 0 | 0 | 0 | 107.2 | A72 V76 | A72-V74 HydrophobicContact CB-CG2 4.48Å; A72-V74 PolarHBondContact O-N 2.94Å; V74-V76 HydrophobicContact CB-CG2 4.45Å; V74-V76 HydrophobicContact CG1-CG2 4.05Å; V74-V76 PolarHBondContact O-N 3.45Å |
| 75 | D | 42.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | | | trans | -72.1 | 98.3 | 173.9 | -117 | -47.9 | 0 | 0 | 0 | 108.8 | V45 | V45-D75 HydrophobicContact CG1-CB 4.31Š|
| 76 | V | 43.2 | Very low | 45 | Very low | 69 Ų | 69 | 105.4 Ų | 105.4 | 42% | 0.418 | 64% | 0.641 | S | S | . | * | | | trans | -94.4 | 101.4 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | V74 V78 | V74-V76 HydrophobicContact CB-CG2 4.45Å; V74-V76 HydrophobicContact CG1-CG2 4.05Å; V74-V76 PolarHBondContact O-N 3.45Å; V76-V78 PolarHBondContact O-N 3.32Å |
| 77 | G | 45.9 | Very low | 44.5 | Very low | 42 Ų | 42 | 105.7 Ų | 105.7 | 43% | 0.433 | 64% | 0.635 | S | S | . | * | | | trans | -65.4 | 100.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | Q79 | G77-Q79 PolarHBondContact O-N 2.86Š|
| 78 | V | 47.4 | Very low | 43.7 | Very low | 49 Ų | 49 | 104 Ų | 104 | 30% | 0.297 | 64% | 0.642 | S | S | . | * | | | trans | -79.4 | 115.8 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | K65 V76 V80 | K65-V78 HydrophobicContact CD-CG2 4.12Å; V76-V78 PolarHBondContact O-N 3.32Å; V78-V80 HydrophobicContact CG1-CG2 4.26Å; V78-V80 PolarHBondContact O-N 3.41Å |
| 79 | Q | 43 | Very low | 43.1 | Very low | 138 Ų | 138 | 99 Ų | 99 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | | | trans | -67 | 113.4 | 169.3 | -77.2 | -178.3 | 25.6 | 0 | 0 | 109.7 | Y60 G77 | Y60-Q79 HydrophobicContact CD1-CB 3.69Å; Y60-Q79 HydrophobicContact CD1-CG 3.95Å; Y60-Q79 HydrophobicContact CD2-CG 3.88Å; Y60-Q79 HydrophobicContact CE1-CB 3.69Å; Y60-Q79 HydrophobicContact CE1-CG 4.05Å; Y60-Q79 HydrophobicContact CE2-CG 3.98Å; Y60-Q79 HydrophobicContact CG-CB 4.16Å; Y60-Q79 HydrophobicContact CG-CG 3.9Å; Y60-Q79 VanDerWaalsContact CZ-OE1 3.32Å; Y60-Q79 PolarHBondContact OH-OE1 3.46Å; G77-Q79 PolarHBondContact O-N 2.86Å |
| 80 | V | 45.2 | Very low | 42.4 | Very low | 76 Ų | 76 | 102.4 Ų | 102.4 | 46% | 0.461 | 63% | 0.628 | S | S | . | * | | | trans | -110 | 113.6 | 168.4 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | Y60 V78 V82 | Y60-V80 WeakPolarHBondContact CD1-O 3.35Å; V78-V80 HydrophobicContact CG1-CG2 4.26Å; V78-V80 PolarHBondContact O-N 3.41Å; V80-V82 PolarHBondContact O-N 2.07Å |
| 81 | K | 45.2 | Very low | 42 | Very low | 185 Ų | 185 | 104.3 Ų | 104.3 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | | | trans | -65.5 | 104 | 176.7 | -170.7 | 176.2 | -177.1 | 179.6 | 0 | 108.8 | Y60 | Y60-K81 HydrophobicContact CE1-CB 4.48Š|
| 82 | V | 44 | Very low | 41.7 | Very low | 65 Ų | 65 | 104 Ų | 104 | 39% | 0.394 | 63% | 0.625 | S | S | . | * | | | trans | -84.9 | 130.1 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 108.2 | V80 C84 | V80-V82 PolarHBondContact O-N 2.07Å; V82-C84 PolarHBondContact O-N 2.97Å |
| 83 | P | 38.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | | | trans | -60.9 | 129.5 | 171.9 | 23.5 | -30.4 | 0 | 0 | 0 | 109.7 | A85 | P83-A85 PolarHBondContact O-N 3.09Š|
| 84 | C | 39.4 | Very low | 41 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 87% | 0.865 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 19.3 | -171.9 | -60.2 | 0 | 0 | 0 | 0 | 116 | V82 | V82-C84 PolarHBondContact O-N 2.97Š|
| 85 | A | 43.1 | Very low | 40.9 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -15.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | P83 | P83-A85 PolarHBondContact O-N 3.09Š|
