| 1 | A | 52.4 | Low | 60.8 | Low | 149 Ų | 149 | 147.5 Ų | 147.5 | 100% | 1.231 | 87% | 0.868 | S | S | * | * | | | | 0 | 104.2 | 0 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 2 | E | 52.4 | Low | 60.2 | Low | 195 Ų | 195 | 149.8 Ų | 149.8 | 91% | 0.911 | 86% | 0.864 | S | S | * | * | | | trans | -95.5 | 123.7 | 178.3 | -65.9 | 178.1 | 100.3 | 0 | 0 | 106.8 | | |
| 3 | S | 63.2 | Low | 59.7 | Low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 86% | 0.86 | S | S | * | * | | | trans | -90 | 110.8 | -178.6 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | Q5 | S3-Q5 PolarHBondContact O-N 3.04Š|
| 4 | E | 66.8 | Low | 59.5 | Low | 195 Ų | 195 | 150.4 Ų | 150.4 | 91% | 0.911 | 86% | 0.86 | S | S | * | * | | | trans | -76 | 112.2 | 169.1 | -64.6 | 176.7 | 101.4 | 0 | 0 | 108.7 | G6 | E4-G6 PolarHBondContact O-N 2.94Š|
| 5 | Q | 65.2 | Low | 59.2 | Low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | | | trans | -89 | 104.4 | 176.6 | -67.1 | 161.4 | 97.8 | 0 | 0 | 107.7 | S3 | S3-Q5 PolarHBondContact O-N 3.04Š|
| 6 | G | 63.9 | Low | 59.1 | Low | 74 Ų | 74 | 148.9 Ų | 148.9 | 76% | 0.763 | 86% | 0.862 | S | S | * | * | | | trans | -71.4 | 139.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E4 | E4-G6 PolarHBondContact O-N 2.94Š|
| 7 | W | 65.2 | Low | 58.8 | Low | 249 Ų | 249 | 145.8 Ų | 145.8 | 94% | 0.943 | 86% | 0.858 | S | S | * | * | | | trans | -74.6 | 131.7 | 173.2 | -85.8 | 73.6 | 0 | 0 | 0 | 111.4 | | |
| 8 | D | 70.1 | Confident | 58.4 | Low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 86% | 0.855 | S | S | * | * | | | trans | -95.4 | 91.8 | 173.8 | 52.5 | -29.1 | 0 | 0 | 0 | 110.4 | E10 | D8-E10 PolarHBondContact O-N 3.17Š|
| 9 | G | 61.7 | Low | 58.3 | Low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 86% | 0.861 | S | S | * | * | | | trans | -71.7 | 93.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 10 | E | 55.6 | Low | 57.8 | Low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 86% | 0.859 | S | S | * | * | | | trans | -116.9 | 100.3 | 168.5 | -46.8 | -157.7 | 147.6 | 0 | 0 | 110.1 | D8 | D8-E10 PolarHBondContact O-N 3.17Š|
| 11 | G | 52.8 | Low | 57.3 | Low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 86% | 0.857 | S | S | * | * | | | trans | -122.3 | 100.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G13 | G11-G13 PolarHBondContact O-N 3.34Š|
| 12 | E | 53.8 | Low | 57.2 | Low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | | | trans | -90.2 | 97.5 | 173.2 | -67.8 | -169.6 | 104.3 | 0 | 0 | 110.8 | | |
| 13 | G | 53.7 | Low | 57.5 | Low | 79 Ų | 79 | 133.5 Ų | 133.5 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | -86.8 | 114 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G11 | G11-G13 PolarHBondContact O-N 3.34Š|
| 14 | R | 56.6 | Low | 57.3 | Low | 228 Ų | 228 | 140.5 Ų | 140.5 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | | | trans | -102.6 | 98.9 | 166.1 | -66.3 | -174.7 | -174 | -122 | -1.3 | 109.5 | | |
| 15 | G | 54.3 | Low | 56.1 | Low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 119.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 16 | E | 58 | Low | 55.4 | Low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 118.6 | 168.5 | -167.7 | 174.4 | 131.7 | 0 | 0 | 108.9 | G18 | E16-G18 PolarHBondContact O-N 3.38Š|
