| 1 | M | 46 | Very low | 47.7 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 100% | 1.217 | 82% | 0.819 | S | S | * | * | | | | 0 | 129.1 | 0 | -73.1 | -179.7 | -82.3 | 0 | 0 | 107.8 | | |
| 2 | L | 52.5 | Low | 48.4 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | | | trans | -67.3 | 144.8 | 175.2 | -71.4 | 138.9 | 0 | 0 | 0 | 110.4 | | |
| 3 | F | 46.2 | Very low | 48.6 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | | 169.1 | 140.2 | 113 | -78.8 | -63.2 | 0 | 0 | 0 | 111.2 | | |
| 4 | P | 49.7 | Very low | 49 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | | | trans | -82.8 | 142.3 | -173.8 | 33.3 | -32.4 | 0 | 0 | 0 | 112.2 | S6 | P4-S6 VanDerWaalsContact C-N 3.34Å; P4-S6 PolarHBondContact O-N 3.5Å |
| 5 | T | 52.1 | Low | 49.3 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 92.6 | 162.4 | 164.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | S | 53.8 | Low | 49.8 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -124.3 | 102.9 | 163.7 | 70.4 | 0 | 0 | 0 | 0 | 108.5 | P4 | P4-S6 VanDerWaalsContact C-N 3.34Å; P4-S6 PolarHBondContact O-N 3.5Å |
| 7 | A | 48 | Very low | 50.1 | Low | 89 Ų | 89 | 137.1 Ų | 137.1 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -169.9 | 80.2 | 153 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 8 | Q | 47.6 | Very low | 50.3 | Low | 191 Ų | 191 | 136.8 Ų | 136.8 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | | 73 | 83.9 | 110.1 | -70.5 | -162.9 | -17.1 | 0 | 0 | 111.9 | | |
| 9 | E | 41 | Very low | 50.5 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -39.8 | 150.2 | 137.7 | -115.9 | -170.1 | 99.7 | 0 | 0 | 111.3 | | |
| 10 | S | 41.3 | Very low | 50.8 | Low | 64 Ų | 64 | 134.9 Ų | 134.9 | 45% | 0.448 | 76% | 0.763 | S | S | . | * | | | trans | 81 | 68.6 | 152.5 | -165.8 | 0 | 0 | 0 | 0 | 116.4 | R12 | S10-R12 PolarHBondContact O-N 2.95Å; S10-R12 VanDerWaalsContact OG-CB 3.28Å; S10-R12 WeakPolarHBondContact OG-CB 3.46Å; S10-R12 WeakPolarHBondContact OG-CD 3.28Å; S10-R12 WeakPolarHBondContact OG-CG 3.18Å |
| 11 | S | 47 | Very low | 51 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 99% | 0.986 | 77% | 0.765 | S | S | * | * | | | trans | -63.3 | 63.3 | 141.1 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 12 | R | 55.3 | Low | 51.4 | Low | 201 Ų | 201 | 128.5 Ų | 128.5 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | | | trans | -102.7 | 121.9 | 167.5 | -74.7 | -174 | -161.2 | 133.9 | 6.5 | 107.5 | S10 | S10-R12 PolarHBondContact O-N 2.95Å; S10-R12 VanDerWaalsContact OG-CB 3.28Å; S10-R12 WeakPolarHBondContact OG-CB 3.46Å; S10-R12 WeakPolarHBondContact OG-CD 3.28Å; S10-R12 WeakPolarHBondContact OG-CG 3.18Å |
| 13 | G | 51 | Low | 51.4 | Low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | | | trans | 113.6 | 75.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 14 | L | 55 | Low | 51.9 | Low | 168 Ų | 168 | 122.8 Ų | 122.8 | 88% | 0.88 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 128.7 | 147.3 | -113.4 | 140.1 | 0 | 0 | 0 | 106.3 | D16 | L14-D16 PolarHBondContact O-N 3.39Å; L14-D16 VanDerWaalsContact O-N 3.14Å |
| 15 | P | 53.7 | Low | 52.3 | Low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.4 | 176.7 | 23.2 | -31.1 | 0 | 0 | 0 | 108.3 | A17 | P15-A17 PolarHBondContact O-N 2.85Š|
| 16 | D | 57.3 | Low | 52.2 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 135.2 | 177.6 | -175.2 | -112.5 | 0 | 0 | 0 | 107.7 | L14 N18 D19 | L14-D16 PolarHBondContact O-N 3.39Å; L14-D16 VanDerWaalsContact O-N 3.14Å; D16-N18 PolarHBondContact O-N 3.14Å; D16-N18 WeakPolarHBondContact OD1-CB 2.94Å; D16-N18 PolarHBondContact OD1-N 2.81Å; D16-D19 PolarHBondContact O-N 3.04Å |
| 17 | A | 53.8 | Low | 52.1 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -9.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | P15 | P15-A17 PolarHBondContact O-N 2.85Š|
| 18 | N | 54.6 | Low | 52.4 | Low | 132 Ų | 132 | 124.8 Ų | 124.8 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -14.8 | 178.1 | -147.8 | 20.7 | 0 | 0 | 0 | 113.8 | D16 | D16-N18 PolarHBondContact O-N 3.14Å; D16-N18 WeakPolarHBondContact OD1-CB 2.94Å; D16-N18 PolarHBondContact OD1-N 2.81Å |
| 19 | D | 53.2 | Low | 52.7 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 66% | 0.658 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -77.2 | -13.2 | 172.4 | -74.6 | -53.5 | 0 | 0 | 0 | 112.3 | D16 C21 | D16-D19 PolarHBondContact O-N 3.04Å; D19-C21 PolarHBondContact O-N 2.88Å |