| 86 | D | 41.7 | Very low | 40.6 | Very low | 140 Ų | 140 | 118.1 Ų | 118.1 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -111.8 | 9.8 | -172.6 | -75.4 | -38.4 | 0 | 0 | 0 | 115 | S88 | D86-S88 PolarHBondContact O-N 3.39Š|
| 87 | M | 40.6 | Very low | 40.3 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 64% | 0.635 | 69% | 0.693 | S | S | * | * | | | trans | -91.6 | 78.4 | 172.7 | -71.6 | -171 | 164.2 | 0 | 0 | 109.8 | V89 | M87-V89 PolarHBondContact O-N 3.41Š|
| 88 | S | 36.4 | Very low | 39.7 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | trans | -66.5 | 114.3 | 167.9 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | D86 N90 | D86-S88 PolarHBondContact O-N 3.39Å; S88-N90 PolarHBondContact O-N 3.06Å |
| 89 | V | 36.6 | Very low | 39 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | | | trans | -65.6 | 114.3 | 172.2 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | M87 T91 | M87-V89 PolarHBondContact O-N 3.41Å; V89-T91 HydrophobicContact CG1-CG2 3.91Å |
| 90 | N | 40.4 | Very low | 38.6 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | -96 | 108.4 | 149 | -86 | -39.2 | 0 | 0 | 0 | 107.1 | S88 | S88-N90 PolarHBondContact O-N 3.06Š|
| 91 | T | 37 | Very low | 38.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | | | trans | -54.5 | -179.7 | 165.9 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | V89 | V89-T91 HydrophobicContact CG1-CG2 3.91Š|
| 92 | P | 39 | Very low | 38.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | cis | -137.3 | 164.8 | 4.8 | 34.4 | -13.5 | 0 | 0 | 0 | 114.6 | | |
| 93 | L | 37.2 | Very low | 37.8 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | | -177.9 | 112.1 | 122.9 | -118.6 | 93.4 | 0 | 0 | 0 | 109.8 | M95 | L93-M95 PolarHBondContact O-N 3.26Š|
| 94 | E | 32.7 | Very low | 37.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -48.5 | 128.9 | 153.7 | -84.1 | 171.7 | 80.5 | 0 | 0 | 110.8 | | |
| 95 | M | 40.1 | Very low | 37.1 | Very low | 187 Ų | 187 | 138 Ų | 138 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -140.1 | 94.5 | 137.1 | -104.3 | -178.4 | 174.1 | 0 | 0 | 107.3 | L93 | L93-M95 PolarHBondContact O-N 3.26Š|
| 96 | Q | 35.4 | Very low | 37.1 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -56.9 | 130.2 | 160.3 | -75.3 | 177.9 | -14 | 0 | 0 | 109 | | |
| 97 | Q | 38.1 | Very low | 37.3 | Very low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -159.8 | 118.8 | 134 | -109.7 | 169.7 | 24.6 | 0 | 0 | 111 | | |
| 98 | N | 32.5 | Very low | 37.5 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -80.8 | 127 | -178.4 | -56.2 | -40.4 | 0 | 0 | 0 | 110.4 | | |
| 99 | V | 33.5 | Very low | 38 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -149.7 | 116.4 | 143.8 | -173 | 0 | 0 | 0 | 0 | 110.2 | | |
| 100 | C | 34.3 | Very low | 38.6 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -81 | 134.9 | 175.9 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 101 | R | 43.6 | Very low | 39.2 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | | | | 30.1 | 150.6 | 125.2 | -96.6 | -173.6 | -176.5 | -178.6 | 3.1 | 121.3 | | |
| 102 | P | 39.4 | Very low | 40 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | | -147.2 | 139.5 | 74.8 | 33.7 | -11.8 | 0 | 0 | 0 | 117 | | |
| 103 | V | 33.6 | Very low | 40.7 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | | 83.7 | 110.8 | 101.1 | -176.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 104 | G | 31.2 | Very low | 41.4 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -171.9 | 132.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 105 | A | 33.1 | Very low | 42.9 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | -83.4 | 150.2 | -153.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 106 | A | 42.1 | Very low | 43.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -165.1 | 119.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 107 | E | 46.6 | Very low | 44.5 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | trans | -59 | 138 | 174.4 | -99.9 | 174 | 98.6 | 0 | 0 | 113.3 | | |