| 17 | A | 54.4 | Low | 54.8 | Low | 97 Ų | 97 | 130.5 Ų | 130.5 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 122.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 18 | G | 51.5 | Low | 54.8 | Low | 78 Ų | 78 | 124.6 Ų | 124.6 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67 | 144.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | E16 G20 | E16-G18 PolarHBondContact O-N 3.38Å; G18-G20 PolarHBondContact O-N 3.09Å |
| 19 | R | 56.7 | Low | 53.8 | Low | 257 Ų | 257 | 124.3 Ų | 124.3 | 97% | 0.97 | 84% | 0.837 | S | S | * | * | | | trans | -86.5 | 102.1 | 167.6 | -65.6 | -175.6 | -162.3 | -116.3 | 2.3 | 109.4 | | |
| 20 | G | 47.8 | Very low | 52.9 | Low | 79 Ų | 79 | 123.9 Ų | 123.9 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | | | trans | -104.1 | 115.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G18 | G18-G20 PolarHBondContact O-N 3.09Š|
| 21 | G | 48.4 | Very low | 53.2 | Low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73 | 166.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 22 | A | 50 | Low | 52.8 | Low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140.7 | -168 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 23 | G | 58.9 | Low | 52.8 | Low | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 158.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 24 | R | 57.8 | Low | 52.6 | Low | 255 Ų | 255 | 119.9 Ų | 119.9 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | | | trans | -179 | 136 | 146 | -100.1 | 171 | -154.2 | -72.7 | 0.4 | 108.7 | | |
| 25 | G | 42.1 | Very low | 52.3 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 131.7 | 89.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 26 | G | 49.7 | Very low | 52.6 | Low | 86 Ų | 86 | 118.1 Ų | 118.1 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | | | trans | -76.5 | 124.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 27 | G | 51.4 | Low | 52.7 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | 47.8 | 173.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 28 | P | 66.5 | Low | 52.8 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | cis | -119.9 | 159.1 | -37.5 | 35.4 | -21.1 | 0 | 0 | 0 | 110.6 | | |
| 29 | P | 48 | Very low | 53.4 | Low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | trans | -131.8 | 126.8 | 134.8 | 31.9 | -19.3 | 0 | 0 | 0 | 108.6 | | |
| 30 | G | 43.6 | Very low | 53.4 | Low | 70 Ų | 70 | 119.2 Ų | 119.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | | 87.3 | 101.1 | 60 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 31 | E | 61.2 | Low | 54.1 | Low | 206 Ų | 206 | 122.1 Ų | 122.1 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | | | trans | -42.9 | 134.1 | -179.1 | -73.2 | 150.5 | 101.7 | 0 | 0 | 113.5 | | |
| 32 | G | 43.5 | Very low | 54.6 | Low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -169 | 102.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 33 | G | 54.2 | Low | 55.2 | Low | 89 Ų | 89 | 131 Ų | 131 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | | | trans | -72.4 | 165.7 | -158.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 34 | G | 50.5 | Low | 55.7 | Low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | 173 | 115.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 35 | Q | 49.6 | Very low | 56.2 | Low | 160 Ų | 160 | 120.8 Ų | 120.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | 66.8 | 90.1 | 177.4 | 64.6 | -107.4 | 5.5 | 0 | 0 | 119.2 | Q37 | Q35-Q37 HydrophobicContact CB-CB 4.28Å; Q35-Q37 HydrophobicContact CB-CG 4.35Å; Q35-Q37 PolarHBondContact O-N 3.26Å |