| 20 | L | 56.6 | Low | 53.4 | Low | 111 Ų | 111 | 120.2 Ų | 120.2 | 58% | 0.581 | 71% | 0.706 | S | S | * | * | | | trans | -74.4 | 79.4 | 159.5 | -84.4 | 79.1 | 0 | 0 | 0 | 107.4 | L22 | L20-L22 HydrophobicContact CB-CG 4.29Å; L20-L22 HydrophobicContact CD2-CD1 3.91Å; L20-L22 HydrophobicContact CD2-CG 4.45Å; L20-L22 PolarHBondContact O-N 3.07Å |
| 21 | C | 54.9 | Low | 54.1 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | -60.4 | 34.5 | 162.7 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | D19 G23 | D19-C21 PolarHBondContact O-N 2.88Å; C21-G23 PolarHBondContact O-N 2.92Å |
| 22 | L | 55 | Low | 54.4 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | | | trans | -68.8 | 83.9 | 157.9 | -60.9 | -176.9 | 0 | 0 | 0 | 105.9 | L20 L24 | L20-L22 HydrophobicContact CB-CG 4.29Å; L20-L22 HydrophobicContact CD2-CD1 3.91Å; L20-L22 HydrophobicContact CD2-CG 4.45Å; L20-L22 PolarHBondContact O-N 3.07Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.39Å |
| 23 | G | 53.1 | Low | 54.3 | Low | 50 Ų | 50 | 121.7 Ų | 121.7 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | | | trans | -41.5 | 97.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C21 Q25 | C21-G23 PolarHBondContact O-N 2.92Å; G23-Q25 PolarHBondContact O-N 2.91Å |
| 24 | L | 56.6 | Low | 54.6 | Low | 172 Ų | 172 | 127 Ų | 127 | 90% | 0.901 | 71% | 0.71 | S | S | * | * | | | trans | -70.6 | 28.8 | 161.7 | -78.2 | 155.5 | 0 | 0 | 0 | 109.9 | L22 | L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.39Å |
| 25 | Q | 57.3 | Low | 54.3 | Low | 160 Ų | 160 | 123.2 Ų | 123.2 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | | | trans | -87.9 | 112.4 | 173.4 | -20.2 | -75.1 | -9.6 | 0 | 0 | 105.8 | G23 | G23-Q25 PolarHBondContact O-N 2.91Š|
| 26 | S | 50 | Low | 54.1 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | | | trans | 74.2 | 64 | 159.6 | -55 | 0 | 0 | 0 | 0 | 117.2 | S28 | S26-S28 WeakPolarHBondContact CB-OG 3.34Å; S26-S28 PolarHBondContact O-N 2.73Å; S26-S28 PolarHBondContact OG-OG 2.92Å |
| 27 | L | 52.3 | Low | 53.5 | Low | 164 Ų | 164 | 127.4 Ų | 127.4 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | | | | -64 | 60 | 128.7 | -82 | 162.8 | 0 | 0 | 0 | 109.1 | L29 | L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.69Å |
| 28 | S | 54.1 | Low | 53.4 | Low | 73 Ų | 73 | 128.4 Ų | 128.4 | 51% | 0.51 | 70% | 0.697 | S | S | . | * | | | trans | -82.3 | 87.4 | 172.1 | -64.4 | 0 | 0 | 0 | 0 | 106.3 | S26 T30 | S26-S28 WeakPolarHBondContact CB-OG 3.34Å; S26-S28 PolarHBondContact O-N 2.73Å; S26-S28 PolarHBondContact OG-OG 2.92Å; S28-T30 PolarHBondContact O-N 3.03Å |
| 29 | L | 54.1 | Low | 52.8 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | | | trans | -70.2 | 35.5 | 168.3 | -65.8 | 171.8 | 0 | 0 | 0 | 111.3 | L27 G31 | L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 PolarHBondContact O-N 2.69Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.92Å |
| 30 | T | 54.6 | Low | 52.6 | Low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 83.5 | 170.4 | 43 | 0 | 0 | 0 | 0 | 108.1 | S28 | S28-T30 PolarHBondContact O-N 3.03Š|
| 31 | G | 55.6 | Low | 51.8 | Low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.3 | 0.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L29 | L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.92Å |
| 32 | W | 53.3 | Low | 51.4 | Low | 222 Ų | 222 | 132.6 Ų | 132.6 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | | | trans | -92.3 | -0.9 | 179.8 | -97.7 | 43.5 | 0 | 0 | 0 | 115.1 | R34 | W32-R34 PolarHBondContact O-N 2.97Š|
| 33 | D | 53.4 | Low | 50.4 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -80.2 | -9.5 | -173.4 | -162.5 | -113.1 | 0 | 0 | 0 | 114.5 | | |
| 34 | R | 57.8 | Low | 49.9 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | | | trans | -159 | 83.5 | 177.7 | -126 | 166 | -169.9 | -115.5 | -9.5 | 117 | W32 W36 S37 | W32-R34 PolarHBondContact O-N 2.97Å; R34-W36 PolarHBondContact O-N 2.96Å; R34-S37 VanDerWaalsContact CZ-CB 3.46Å; R34-S37 VanDerWaalsContact NH1-CB 3.3Å; R34-S37 PolarHBondContact NH2-OG 3.41Å |
| 35 | P | 49.2 | Very low | 49.3 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 58% | 0.578 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -85.8 | 92.7 | 154 | 30.8 | -17.9 | 0 | 0 | 0 | 107.4 | | |
| 36 | W | 48.9 | Very low | 48.3 | Very low | 229 Ų | 229 | 132.5 Ų | 132.5 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | 63.3 | 93.3 | 168.6 | -39.1 | -71 | 0 | 0 | 0 | 115.5 | R34 T38 | R34-W36 PolarHBondContact O-N 2.96Å; W36-T38 PolarHBondContact O-N 2.77Å; W36-T38 VanDerWaalsContact O-N 3.1Å |