| 108 | R | 44.1 | Very low | 45.6 | Very low | 182 Ų | 182 | 131 Ų | 131 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | -93.4 | 128.4 | 172.6 | -73.4 | -171.8 | 173.2 | 172.1 | 4.4 | 110.3 | D13 G110 | D13-R108 IonicContact OD1-CZ 3.52Å; D13-R108 IonicContact OD1-NH1 3.38Å; D13-R108 PolarHBondContact OD1-NH1 3.43Å; D13-R108 IonicContact OD1-NH2 3.45Å; D13-R108 PolarHBondContact OD1-NH2 3.27Å; D13-R108 IonicContact OD2-NH1 2.78Å; D13-R108 PolarHBondContact OD2-NH1 3.33Å; R108-G110 PolarHBondContact O-N 3.3Å |
| 109 | I | 48.4 | Very low | 46.4 | Very low | 176 Ų | 176 | 132 Ų | 132 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | | | trans | -70.6 | 110.6 | 166.6 | -60.8 | 168 | 0 | 0 | 0 | 107.9 | | |
| 110 | G | 49.4 | Very low | 46.9 | Very low | 53 Ų | 53 | 129.2 Ų | 129.2 | 55% | 0.546 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 157.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | R108 | R108-G110 PolarHBondContact O-N 3.3Š|
| 111 | P | 51.8 | Low | 47.5 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 151.2 | 178.3 | 27.4 | -33.3 | 0 | 0 | 0 | 111.3 | V113 | P111-V113 PolarHBondContact O-N 3.06Š|
| 112 | P | 55.1 | Low | 47.3 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 134.1 | -176.7 | 24.2 | -33.3 | 0 | 0 | 0 | 112 | | |
| 113 | V | 51.7 | Low | 47.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 127.9 | 173 | -180 | 0 | 0 | 0 | 0 | 108.9 | P111 | P111-V113 PolarHBondContact O-N 3.06Š|
| 114 | P | 53.1 | Low | 48.3 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 146.5 | 176.5 | 26.8 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 115 | P | 64.4 | Low | 48.9 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.2 | 178.7 | 24.7 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 116 | M | 47.3 | Very low | 49.7 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.8 | 172.2 | -90.6 | -174.7 | -66.6 | 0 | 0 | 110.7 | | |
| 117 | P | 61.2 | Low | 49.3 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143 | 170.6 | 27.9 | -32.3 | 0 | 0 | 0 | 110 | I119 | P117-I119 PolarHBondContact O-N 3.37Š|
| 118 | P | 61.9 | Low | 49.1 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61 | 123.3 | 175.1 | 24.9 | -31.7 | 0 | 0 | 0 | 109.2 | A120 | P118-A120 PolarHBondContact O-N 2.78Š|
| 119 | I | 48.7 | Very low | 49 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -64.2 | 105.7 | 168.2 | -62.7 | 167.6 | 0 | 0 | 0 | 105.8 | P117 S121 | P117-I119 PolarHBondContact O-N 3.37Å; I119-S121 PolarHBondContact O-N 3.23Å |
| 120 | A | 43.6 | Very low | 48.5 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -61.7 | 106.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P118 G122 | P118-A120 PolarHBondContact O-N 2.78Å; A120-G122 PolarHBondContact O-N 3.26Å |
| 121 | S | 46.9 | Very low | 48 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | 118.7 | 161.5 | 50.3 | 0 | 0 | 0 | 0 | 109 | I119 | I119-S121 PolarHBondContact O-N 3.23Š|
| 122 | G | 38.8 | Very low | 47.5 | Very low | 59 Ų | 59 | 134.5 Ų | 134.5 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.3 | -40.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | A120 | A120-G122 PolarHBondContact O-N 3.26Š|
| 123 | E | 45.4 | Very low | 46.5 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -108.9 | 119.4 | -165.5 | -63.5 | -66.9 | 120.4 | 0 | 0 | 112.2 | F125 | E123-F125 PolarHBondContact O-N 3.22Š|