| 36 | A | 60.9 | Low | 57.6 | Low | 110 Ų | 110 | 120.7 Ų | 120.7 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | | | trans | -67.5 | 77.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 37 | Q | 60.7 | Low | 58.5 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | | | trans | -139 | 115.6 | 169.7 | -65.4 | -172 | 105.2 | 0 | 0 | 109.8 | Q35 | Q35-Q37 HydrophobicContact CB-CB 4.28Å; Q35-Q37 HydrophobicContact CB-CG 4.35Å; Q35-Q37 PolarHBondContact O-N 3.26Å |
| 38 | H | 56.8 | Low | 59.6 | Low | 166 Ų | 166 | 123.8 Ų | 123.8 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 82.6 | 81.9 | 175.1 | -66.5 | -133.1 | 0 | 0 | 0 | 115.1 | S40 | H38-S40 PolarHBondContact O-N 3.48Š|
| 39 | R | 62.8 | Low | 59.8 | Low | 252 Ų | 252 | 126.2 Ų | 126.2 | 95% | 0.951 | 72% | 0.716 | S | S | * | * | | | trans | -50.8 | 91.3 | 135.7 | -71.8 | -174.9 | -172.6 | -176.2 | 2.5 | 108.9 | | |
| 40 | S | 57.8 | Low | 60.5 | Low | 78 Ų | 78 | 126.6 Ų | 126.6 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | | | trans | -142.7 | 76.5 | 151.3 | -53.5 | 0 | 0 | 0 | 0 | 105.7 | H38 R42 | H38-S40 PolarHBondContact O-N 3.48Å; S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.5Å |
| 41 | V | 62 | Low | 61.7 | Low | 140 Ų | 140 | 125.6 Ų | 125.6 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | | | trans | -42.4 | 110.5 | 146.6 | 177.7 | 0 | 0 | 0 | 0 | 104.3 | E43 | V41-E43 PolarHBondContact O-N 2.95Š|
| 42 | R | 59.7 | Low | 62.2 | Low | 179 Ų | 179 | 116.8 Ų | 116.8 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | | | trans | -33.3 | 107.6 | -173.5 | -171.3 | -179.9 | -84.7 | -152.1 | -1.2 | 108.7 | S40 G44 D48 | S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.5Å; R42-G44 PolarHBondContact O-N 3.48Å; R42-D48 IonicContact NH1-OD2 2.9Å; R42-D48 PolarHBondContact NH1-OD2 3.19Å |
| 43 | E | 62.6 | Low | 63.9 | Low | 193 Ų | 193 | 116.8 Ų | 116.8 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -78.7 | 47.5 | -168.8 | -165.1 | 179.4 | 179.8 | 0 | 0 | 110 | V41 | V41-E43 PolarHBondContact O-N 2.95Š|
| 44 | G | 68.9 | Low | 65.1 | Low | 38 Ų | 38 | 120.8 Ų | 120.8 | 39% | 0.392 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -158.6 | 148.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R42 D46 | R42-G44 PolarHBondContact O-N 3.48Å; G44-D46 PolarHBondContact O-N 2.95Å |
| 45 | P | 67.1 | Low | 66.5 | Low | 71 Ų | 71 | 123 Ų | 123 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | | | trans | -53.5 | 139.9 | 177.3 | 21.8 | -30.2 | 0 | 0 | 0 | 109.7 | L47 E56 | P45-L47 HydrophobicContact CB-CD2 4.22Å; P45-L47 HydrophobicContact CG-CD2 4.08Å; P45-L47 HydrophobicContact CG-CG 4.28Å; P45-L47 PolarHBondContact O-N 3.11Å; P45-E56 WeakPolarHBondContact CG-OE2 3.33Å |
| 46 | D | 71.8 | Confident | 67.8 | Low | 79 Ų | 79 | 119 Ų | 119 | 42% | 0.422 | 62% | 0.615 | S | S | . | * | | | trans | -71.9 | 73.7 | 178.2 | -179 | 20.4 | 0 | 0 | 0 | 109.8 | G44 D48 R49 S52 | G44-D46 PolarHBondContact O-N 2.95Å; D46-D48 PolarHBondContact O-N 3.29Å; D46-R49 PolarHBondContact O-N 3.09Å; D46-S52 WeakPolarHBondContact O-CB 3.36Å; D46-S52 PolarHBondContact O-OG 3.01Å |
| 47 | L | 68.7 | Low | 68.6 | Low | 100 Ų | 100 | 120.5 Ų | 120.5 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -16.4 | -177.6 | -63 | 179.4 | 0 | 0 | 0 | 113 | P45 R49 E56 | P45-L47 HydrophobicContact CB-CD2 4.22Å; P45-L47 HydrophobicContact CG-CD2 4.08Å; P45-L47 HydrophobicContact CG-CG 4.28Å; P45-L47 PolarHBondContact O-N 3.11Å; L47-R49 PolarHBondContact O-N 3.24Å; L47-E56 WeakPolarHBondContact CD2-OE2 3.24Å |