| 37 | S | 44.5 | Very low | 47.4 | Very low | 60 Ų | 60 | 133.3 Ų | 133.3 | 42% | 0.42 | 74% | 0.738 | S | S | . | * | | | trans | -41.9 | 121.9 | 138.3 | -156.9 | 0 | 0 | 0 | 0 | 106.2 | R34 Q39 | R34-S37 VanDerWaalsContact CZ-CB 3.46Å; R34-S37 VanDerWaalsContact NH1-CB 3.3Å; R34-S37 PolarHBondContact NH2-OG 3.41Å; S37-Q39 VanDerWaalsContact C-N 3.27Å; S37-Q39 PolarHBondContact O-N 3.1Å |
| 38 | T | 52.7 | Low | 47.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | -47.6 | 102.7 | 161.3 | 39.2 | 0 | 0 | 0 | 0 | 106.6 | W36 D40 | W36-T38 PolarHBondContact O-N 2.77Å; W36-T38 VanDerWaalsContact O-N 3.1Å; T38-D40 PolarHBondContact O-N 3.32Å |
| 39 | Q | 41.9 | Very low | 46.2 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | | | trans | -78.2 | 77.5 | 166.9 | -174.9 | 171.1 | -15.3 | 0 | 0 | 104.9 | S37 S41 | S37-Q39 VanDerWaalsContact C-N 3.27Å; S37-Q39 PolarHBondContact O-N 3.1Å; Q39-S41 PolarHBondContact O-N 3.35Å |
| 40 | D | 49.2 | Very low | 45.2 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -61.7 | 111 | 154.9 | -70.9 | -73.8 | 0 | 0 | 0 | 106.5 | T38 | T38-D40 PolarHBondContact O-N 3.32Š|
| 41 | S | 39.9 | Very low | 44.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -163.4 | 95.2 | 154 | -79 | 0 | 0 | 0 | 0 | 109.3 | Q39 | Q39-S41 PolarHBondContact O-N 3.35Š|
| 42 | D | 44.9 | Very low | 43.4 | Very low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | | | trans | -12.1 | 122.9 | 146.6 | -123.8 | -68.7 | 0 | 0 | 0 | 114.5 | | |
| 43 | S | 35.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -166.4 | 99.1 | 144.5 | -88.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 44 | S | 42.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | | 74 | 103.5 | 129.9 | -168.3 | 0 | 0 | 0 | 0 | 120 | | |
| 45 | A | 43.6 | Very low | 41.1 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | 65.8 | 92.5 | 130.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 46 | Q | 35.6 | Very low | 41.1 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | | | trans | -134 | 92 | 141.4 | -69 | -167.4 | -46.4 | 0 | 0 | 107.1 | | |
| 47 | S | 32.4 | Very low | 40.4 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | | 58.9 | 103.3 | 99.4 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 48 | S | 44.2 | Very low | 40.2 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 24.2 | 120.6 | 150.8 | -59.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 49 | T | 36.2 | Very low | 39.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | | 175 | 150.8 | 81.4 | -34.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 50 | H | 33.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | | | trans | 86.2 | 109.1 | 159.4 | -86.9 | -79.7 | 0 | 0 | 0 | 121.6 | | |
| 51 | S | 34.3 | Very low | 39 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | 74.3 | 97.5 | 132.4 | -74.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 52 | V | 36.6 | Very low | 38.9 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | 31.3 | 99.5 | 133.4 | -69.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 53 | K | 35.2 | Very low | 38.8 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | trans | -68.3 | 147.3 | 150.4 | -67.1 | 171.8 | -179 | 163.8 | 0 | 108.5 | | |
| 54 | P | 36.2 | Very low | 39 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | | -119.3 | 114.5 | 99.1 | 32.8 | -28 | 0 | 0 | 0 | 108.4 | | |
| 55 | S | 46 | Very low | 39.1 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | | 46.8 | 108 | 90 | 66 | 0 | 0 | 0 | 0 | 112.8 | | |
| 56 | H | 49.3 | Very low | 39 | Very low | 180 Ų | 180 | 125 Ų | 125 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | | | trans | 103.3 | 80.1 | 153.5 | -52.9 | -172.5 | 0 | 0 | 0 | 117 | | |
| 57 | F | 33.6 | Very low | 39.6 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | | | | -152.4 | 80.2 | 124.3 | -147.2 | -104.7 | 0 | 0 | 0 | 108.8 | T59 | F57-T59 VanDerWaalsContact C-N 3.27Å; F57-T59 VanDerWaalsContact CD1-OG1 3.27Å; F57-T59 WeakPolarHBondContact CD1-OG1 3.32Å; F57-T59 WeakPolarHBondContact CE1-OG1 3.3Å; F57-T59 PolarHBondContact O-N 3.29Å; F57-T59 VanDerWaalsContact O-N 3.12Å |
| 58 | S | 41.3 | Very low | 40 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | trans | -78.2 | 85.6 | 165.9 | -159.2 | 0 | 0 | 0 | 0 | 106.9 | S60 | S58-S60 PolarHBondContact O-N 3.29Å; S58-S60 VanDerWaalsContact O-N 3.15Å |