| 124 | P | 49.2 | Very low | 45.7 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -70.4 | 113.1 | 171.6 | 28.5 | -29.2 | 0 | 0 | 0 | 108.4 | E126 | P124-E126 PolarHBondContact O-N 3.02Å; P124-E126 VanDerWaalsContact O-N 3.08Å |
| 125 | F | 44.9 | Very low | 45 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | | | trans | -61.4 | 112.7 | 169.1 | -101.3 | -96.5 | 0 | 0 | 0 | 109.1 | E123 G127 | E123-F125 PolarHBondContact O-N 3.22Å; F125-G127 PolarHBondContact O-N 3.34Å |
| 126 | E | 48.5 | Very low | 43.6 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134 | 165 | -75.4 | -178.7 | 117.6 | 0 | 0 | 109.6 | P124 | P124-E126 PolarHBondContact O-N 3.02Å; P124-E126 VanDerWaalsContact O-N 3.08Å |
| 127 | G | 34.2 | Very low | 43.4 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 132.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F125 | F125-G127 PolarHBondContact O-N 3.34Š|
| 128 | I | 42 | Very low | 42.2 | Very low | 148 Ų | 148 | 145 Ų | 145 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 127.6 | 161.4 | -54.5 | 175.1 | 0 | 0 | 0 | 106.9 | Q130 | I128-Q130 PolarHBondContact O-N 2.9Š|
| 129 | P | 42.8 | Very low | 41.3 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.7 | -172.2 | 23 | -31.9 | 0 | 0 | 0 | 112.2 | S131 | P129-S131 VanDerWaalsContact C-N 3.34Å; P129-S131 PolarHBondContact O-N 3.39Å |
| 130 | Q | 38.1 | Very low | 41.2 | Very low | 205 Ų | 205 | 142.1 Ų | 142.1 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 85.7 | 169.3 | -76.4 | -177.8 | -26.6 | 0 | 0 | 110.2 | I128 | I128-Q130 PolarHBondContact O-N 2.9Š|
| 131 | S | 38.5 | Very low | 41 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | | | trans | -148.7 | 79.1 | 167.4 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | P129 | P129-S131 VanDerWaalsContact C-N 3.34Å; P129-S131 PolarHBondContact O-N 3.39Å |
| 132 | Q | 41.4 | Very low | 40.7 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -176.7 | 96.9 | 137.3 | -99.3 | 172.9 | 49.1 | 0 | 0 | 106.2 | G134 | Q132-G134 PolarHBondContact O-N 3.47Š|
| 133 | M | 33.5 | Very low | 40.5 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 99% | 0.99 | 80% | 0.801 | S | S | * | * | | | trans | -63.3 | 85.3 | 169.5 | -82.1 | 172.1 | -178.8 | 0 | 0 | 109 | | |
| 134 | G | 36.3 | Very low | 39.9 | Very low | 52 Ų | 52 | 149.6 Ų | 149.6 | 54% | 0.536 | 81% | 0.805 | S | S | . | * | | | trans | -84.9 | 115.4 | 153 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q132 Y136 | Q132-G134 PolarHBondContact O-N 3.47Å; G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 3.06Å |
| 135 | M | 37.6 | Very low | 39.2 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -60.7 | 91.7 | 170.8 | -71.5 | -76 | -163.2 | 0 | 0 | 108.8 | T137 | M135-T137 PolarHBondContact O-N 3.05Š|
| 136 | Y | 35.8 | Very low | 38.8 | Very low | 216 Ų | 216 | 143.7 Ų | 143.7 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 92 | 166.5 | -91.8 | -86.6 | 0 | 0 | 0 | 108 | G134 Y138 | G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 3.06Å; Y136-Y138 PolarHBondContact O-N 3.06Å |
| 137 | T | 41.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -68 | 114 | 166.1 | -47.5 | 0 | 0 | 0 | 0 | 107.8 | M135 | M135-T137 PolarHBondContact O-N 3.05Š|
| 138 | Y | 36.3 | Very low | 38.1 | Very low | 208 Ų | 208 | 145.8 Ų | 145.8 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.5 | 171.6 | -74.9 | -94.5 | 0 | 0 | 0 | 109.5 | Y136 | Y136-Y138 PolarHBondContact O-N 3.06Š|
| 139 | P | 43.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134.9 | 165.8 | 25.4 | -30.7 | 0 | 0 | 0 | 108.2 | N141 | P139-N141 PolarHBondContact O-N 2.97Š|
| 140 | P | 46.6 | Very low | 37.5 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.7 | -176.8 | 24.9 | -31.6 | 0 | 0 | 0 | 109.3 | M142 | P140-M142 PolarHBondContact O-N 2.99Š|