| 48 | D | 75.3 | Confident | 69.5 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -11.9 | -179.4 | -62.1 | -43.6 | 0 | 0 | 0 | 112.1 | R42 D46 | R42-D48 IonicContact NH1-OD2 2.9Å; R42-D48 PolarHBondContact NH1-OD2 3.19Å; D46-D48 PolarHBondContact O-N 3.29Å |
| 49 | R | 70.1 | Confident | 70.5 | Confident | 176 Ų | 176 | 115.6 Ų | 115.6 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -86.5 | 127.9 | 178.1 | -141.6 | 172.5 | -172.3 | 175.2 | 2.8 | 110.8 | D46 L47 G51 S52 | D46-R49 PolarHBondContact O-N 3.09Å; L47-R49 PolarHBondContact O-N 3.24Å; R49-G51 PolarHBondContact O-N 3.49Å; R49-S52 PolarHBondContact O-N 2.76Å; R49-S52 PolarHBondContact O-OG 3.44Å |
| 50 | P | 62.8 | Low | 71.2 | Confident | 136 Ų | 136 | 106.2 Ų | 106.2 | 88% | 0.883 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 111.9 | 175.4 | 23 | -31.8 | 0 | 0 | 0 | 109.4 | | |
| 51 | G | 69.4 | Low | 71.9 | Confident | 50 Ų | 50 | 110.7 Ų | 110.7 | 52% | 0.515 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 119.5 | -14.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | R49 R54 Q55 | R49-G51 PolarHBondContact O-N 3.49Å; G51-R54 PolarHBondContact O-N 3.31Å; G51-Q55 PolarHBondContact O-N 3.31Å; G51-Q55 VanDerWaalsContact O-N 3.17Å |
| 52 | S | 71.6 | Confident | 72.2 | Confident | 20 Ų | 20 | 105.6 Ų | 105.6 | 14% | 0.14 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -68.9 | -39.7 | -179 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | D46 R49 R54 Q55 E56 | D46-S52 WeakPolarHBondContact O-CB 3.36Å; D46-S52 PolarHBondContact O-OG 3.01Å; R49-S52 PolarHBondContact O-N 2.76Å; R49-S52 PolarHBondContact O-OG 3.44Å; S52-R54 VanDerWaalsContact C-N 3.32Å; S52-R54 PolarHBondContact O-N 3.11Å; S52-Q55 PolarHBondContact O-N 3.02Å; S52-E56 WeakPolarHBondContact O-CB 3.49Å; S52-E56 PolarHBondContact O-N 3.01Å |
| 53 | D | 79.1 | Confident | 72.5 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 42% | 0.422 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 173.9 | 172.7 | -92.3 | 0 | 0 | 0 | 111.7 | E56 R57 | D53-E56 PolarHBondContact O-N 3.46Å; D53-R57 PolarHBondContact OD2-NH2 2.8Å; D53-R57 IonicContact OD2-NH2 2.73Å; D53-R57 VanDerWaalsContact OD2-NE 3.11Å; D53-R57 PolarHBondContact OD2-NE 3.25Å; D53-R57 IonicContact OD2-NE 3.11Å; D53-R57 IonicContact OD1-NE 2.76Å; D53-R57 VanDerWaalsContact OD2-CZ 3.28Å; D53-R57 IonicContact OD2-CZ 3.28Å; D53-R57 PolarHBondContact OD1-NE 2.56Å; D53-R57 IonicContact OD1-NH2 3.59Å; D53-R57 VanDerWaalsContact CG-NE 3.25Å; D53-R57 WeakPolarHBondContact O-CB 3.2Å; D53-R57 PolarHBondContact O-N 3.16Å; D53-R57 IonicContact OD1-CZ 3.62Å; D53-R57 WeakPolarHBondContact O-CG 3.46Å |
| 54 | R | 78.3 | Confident | 72.4 | Confident | 173 Ų | 173 | 97.5 Ų | 97.5 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 178 | -177.3 | 179.3 | 175.6 | 159.7 | 3.4 | 111.5 | G51 S52 E56 R57 E58 | G51-R54 PolarHBondContact O-N 3.31Å; S52-R54 VanDerWaalsContact C-N 3.32Å; S52-R54 PolarHBondContact O-N 3.11Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 3.4Å; R54-R57 PolarHBondContact O-N 3.49Å; R54-E58 IonicContact NE-OE1 3.57Å; R54-E58 WeakPolarHBondContact O-CG 3.06Å; R54-E58 PolarHBondContact O-N 2.97Å |