| 59 | T | 37.3 | Very low | 39.7 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | trans | -74.5 | 95.4 | 154.1 | -66.4 | 0 | 0 | 0 | 0 | 105 | F57 A61 | F57-T59 VanDerWaalsContact C-N 3.27Å; F57-T59 VanDerWaalsContact CD1-OG1 3.27Å; F57-T59 WeakPolarHBondContact CD1-OG1 3.32Å; F57-T59 WeakPolarHBondContact CE1-OG1 3.3Å; F57-T59 PolarHBondContact O-N 3.29Å; F57-T59 VanDerWaalsContact O-N 3.12Å; T59-A61 PolarHBondContact O-N 3.2Å |
| 60 | S | 37.7 | Very low | 39.9 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | trans | -58.4 | 84.3 | 164.5 | 56.9 | 0 | 0 | 0 | 0 | 108.4 | S58 L62 | S58-S60 PolarHBondContact O-N 3.29Å; S58-S60 VanDerWaalsContact O-N 3.15Å; S60-L62 PolarHBondContact O-N 2.97Å |
| 61 | A | 42.8 | Very low | 40.1 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | | | trans | -71.3 | 85.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | T59 | T59-A61 PolarHBondContact O-N 3.2Š|
| 62 | L | 37.8 | Very low | 40.4 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | -46.5 | 127.3 | 162 | -64.6 | 166.8 | 0 | 0 | 0 | 107.1 | S60 V64 | S60-L62 PolarHBondContact O-N 2.97Å; L62-V64 PolarHBondContact O-N 3.35Å |
| 63 | P | 43 | Very low | 40.6 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -67.3 | 94.1 | 159.5 | 28.6 | -29.3 | 0 | 0 | 0 | 105.2 | S65 | P63-S65 PolarHBondContact O-N 2.78Š|
| 64 | V | 39.8 | Very low | 40.9 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | | | trans | -63.1 | 94.6 | 162.3 | 72.1 | 0 | 0 | 0 | 0 | 104.7 | L62 V66 | L62-V64 PolarHBondContact O-N 3.35Å; V64-V66 HydrophobicContact CG1-CG2 4.12Å; V64-V66 HydrophobicContact CG2-CG2 4.42Å; V64-V66 PolarHBondContact O-N 2.93Å |
| 65 | S | 45.3 | Very low | 41.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | -71.9 | 77.7 | 177 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | P63 R67 | P63-S65 PolarHBondContact O-N 2.78Å; S65-R67 PolarHBondContact O-N 3.09Å; S65-R67 VanDerWaalsContact O-N 3.09Å |
| 66 | V | 41.5 | Very low | 40.6 | Very low | 59 Ų | 59 | 139.7 Ų | 139.7 | 36% | 0.358 | 75% | 0.745 | S | S | . | * | | | trans | -61.4 | 111.1 | 164.9 | -177 | 0 | 0 | 0 | 0 | 105.2 | V64 G68 W69 | V64-V66 HydrophobicContact CG1-CG2 4.12Å; V64-V66 HydrophobicContact CG2-CG2 4.42Å; V64-V66 PolarHBondContact O-N 2.93Å; V66-G68 PolarHBondContact O-N 2.82Å; V66-W69 PolarHBondContact O-N 3.02Å; V66-W69 VanDerWaalsContact O-N 3.12Å |
| 67 | R | 47.4 | Very low | 40.4 | Very low | 250 Ų | 250 | 134.8 Ų | 134.8 | 94% | 0.943 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 104.5 | 167.9 | -87.4 | -178.2 | -93.8 | -115.8 | -1.7 | 107.6 | S65 | S65-R67 PolarHBondContact O-N 3.09Å; S65-R67 VanDerWaalsContact O-N 3.09Å |
| 68 | G | 40.5 | Very low | 41 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.5 | -10.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | V66 | V66-G68 PolarHBondContact O-N 2.82Š|
| 69 | W | 37.5 | Very low | 41.1 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | | | trans | -99.9 | 108.9 | 173.7 | -90.9 | -5.5 | 0 | 0 | 0 | 112.1 | V66 | V66-W69 PolarHBondContact O-N 3.02Å; V66-W69 VanDerWaalsContact O-N 3.12Å |
| 70 | S | 40 | Very low | 41.3 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -102 | 106.9 | 166.3 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | R72 | S70-R72 PolarHBondContact O-N 2.93Å; S70-R72 VanDerWaalsContact O-N 3.08Å |
| 71 | Q | 38.7 | Very low | 41.5 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | trans | -71 | 99 | 168.5 | -72.5 | -175.8 | 49 | 0 | 0 | 107.9 | | |
| 72 | R | 41.6 | Very low | 41.3 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -90.6 | 126.9 | 164.5 | -66.6 | -152.2 | -64.6 | -91.1 | 3.9 | 108.5 | S70 F74 | S70-R72 PolarHBondContact O-N 2.93Å; S70-R72 VanDerWaalsContact O-N 3.08Å; R72-F74 PolarHBondContact O-N 3.47Å |
| 73 | P | 41.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | trans | -67.3 | 108.2 | 168.2 | 10.7 | -4.1 | 0 | 0 | 0 | 108.1 | K75 | P73-K75 PolarHBondContact O-N 3.3Š|
| 74 | F | 39.6 | Very low | 41.5 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | | | trans | -79.4 | 107.7 | 170.3 | -150.6 | -94.4 | 0 | 0 | 0 | 107.3 | R72 D76 | R72-F74 PolarHBondContact O-N 3.47Å; F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 HydrophobicContact CD1-CB 4.13Å; F74-D76 VanDerWaalsContact CD1-OD2 3.27Å; F74-D76 WeakPolarHBondContact CD1-OD2 3.45Å; F74-D76 HydrophobicContact CE1-CB 4.5Å; F74-D76 WeakPolarHBondContact CE1-OD2 3.35Å; F74-D76 PolarHBondContact O-N 3.17Å; F74-D76 VanDerWaalsContact O-N 3.12Å |
| 75 | K | 40.8 | Very low | 41.7 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | trans | -85.5 | 77 | 175.9 | -164 | 117.2 | 76.8 | 178.2 | 0 | 108 | P73 | P73-K75 PolarHBondContact O-N 3.3Š|