| 141 | N | 37.7 | Very low | 37.3 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -47.5 | 101.1 | 174.3 | -152.8 | -17.2 | 0 | 0 | 0 | 109.5 | P139 G143 | P139-N141 PolarHBondContact O-N 2.97Å; N141-G143 VanDerWaalsContact C-N 3.28Å; N141-G143 PolarHBondContact O-N 3.21Å |
| 142 | M | 40.5 | Very low | 37 | Very low | 189 Ų | 189 | 155 Ų | 155 | 93% | 0.931 | 81% | 0.809 | S | S | * | * | | | trans | -72.3 | 92.1 | 170.8 | -75.9 | -154.5 | -164.7 | 0 | 0 | 107.8 | P140 | P140-M142 PolarHBondContact O-N 2.99Š|
| 143 | G | 34.9 | Very low | 36.9 | Very low | 59 Ų | 59 | 153.6 Ų | 153.6 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | trans | -59 | 133 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N141 | N141-G143 VanDerWaalsContact C-N 3.28Å; N141-G143 PolarHBondContact O-N 3.21Å |
| 144 | H | 33.2 | Very low | 37 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | 13.5 | 102.7 | 147.3 | -63.5 | -61.9 | 0 | 0 | 0 | 117.9 | | |
| 145 | G | 35 | Very low | 36.6 | Very low | 76 Ų | 76 | 153.7 Ų | 153.7 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 127.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 146 | S | 36 | Very low | 36.4 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 151.4 | -174.6 | -47.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 147 | Q | 34.1 | Very low | 36.5 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.5 | -178.9 | -66.7 | -176 | -6.2 | 0 | 0 | 113.5 | | |
| 148 | M | 34.8 | Very low | 36 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -116.5 | 119.5 | 168.9 | -80.2 | -78.3 | -162.4 | 0 | 0 | 110.5 | | |
| 149 | Y | 31.8 | Very low | 35.9 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -81.7 | 134.3 | 170.7 | -82.9 | -106 | 0 | 0 | 0 | 110.2 | | |
| 150 | Y | 40.2 | Very low | 35.3 | Very low | 216 Ų | 216 | 140.8 Ų | 140.8 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -129.1 | 125.9 | 162.4 | -90.1 | -87.8 | 0 | 0 | 0 | 111.2 | | |
| 151 | N | 34.2 | Very low | 34.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -78.8 | 128.3 | -177.6 | -130.7 | -22.6 | 0 | 0 | 0 | 109.9 | E153 | N151-E153 PolarHBondContact O-N 3.15Š|
| 152 | N | 31.6 | Very low | 34.5 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -79.7 | 99.9 | 176.5 | -96.4 | -20.2 | 0 | 0 | 0 | 110 | | |
| 153 | E | 38.2 | Very low | 34 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | trans | -144.5 | 118.2 | 157.3 | -73.2 | -149.2 | 175.8 | 0 | 0 | 113.1 | N151 | N151-E153 PolarHBondContact O-N 3.15Š|
| 154 | L | 36.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | 75.9 | 103.4 | 137.7 | -61.9 | 163.5 | 0 | 0 | 0 | 121.4 | | |
| 155 | C | 29.1 | Very low | 34 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | | | | 50.9 | 124.7 | 117.7 | -114.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 156 | M | 32.8 | Very low | 34.1 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 101.7 | 148.1 | 135.6 | -70.8 | -76.3 | 123.2 | 0 | 0 | 119.8 | | |
| 157 | P | 38.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | trans | -128.7 | 178.8 | -132.2 | 40.5 | -22.4 | 0 | 0 | 0 | 115.2 | | |
| 158 | S | 30.5 | Very low | 34.5 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 71.8 | 113.2 | 149.7 | -151.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 159 | A | 34.7 | Very low | 34.4 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -159.4 | 115.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 160 | A | 30.5 | Very low | 34.8 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 41 | 149.6 | 133.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 161 | S | 32.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | 177.4 | 162 | -13.4 | 53.5 | 0 | 0 | 0 | 0 | 104.8 | | |