| 76 | D | 37 | Very low | 41.5 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | | | trans | -77.7 | 123.7 | 166.3 | -114.9 | -46.5 | 0 | 0 | 0 | 108.5 | F74 G78 | F74-D76 VanDerWaalsContact C-N 3.28Å; F74-D76 HydrophobicContact CD1-CB 4.13Å; F74-D76 VanDerWaalsContact CD1-OD2 3.27Å; F74-D76 WeakPolarHBondContact CD1-OD2 3.45Å; F74-D76 HydrophobicContact CE1-CB 4.5Å; F74-D76 WeakPolarHBondContact CE1-OD2 3.35Å; F74-D76 PolarHBondContact O-N 3.17Å; F74-D76 VanDerWaalsContact O-N 3.12Å; D76-G78 PolarHBondContact O-N 3.05Å |
| 77 | G | 44.6 | Very low | 41.4 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -60.7 | 107.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 78 | G | 45.3 | Very low | 40.9 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 75.3 | 67.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D76 | D76-G78 PolarHBondContact O-N 3.05Š|
| 79 | R | 43.2 | Very low | 40.9 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | | | trans | 179.2 | 105.9 | 134.9 | -98.6 | 176.5 | -132.9 | -121.7 | 8 | 108.4 | S81 | R79-S81 PolarHBondContact O-N 3.26Å; R79-S81 VanDerWaalsContact O-N 3.15Å |
| 80 | V | 41.8 | Very low | 41 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | | | trans | -69.8 | 105.3 | 168.7 | 167.8 | 0 | 0 | 0 | 0 | 107.3 | D82 | V80-D82 WeakPolarHBondContact CG1-OD2 3.05Š|
| 81 | S | 41.4 | Very low | 40.9 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -92.7 | 99.7 | 160.4 | -68.8 | 0 | 0 | 0 | 0 | 106.9 | R79 G83 | R79-S81 PolarHBondContact O-N 3.26Å; R79-S81 VanDerWaalsContact O-N 3.15Å; S81-G83 PolarHBondContact O-N 3.23Å |
| 82 | D | 40.4 | Very low | 40.7 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | | | trans | -61.2 | 95.8 | 171 | -90.7 | -72.2 | 0 | 0 | 0 | 109.8 | V80 | V80-D82 WeakPolarHBondContact CG1-OD2 3.05Š|
| 83 | G | 43.6 | Very low | 40.5 | Very low | 50 Ų | 50 | 122.5 Ų | 122.5 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -166.1 | 133.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S81 R85 | S81-G83 PolarHBondContact O-N 3.23Å; G83-R85 PolarHBondContact O-N 2.8Å |
| 84 | P | 41 | Very low | 40.6 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | | | trans | -68.3 | 99.9 | 177.5 | 27.9 | -32.3 | 0 | 0 | 0 | 108.9 | A86 | P84-A86 PolarHBondContact O-N 3.31Š|
| 85 | R | 44.5 | Very low | 40.8 | Very low | 194 Ų | 194 | 116.4 Ų | 116.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | | | trans | -91.2 | 97.9 | 173.2 | -161 | 170 | -171.5 | -135.5 | -0.4 | 108.4 | G83 S87 S94 | G83-R85 PolarHBondContact O-N 2.8Å; R85-S87 PolarHBondContact O-N 2.78Å; R85-S94 PolarHBondContact NH2-OG 2.84Å |
| 86 | A | 40.8 | Very low | 41.1 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 53% | 0.529 | 69% | 0.686 | S | S | . | * | | | trans | -66.5 | 124.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P84 F100 | P84-A86 PolarHBondContact O-N 3.31Å; A86-F100 HydrophobicContact CB-CE2 3.84Å |
| 87 | S | 37.8 | Very low | 41.6 | Very low | 97 Ų | 97 | 112.6 Ų | 112.6 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | | | trans | -108 | 122 | 171.2 | -170.1 | 0 | 0 | 0 | 0 | 108.4 | R85 | R85-S87 PolarHBondContact O-N 2.78Š|
| 88 | C | 37.5 | Very low | 41.6 | Very low | 52 Ų | 52 | 116.5 Ų | 116.5 | 35% | 0.351 | 69% | 0.69 | S | S | . | * | | | trans | -89.2 | 127.6 | 175 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | C90 C91 M103 | C88-C90 PolarHBondContact O-N 3.14Å; C88-C91 PolarHBondContact O-N 2.97Å; C88-M103 HydrophobicContact CB-SD 4.22Å |
| 89 | S | 40 | Very low | 41.7 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -6.4 | 178.1 | -171.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 90 | C | 39.6 | Very low | 42 | Very low | 110 Ų | 110 | 110.3 Ų | 110.3 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -12 | -180 | -54.5 | 0 | 0 | 0 | 0 | 113.6 | C88 | C88-C90 PolarHBondContact O-N 3.14Š|
| 91 | C | 37.8 | Very low | 42.4 | Very low | 51 Ų | 51 | 111.4 Ų | 111.4 | 35% | 0.345 | 65% | 0.651 | S | S | . | * | | | trans | -137 | 101.1 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | C88 H93 L95 | C88-C91 PolarHBondContact O-N 2.97Å; C91-H93 PolarHBondContact O-N 3.12Å; C91-L95 HydrophobicContact CB-CD1 4.32Å |
| 92 | S | 35.7 | Very low | 42.6 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 88% | 0.881 | 65% | 0.647 | S | S | * | * | | | trans | -70.3 | 11.4 | 173.2 | -59.4 | 0 | 0 | 0 | 0 | 114 | | |