| 162 | S | 34.4 | Very low | 35.1 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | 78.2 | 142.8 | 165.4 | 90.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 163 | N | 30.2 | Very low | 35.1 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | cis | -177.2 | 150.8 | -9 | -124.1 | -28.8 | 0 | 0 | 0 | 105.7 | | |
| 164 | I | 38 | Very low | 35 | Very low | 151 Ų | 151 | 136 Ų | 136 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | 92.6 | 116.3 | 150.7 | -54.8 | 149.6 | 0 | 0 | 0 | 119.6 | | |
| 165 | F | 31.1 | Very low | 35 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -53.5 | 155.2 | 164.2 | -95.8 | -119.1 | 0 | 0 | 0 | 115.5 | | |
| 166 | Y | 36.3 | Very low | 35.5 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | | -174.8 | 152.3 | 101 | -97.8 | -83.2 | 0 | 0 | 0 | 112.4 | | |
| 167 | P | 38.6 | Very low | 35.9 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 54% | 0.539 | 77% | 0.773 | S | S | . | * | | | trans | -121.4 | 124.1 | -158.7 | 35.8 | -18.6 | 0 | 0 | 0 | 114.5 | | |
| 168 | Y | 38.9 | Very low | 35.6 | Very low | 233 Ų | 233 | 143.2 Ų | 143.2 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | | | trans | -156.9 | 121.8 | 168.7 | -83.4 | -79.8 | 0 | 0 | 0 | 114.4 | | |
| 169 | G | 34.7 | Very low | 35.7 | Very low | 64 Ų | 64 | 146.2 Ų | 146.2 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | 77.2 | 151.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 170 | P | 38.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 153.3 Ų | 153.3 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 125.4 | -170.6 | 33.8 | -31 | 0 | 0 | 0 | 111.2 | | |
| 171 | I | 41.3 | Very low | 36.2 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 124.8 | 175 | -55.8 | 178.5 | 0 | 0 | 0 | 108.8 | | |
| 172 | P | 40.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 150.8 | -176.7 | 31.3 | -33.8 | 0 | 0 | 0 | 112 | N174 | P172-N174 PolarHBondContact O-N 3.07Š|
| 173 | Y | 31.7 | Very low | 36.7 | Very low | 237 Ų | 237 | 158 Ų | 158 | 93% | 0.929 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 119.5 | 173.4 | -95.3 | -98.8 | 0 | 0 | 0 | 111.6 | | |
| 174 | N | 36.3 | Very low | 36.8 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | | | trans | -96 | 112.8 | 170.1 | -163 | -39.2 | 0 | 0 | 0 | 109.7 | P172 Q176 | P172-N174 PolarHBondContact O-N 3.07Å; N174-Q176 VanDerWaalsContact C-N 3.26Å; N174-Q176 PolarHBondContact O-N 3.18Å; N174-Q176 VanDerWaalsContact O-N 3.12Å; N174-Q176 WeakPolarHBondContact OD1-CG 3.48Å |
| 175 | Q | 36.9 | Very low | 36.8 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -80.4 | 51.1 | -178.6 | -106.4 | -147.8 | 64.5 | 0 | 0 | 112.9 | | |
| 176 | Q | 38.8 | Very low | 37.1 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 71% | 0.71 | 78% | 0.783 | S | S | * | * | | | trans | -134.6 | 132.5 | -178.8 | -67.5 | -178.4 | -7.2 | 0 | 0 | 111 | N174 | N174-Q176 VanDerWaalsContact C-N 3.26Å; N174-Q176 PolarHBondContact O-N 3.18Å; N174-Q176 VanDerWaalsContact O-N 3.12Å; N174-Q176 WeakPolarHBondContact OD1-CG 3.48Å |
| 177 | Q | 41.9 | Very low | 36.9 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | 103.8 | 68.5 | -172 | -60.2 | 173.2 | 32 | 0 | 0 | 111 | | |
| 178 | M | 31.4 | Very low | 36.9 | Very low | 140 Ų | 140 | 156.9 Ų | 156.9 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | | | cis | 47.3 | 97.4 | 47.8 | -77.4 | -74.6 | -108.1 | 0 | 0 | 113.8 | | |
| 179 | Y | 33.7 | Very low | 36.8 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 73.3 | 109.2 | 159.6 | -54.8 | -77.1 | 0 | 0 | 0 | 119 | | |
| 180 | Y | 38.8 | Very low | 37 | Very low | 243 Ų | 243 | 158.6 Ų | 158.6 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | | | | -146.3 | 139.4 | 126.9 | -99.8 | -81.9 | 0 | 0 | 0 | 110 | | |