| 93 | H | 37.9 | Very low | 43.2 | Very low | 161 Ų | 161 | 109.1 Ų | 109.1 | 75% | 0.745 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -116.6 | 131.7 | 176.9 | -78.3 | 133.9 | 0 | 0 | 0 | 111.7 | C91 L95 | C91-H93 PolarHBondContact O-N 3.12Å; H93-L95 PolarHBondContact O-N 3.04Å |
| 94 | S | 41.9 | Very low | 43.7 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | | | trans | -59.5 | 97 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | R85 | R85-S94 PolarHBondContact NH2-OG 2.84Š|
| 95 | L | 44.5 | Very low | 44.1 | Very low | 88 Ų | 88 | 111.4 Ų | 111.4 | 46% | 0.461 | 61% | 0.608 | S | S | . | * | | | trans | -81.7 | 140.8 | 179.5 | -70.9 | 164.2 | 0 | 0 | 0 | 112 | C91 H93 C99 M103 | C91-L95 HydrophobicContact CB-CD1 4.32Å; H93-L95 PolarHBondContact O-N 3.04Å; L95-C99 HydrophobicContact CB-CB 3.92Å; L95-C99 HydrophobicContact CD1-CB 4.19Å; L95-M103 HydrophobicContact CD1-CE 4.36Å |
| 96 | P | 46.5 | Very low | 44.1 | Very low | 95 Ų | 95 | 106.1 Ų | 106.1 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | | | trans | -69.7 | 156.5 | 177.5 | 27.6 | -33 | 0 | 0 | 0 | 112.3 | Q98 C99 | P96-Q98 PolarHBondContact O-N 3.12Å; P96-C99 PolarHBondContact O-N 3.15Å |
| 97 | N | 48.6 | Very low | 44.2 | Very low | 151 Ų | 151 | 108.7 Ų | 108.7 | 81% | 0.807 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.6 | -19.4 | -170.3 | -77.1 | -74.5 | 0 | 0 | 0 | 117.5 | | |
| 98 | Q | 43.5 | Very low | 44.5 | Very low | 159 Ų | 159 | 107.5 Ų | 107.5 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.1 | -36 | 177.2 | -72.3 | -92.9 | 60.5 | 0 | 0 | 112.8 | P96 F100 | P96-Q98 PolarHBondContact O-N 3.12Å; Q98-F100 VanDerWaalsContact C-N 3.28Å; Q98-F100 PolarHBondContact O-N 2.75Å |
| 99 | C | 47.3 | Very low | 45 | Very low | 52 Ų | 52 | 109.6 Ų | 109.6 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.5 | -25.6 | 178.8 | -97.1 | 0 | 0 | 0 | 0 | 113.1 | L95 P96 K101 M103 | L95-C99 HydrophobicContact CB-CB 3.92Å; L95-C99 HydrophobicContact CD1-CB 4.19Å; P96-C99 PolarHBondContact O-N 3.15Å; C99-K101 PolarHBondContact O-N 3.26Å; C99-M103 WeakPolarHBondContact O-CB 3.27Å; C99-M103 PolarHBondContact O-N 3Å; C99-M103 VanDerWaalsContact O-N 3.12Å |
| 100 | F | 50.1 | Low | 45.1 | Very low | 121 Ų | 121 | 107.8 Ų | 107.8 | 53% | 0.531 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.5 | -36.5 | -179.3 | -171.1 | -94.2 | 0 | 0 | 0 | 112.3 | A86 Q98 A104 | A86-F100 HydrophobicContact CB-CE2 3.84Å; Q98-F100 VanDerWaalsContact C-N 3.28Å; Q98-F100 PolarHBondContact O-N 2.75Å; F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 3.48Å |
| 101 | K | 49.3 | Very low | 45.2 | Very low | 153 Ų | 153 | 108 Ų | 108 | 67% | 0.665 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -39 | 179.4 | -90.5 | 178 | 171.8 | 177.7 | 0 | 112.8 | C99 R105 | C99-K101 PolarHBondContact O-N 3.26Å; K101-R105 WeakPolarHBondContact O-CG 3.42Å; K101-R105 PolarHBondContact O-N 3.49Å |
| 102 | E | 46.8 | Very low | 45.3 | Very low | 144 Ų | 144 | 112.3 Ų | 112.3 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.1 | -46.4 | 177 | -149.6 | 84.7 | -154.9 | 0 | 0 | 110.4 | R105 S106 | E102-R105 PolarHBondContact O-N 2.92Å; E102-S106 PolarHBondContact O-N 3.14Å; E102-S106 VanDerWaalsContact O-N 3.14Å |
| 103 | M | 52 | Low | 45.3 | Very low | 78 Ų | 78 | 107.7 Ų | 107.7 | 38% | 0.384 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | -177.2 | -142 | 174.6 | -73.4 | 0 | 0 | 111.5 | C88 L95 C99 R105 S106 F107 | C88-M103 HydrophobicContact CB-SD 4.22Å; L95-M103 HydrophobicContact CD1-CE 4.36Å; C99-M103 WeakPolarHBondContact O-CB 3.27Å; C99-M103 PolarHBondContact O-N 3Å; C99-M103 VanDerWaalsContact O-N 3.12Å; M103-R105 PolarHBondContact O-N 3.35Å; M103-S106 PolarHBondContact O-N 3.23Å; M103-F107 WeakPolarHBondContact O-CB 3.4Å; M103-F107 PolarHBondContact O-N 3.08Å |
| 104 | A | 54.8 | Low | 45.5 | Very low | 41 Ų | 41 | 104.9 Ų | 104.9 | 34% | 0.339 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.6 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F100 F107 C108 | F100-A104 WeakPolarHBondContact O-CB 3.47Å; F100-A104 PolarHBondContact O-N 3.48Å; A104-F107 PolarHBondContact O-N 3.48Å; A104-C108 WeakPolarHBondContact O-CB 3.41Å; A104-C108 PolarHBondContact O-N 3.46Å; A104-C108 PolarHBondContact O-SG 3.48Å |
| 105 | R | 48.3 | Very low | 45.4 | Very low | 192 Ų | 192 | 106.2 Ų | 106.2 | 73% | 0.725 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -43.8 | 175.3 | -79.9 | 177.9 | 166.1 | -175.4 | -4.6 | 111.8 | K101 E102 M103 C108 V109 | K101-R105 WeakPolarHBondContact O-CG 3.42Å; K101-R105 PolarHBondContact O-N 3.49Å; E102-R105 PolarHBondContact O-N 2.92Å; M103-R105 PolarHBondContact O-N 3.35Å; R105-C108 PolarHBondContact O-N 3.32Å; R105-V109 WeakPolarHBondContact O-CG2 3.38Å; R105-V109 PolarHBondContact O-N 2.96Å |
| 106 | S | 45.3 | Very low | 45.5 | Very low | 82 Ų | 82 | 114 Ų | 114 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -41.5 | 177 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | E102 M103 C108 V109 A110 | E102-S106 PolarHBondContact O-N 3.14Å; E102-S106 VanDerWaalsContact O-N 3.14Å; M103-S106 PolarHBondContact O-N 3.23Å; S106-C108 PolarHBondContact O-N 3.23Å; S106-V109 PolarHBondContact O-N 3.12Å; S106-A110 PolarHBondContact O-N 3.32Å |
| 107 | F | 43.5 | Very low | 45.2 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | 177.9 | -131.8 | -95.6 | 0 | 0 | 0 | 112.9 | M103 A104 V109 A110 I111 | M103-F107 WeakPolarHBondContact O-CB 3.4Å; M103-F107 PolarHBondContact O-N 3.08Å; A104-F107 PolarHBondContact O-N 3.48Å; F107-V109 VanDerWaalsContact C-N 3.32Å; F107-V109 PolarHBondContact O-N 3.02Å; F107-A110 PolarHBondContact O-N 2.96Å; F107-I111 HydrophobicContact CD1-CD1 4.36Å; F107-I111 HydrophobicContact CD1-CG1 3.67Å; F107-I111 HydrophobicContact CE1-CD1 4.02Å; F107-I111 HydrophobicContact CE1-CG1 3.85Å; F107-I111 WeakPolarHBondContact O-CB 3.1Å; F107-I111 WeakPolarHBondContact O-CG1 3.21Å; F107-I111 PolarHBondContact O-N 3.34Å |
| 108 | C | 44.4 | Very low | 45.1 | Very low | 73 Ų | 73 | 112.5 Ų | 112.5 | 49% | 0.493 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.4 | -39.4 | 173.9 | -74.8 | 0 | 0 | 0 | 0 | 112 | A104 R105 S106 L112 | A104-C108 WeakPolarHBondContact O-CB 3.41Å; A104-C108 PolarHBondContact O-N 3.46Å; A104-C108 PolarHBondContact O-SG 3.48Å; R105-C108 PolarHBondContact O-N 3.32Å; S106-C108 PolarHBondContact O-N 3.23Å; C108-L112 VanDerWaalsContact O-CB 3.3Å; C108-L112 WeakPolarHBondContact O-CB 3.27Å; C108-L112 PolarHBondContact O-N 3.06Å |
| 109 | V | 46.2 | Very low | 44.9 | Very low | 96 Ų | 96 | 114.2 Ų | 114.2 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.2 | -35.9 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | R105 S106 F107 G113 | R105-V109 WeakPolarHBondContact O-CG2 3.38Å; R105-V109 PolarHBondContact O-N 2.96Å; S106-V109 PolarHBondContact O-N 3.12Å; F107-V109 VanDerWaalsContact C-N 3.32Å; F107-V109 PolarHBondContact O-N 3.02Å; V109-G113 WeakPolarHBondContact O-CA 3.4Å; V109-G113 PolarHBondContact O-N 3.27Å |
| 110 | A | 43.9 | Very low | 44.4 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.5 | -37.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S106 F107 | S106-A110 PolarHBondContact O-N 3.32Å; F107-A110 PolarHBondContact O-N 2.96Å |
| 111 | I | 41 | Very low | 44.3 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 60% | 0.595 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.4 | -37.7 | -177.7 | -62.8 | -73.1 | 0 | 0 | 0 | 111.9 | F107 | F107-I111 HydrophobicContact CD1-CD1 4.36Å; F107-I111 HydrophobicContact CD1-CG1 3.67Å; F107-I111 HydrophobicContact CE1-CD1 4.02Å; F107-I111 HydrophobicContact CE1-CG1 3.85Å; F107-I111 WeakPolarHBondContact O-CB 3.1Å; F107-I111 WeakPolarHBondContact O-CG1 3.21Å; F107-I111 PolarHBondContact O-N 3.34Å |
| 112 | L | 40.8 | Very low | 43.9 | Very low | 141 Ų | 141 | 123.1 Ų | 123.1 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -99.8 | -11.4 | -174.1 | -65.4 | 165 | 0 | 0 | 0 | 113.5 | C108 | C108-L112 VanDerWaalsContact O-CB 3.3Å; C108-L112 WeakPolarHBondContact O-CB 3.27Å; C108-L112 PolarHBondContact O-N 3.06Å |
| 113 | G | 35.5 | Very low | 43.9 | Very low | 29 Ų | 29 | 124.4 Ų | 124.4 | 30% | 0.299 | 67% | 0.667 | S | S | . | * | | | trans | 61.3 | 166.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V109 | V109-G113 WeakPolarHBondContact O-CA 3.4Å; V109-G113 PolarHBondContact O-N 3.27Å |
| 114 | P | 42.3 | Very low | 43.3 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -61.2 | 135.7 | 175 | 23.9 | -30 | 0 | 0 | 0 | 109.3 | R116 | P114-R116 PolarHBondContact O-N 3.02Š|
| 115 | P | 39.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | | | trans | -61.8 | 114.1 | 176.8 | 26.3 | -31.8 | 0 | 0 | 0 | 107.2 | S117 | P115-S117 PolarHBondContact O-N 2.92Š|
| 116 | R | 46.5 | Very low | 42.7 | Very low | 252 Ų | 252 | 132.6 Ų | 132.6 | 95% | 0.951 | 70% | 0.697 | S | S | * | * | | | trans | -70.3 | 71.3 | 172 | -79.7 | -175 | 167.5 | -135.8 | 0.5 | 109 | P114 S118 | P114-R116 PolarHBondContact O-N 3.02Å; R116-S118 PolarHBondContact O-N 3.44Å |