| 181 | V | 36.9 | Very low | 37.1 | Very low | 120 Ų | 120 | 159.1 Ų | 159.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -79.4 | 148.3 | -155.1 | 174.5 | 0 | 0 | 0 | 0 | 113 | | |
| 182 | P | 37.4 | Very low | 37 | Very low | 121 Ų | 121 | 160.4 Ų | 160.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -78.1 | 122.7 | 177.8 | 31.8 | -31.5 | 0 | 0 | 0 | 110.5 | A184 | P182-A184 PolarHBondContact O-N 3.33Š|
| 183 | N | 39.2 | Very low | 37.1 | Very low | 158 Ų | 158 | 163.5 Ų | 163.5 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -93.5 | 101.6 | 174 | -137.6 | 13.5 | 0 | 0 | 0 | 109.5 | | |
| 184 | A | 32.9 | Very low | 37.5 | Very low | 85 Ų | 85 | 158.9 Ų | 158.9 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | -72.8 | 137.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P182 | P182-A184 PolarHBondContact O-N 3.33Š|
| 185 | M | 37.9 | Very low | 37.8 | Very low | 175 Ų | 175 | 164.3 Ų | 164.3 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | -164.3 | 154.2 | 160.8 | -92.8 | -128.2 | -82.9 | 0 | 0 | 110.8 | | |
| 186 | P | 36.7 | Very low | 38 | Very low | 110 Ų | 110 | 158.1 Ų | 158.1 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | | -117.9 | 173.1 | -110 | 38.8 | -29.6 | 0 | 0 | 0 | 114.6 | Q188 | P186-Q188 PolarHBondContact O-N 3.2Š|
| 187 | M | 32.4 | Very low | 38.3 | Very low | 179 Ų | 179 | 161.9 Ų | 161.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -44.2 | 123.9 | 167.5 | -76.5 | -171.7 | 158.4 | 0 | 0 | 112.8 | | |
| 188 | Q | 39.1 | Very low | 38.7 | Very low | 185 Ų | 185 | 162.5 Ų | 162.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -109 | 95 | 149.7 | -78.1 | -163.2 | -6.2 | 0 | 0 | 108.8 | P186 | P186-Q188 PolarHBondContact O-N 3.2Š|
| 189 | Q | 36 | Very low | 40 | Very low | 174 Ų | 174 | 160.8 Ų | 160.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -74.1 | 115.5 | 140.8 | -82.4 | -177 | 15.8 | 0 | 0 | 106.5 | | |
| 190 | Q | 40.2 | Very low | 40.6 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -162.2 | 119.9 | 147.7 | -119.3 | 172.3 | 2.4 | 0 | 0 | 111.6 | | |
| 191 | Q | 40.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | | | trans | 64.6 | 93.8 | 141.4 | -73 | 173.4 | 17.8 | 0 | 0 | 118.9 | Q193 | Q191-Q193 PolarHBondContact O-N 2.71Š|
| 192 | Q | 39.2 | Very low | 42.8 | Very low | 191 Ų | 191 | 151.7 Ų | 151.7 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | | 7 | 102.4 | 111.4 | -163.3 | 168.9 | 47.1 | 0 | 0 | 114.9 | | |
| 193 | Q | 40.4 | Very low | 43.4 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -135.2 | 112.8 | 150.5 | -69 | -168 | 10.5 | 0 | 0 | 108.5 | Q191 | Q191-Q193 PolarHBondContact O-N 2.71Š|
| 194 | D | 39.9 | Very low | 44.2 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -51.9 | 172.6 | 151.9 | -113.2 | -70.1 | 0 | 0 | 0 | 110.8 | | |
| 195 | Y | 43.3 | Very low | 45 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 93% | 0.929 | 80% | 0.802 | S | S | * | * | | | trans | 83.5 | 124.1 | -170.7 | -61.1 | -88.4 | 0 | 0 | 0 | 113 | | |
| 196 | G | 41.3 | Very low | 45.4 | Very low | 63 Ų | 63 | 158 Ų | 158 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | | | cis | 166.9 | 150.5 | 9.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 197 | Y | 45.4 | Very low | 45.9 | Very low | 231 Ų | 231 | 159.8 Ų | 159.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | 7.4 | 115.2 | 159.4 | -104.2 | -102.6 | 0 | 0 | 0 | 118.1 | | |
| 198 | F | 50.1 | Low | 46.4 | Very low | 206 Ų | 206 | 156.4 Ų | 156.4 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -105.1 | 117.7 | 157 | -122.9 | -93 | 0 | 0 | 0 | 108.9 | | |
| 199 | P | 58.2 | Low | 46.7 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 144.8 | -176.2 | 30.1 | -32.3 | 0 | 0 | 0 | 112.2 | | |
| 200 | S | 47 | Very low | 47.3 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 148.1 | 170.7 | -53 | 0 | 0 | 0 | 0 | 111.6 | | |
| 201 | P | 61.3 | Low | 47.5 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148 | 179.1 | 26.1 | -33 | 0 | 0 | 0 | 112.4 | | |
| 202 | P | 60.7 | Low | 48.1 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 141.1 | -179.8 | 28.4 | -33.5 | 0 | 0 | 0 | 112.3 | | |
| 203 | M | 49.2 | Very low | 48.8 | Very low | 172 Ų | 172 | 147 Ų | 147 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 142.2 | 166.1 | -77.4 | -139.8 | -66.5 | 0 | 0 | 110.5 | E205 | M203-E205 PolarHBondContact O-N 3.21Š|
| 204 | P | 56.7 | Low | 49.3 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | trans | -77.9 | 100.7 | 173 | 29.8 | -30.1 | 0 | 0 | 0 | 110.2 | | |
| 205 | E | 49 | Very low | 49.7 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -89 | 152.9 | 154.1 | -74.6 | -176.3 | 146.7 | 0 | 0 | 109.3 | M203 | M203-E205 PolarHBondContact O-N 3.21Š|
| 206 | Y | 47 | Very low | 50.1 | Low | 206 Ų | 206 | 149.1 Ų | 149.1 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | trans | 81 | 105.6 | -179.2 | -66.9 | -96.4 | 0 | 0 | 0 | 116.1 | | |
| 207 | V | 46.2 | Very low | 50.6 | Low | 149 Ų | 149 | 157.3 Ų | 157.3 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | | | | -145.4 | 122.1 | 103.5 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 208 | S | 43.1 | Very low | 51.3 | Low | 107 Ų | 107 | 159.1 Ų | 159.1 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | trans | -54.4 | 143.4 | 172.2 | -52 | 0 | 0 | 0 | 0 | 113.5 | | |
| 209 | G | 46.1 | Very low | 51.4 | Low | 63 Ų | 63 | 156.8 Ų | 156.8 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | | | trans | -164 | 102 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 210 | F | 48.7 | Very low | 51 | Low | 218 Ų | 218 | 159.5 Ų | 159.5 | 96% | 0.956 | 83% | 0.826 | S | S | * | * | | | trans | 39.5 | 108.5 | 145.5 | -71.9 | -97.2 | 0 | 0 | 0 | 116.7 | | |
| 211 | G | 44.5 | Very low | 51.3 | Low | 65 Ų | 65 | 162.3 Ų | 162.3 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | | | | 125.2 | 120.9 | 61.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 212 | Q | 52.5 | Low | 50.7 | Low | 168 Ų | 168 | 164.9 Ų | 164.9 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | | | trans | 28 | 116.4 | 140.4 | -66.2 | -172 | 34.7 | 0 | 0 | 116.9 | | |
| 213 | M | 55 | Low | 50 | Low | 139 Ų | 139 | 167.5 Ų | 167.5 | 69% | 0.685 | 84% | 0.835 | S | S | * | * | | | | 160.2 | 140.7 | 90 | -114.8 | 178.9 | -98.1 | 0 | 0 | 111.6 | | |
| 214 | Q | 49.6 | Very low | 50.1 | Low | 164 Ų | 164 | 167.2 Ų | 167.2 | 77% | 0.766 | 83% | 0.834 | S | S | * | * | | | trans | 78.6 | 94.7 | 146.5 | -65.5 | -177.5 | 24.4 | 0 | 0 | 119.5 | | |
| 215 | H | 49.1 | Very low | 49.6 | Very low | 183 Ų | 183 | 169.9 Ų | 169.9 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | | | | -3.7 | 119 | 120.9 | -84.1 | -85.2 | 0 | 0 | 0 | 116.3 | | |
| 216 | R | 51.3 | Low | 49.7 | Very low | 250 Ų | 250 | 170.4 Ų | 170.4 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | | | trans | -148.1 | 98.2 | 134.4 | -144 | 176.8 | -177.8 | 177.4 | -0.1 | 109.2 | | |
| 217 | R | 52 | Low | 49.9 | Very low | 235 Ų | 235 | 167.4 Ų | 167.4 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | | | trans | -91 | 117.3 | 158.1 | -90.3 | -174.1 | 169.6 | -175.9 | -2.8 | 106.8 | | |
| 218 | Q | 60.6 | Low | 50.2 | Low | 268 Ų | 268 | 169.1 Ų | 169.1 | 100% | 1.252 | 84% | 0.835 | S | S | * | * | | | trans | -168.6 | 0 | 139.8 | -103.8 | 179.2 | 51.3 | 0 | 0 | 107.3 | | |