| 117 | S | 40.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | trans | -83.5 | 97.2 | 163.8 | 73.3 | 0 | 0 | 0 | 0 | 108.4 | P115 Q119 | P115-S117 PolarHBondContact O-N 2.92Å; S117-Q119 PolarHBondContact O-N 3.38Å |
| 118 | S | 45.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | 10.2 | 93.6 | 150.1 | 178.3 | 0 | 0 | 0 | 0 | 116.2 | R116 | R116-S118 PolarHBondContact O-N 3.44Š|
| 119 | Q | 38.7 | Very low | 41.9 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | | | trans | -125.9 | 117.7 | 154 | -110.7 | -177.8 | -27.8 | 0 | 0 | 109.5 | S117 | S117-Q119 PolarHBondContact O-N 3.38Š|
| 120 | R | 37.7 | Very low | 41.6 | Very low | 234 Ų | 234 | 143.8 Ų | 143.8 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | trans | -61.1 | 161.3 | 179.7 | -87.9 | -165.9 | -80.6 | -140.3 | -1.7 | 112.4 | L122 | R120-L122 PolarHBondContact O-N 3.47Š|
| 121 | P | 47.2 | Very low | 41.5 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -85.1 | 108.9 | -169.9 | 32.8 | -29.5 | 0 | 0 | 0 | 110.6 | | |
| 122 | L | 42 | Very low | 41.7 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -139.1 | 101 | 158.5 | -85.8 | 173.7 | 0 | 0 | 0 | 109.2 | R120 | R120-L122 PolarHBondContact O-N 3.47Š|
| 123 | Q | 47.1 | Very low | 41.6 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 44.8 | 122.5 | 135.8 | -62.6 | -69.6 | 4.5 | 0 | 0 | 118.6 | | |
| 124 | H | 39.1 | Very low | 41.7 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | | | trans | 86.5 | 130.2 | 134.8 | -164.7 | -109.5 | 0 | 0 | 0 | 118 | | |
| 125 | R | 41.8 | Very low | 41.4 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | | | trans | 97.7 | 107.5 | 150 | -153 | 79 | 122.5 | 121.6 | -0.5 | 117.6 | | |
| 126 | E | 47.4 | Very low | 41.1 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 34.9 | 115.2 | 142.4 | -61.6 | -169.6 | 82.7 | 0 | 0 | 119.9 | | |
| 127 | R | 38.1 | Very low | 40.4 | Very low | 243 Ų | 243 | 140.7 Ų | 140.7 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | | -173.8 | 120.8 | 118.3 | -102.8 | 172 | -144.5 | -107 | 1.8 | 108.1 | Q129 | R127-Q129 PolarHBondContact O-N 3.12Š|
| 128 | G | 39.7 | Very low | 40.1 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -53.3 | 129.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A130 | G128-A130 PolarHBondContact O-N 3.02Š|
| 129 | Q | 39.9 | Very low | 39.9 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | | | trans | -37.5 | 121.4 | 171.2 | -93.4 | 81.1 | 2.9 | 0 | 0 | 112.4 | R127 A131 | R127-Q129 PolarHBondContact O-N 3.12Å; Q129-A131 PolarHBondContact O-N 2.97Å; Q129-A131 VanDerWaalsContact O-N 3.14Å |
| 130 | A | 39 | Very low | 39.9 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -65.5 | 108.2 | 154 | 0 | 0 | 0 | 0 | 0 | 107.4 | G128 | G128-A130 PolarHBondContact O-N 3.02Š|
| 131 | A | 41.9 | Very low | 40 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | | | trans | -57.9 | 144.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q129 T133 | Q129-A131 PolarHBondContact O-N 2.97Å; Q129-A131 VanDerWaalsContact O-N 3.14Å; A131-T133 PolarHBondContact O-N 2.96Å |
| 132 | P | 44.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -62 | 111.1 | 167.3 | 26.5 | -30.9 | 0 | 0 | 0 | 107.2 | S134 | P132-S134 PolarHBondContact O-N 2.78Š|
| 133 | T | 40 | Very low | 39.5 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | -55.6 | 113.6 | 171.6 | 47.1 | 0 | 0 | 0 | 0 | 107.7 | A131 C135 | A131-T133 PolarHBondContact O-N 2.96Å; T133-C135 PolarHBondContact O-N 3.15Å |
| 134 | S | 36.4 | Very low | 39 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | -37.8 | 123 | 166 | 167.7 | 0 | 0 | 0 | 0 | 109.9 | P132 S136 | P132-S134 PolarHBondContact O-N 2.78Å; S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 2.75Å |
| 135 | C | 36.5 | Very low | 39 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -66.5 | 96.5 | 164.8 | -66.2 | 0 | 0 | 0 | 0 | 107.6 | T133 C137 | T133-C135 PolarHBondContact O-N 3.15Å; C135-C137 PolarHBondContact O-N 3Å |
| 136 | S | 32.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | -74.6 | 117.5 | 163.2 | -76.4 | 0 | 0 | 0 | 0 | 108.2 | S134 | S134-S136 VanDerWaalsContact C-N 3.33Å; S134-S136 PolarHBondContact O-N 2.75Å |
| 137 | C | 33.5 | Very low | 38 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | | | trans | -85.4 | 114.3 | 161.8 | -59 | 0 | 0 | 0 | 0 | 107 | C135 | C135-C137 PolarHBondContact O-N 3Š|
| 138 | E | 33.8 | Very low | 38 | Very low | 270 Ų | 270 | 127.7 Ų | 127.7 | 100% | 1.262 | 82% | 0.82 | S | S | * | * | | | trans | -77.4 | 0 | 157.2 | -88.2 | -171.5 | 90.5 | 0 | 0 | 110.2 | | |