| 55 | Q | 79.9 | Confident | 72.1 | Confident | 104 Ų | 104 | 102.4 Ų | 102.4 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | -177.9 | -158.1 | -167.4 | 38.4 | 0 | 0 | 112.5 | G51 S52 E58 R59 | G51-Q55 PolarHBondContact O-N 3.31Å; G51-Q55 VanDerWaalsContact O-N 3.17Å; S52-Q55 PolarHBondContact O-N 3.02Å; Q55-E58 PolarHBondContact O-N 3.43Å; Q55-R59 PolarHBondContact O-N 2.73Å; Q55-R59 VanDerWaalsContact O-N 3.09Å |
| 56 | E | 78 | Confident | 71.9 | Confident | 78 Ų | 78 | 102.2 Ų | 102.2 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.3 | -174.6 | 174.5 | 109.5 | 0 | 0 | 111.7 | P45 L47 S52 D53 R54 E58 R59 A60 | P45-E56 WeakPolarHBondContact CG-OE2 3.33Å; L47-E56 WeakPolarHBondContact CD2-OE2 3.24Å; S52-E56 WeakPolarHBondContact O-CB 3.49Å; S52-E56 PolarHBondContact O-N 3.01Å; D53-E56 PolarHBondContact O-N 3.46Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E56 PolarHBondContact O-N 3.4Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.38Å; E56-R59 PolarHBondContact O-N 3.47Å; E56-A60 PolarHBondContact O-N 3.42Å |
| 57 | R | 77.7 | Confident | 71.5 | Confident | 140 Ų | 140 | 105.5 Ų | 105.5 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 174 | -71.3 | 174.9 | -166.7 | -68.4 | -9.1 | 112.5 | D53 R54 R61 | D53-R57 PolarHBondContact OD2-NH2 2.8Å; D53-R57 IonicContact OD2-NH2 2.73Å; D53-R57 VanDerWaalsContact OD2-NE 3.11Å; D53-R57 PolarHBondContact OD2-NE 3.25Å; D53-R57 IonicContact OD2-NE 3.11Å; D53-R57 IonicContact OD1-NE 2.76Å; D53-R57 VanDerWaalsContact OD2-CZ 3.28Å; D53-R57 IonicContact OD2-CZ 3.28Å; D53-R57 PolarHBondContact OD1-NE 2.56Å; D53-R57 IonicContact OD1-NH2 3.59Å; D53-R57 VanDerWaalsContact CG-NE 3.25Å; D53-R57 WeakPolarHBondContact O-CB 3.2Å; D53-R57 PolarHBondContact O-N 3.16Å; D53-R57 IonicContact OD1-CZ 3.62Å; D53-R57 WeakPolarHBondContact O-CG 3.46Å; R54-R57 PolarHBondContact O-N 3.49Å; R57-R61 VanDerWaalsContact O-N 3.16Å; R57-R61 WeakPolarHBondContact O-CG 3.48Å; R57-R61 VanDerWaalsContact O-CG 3.24Å; R57-R61 PolarHBondContact O-N 3.34Å |
| 58 | E | 79.2 | Confident | 71.5 | Confident | 100 Ų | 100 | 107.5 Ų | 107.5 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -40.7 | 176.5 | -73.5 | 168.3 | 140.5 | 0 | 0 | 111.6 | R54 Q55 E56 R61 G62 | R54-E58 IonicContact NE-OE1 3.57Å; R54-E58 WeakPolarHBondContact O-CG 3.06Å; R54-E58 PolarHBondContact O-N 2.97Å; Q55-E58 PolarHBondContact O-N 3.43Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.38Å; E58-R61 PolarHBondContact O-N 3.17Å; E58-G62 PolarHBondContact O-N 3.43Å |
| 59 | R | 78.4 | Confident | 70.8 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 45% | 0.449 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -49 | 173.9 | -77.2 | -174.7 | -75.9 | -94.7 | -2.6 | 112.7 | Q55 E56 R61 G62 D63 | Q55-R59 PolarHBondContact O-N 2.73Å; Q55-R59 VanDerWaalsContact O-N 3.09Å; E56-R59 PolarHBondContact O-N 3.47Å; R59-R61 PolarHBondContact O-N 3.49Å; R59-G62 PolarHBondContact O-N 2.9Å; R59-G62 VanDerWaalsContact O-N 3.11Å; R59-D63 PolarHBondContact O-N 2.78Å; R59-D63 VanDerWaalsContact O-N 3.09Å |
| 60 | A | 76.7 | Confident | 70.3 | Confident | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -29.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | E56 S64 | E56-A60 PolarHBondContact O-N 3.42Å; A60-S64 PolarHBondContact O-OG 2.96Å; A60-S64 PolarHBondContact O-N 3.47Å |
| 61 | R | 73.4 | Confident | 69.9 | Low | 173 Ų | 173 | 113.4 Ų | 113.4 | 65% | 0.653 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.6 | -47.3 | 173.5 | -73.2 | 170.4 | -176.6 | -168.7 | 0.2 | 112 | R57 E58 R59 D63 S64 E65 | R57-R61 VanDerWaalsContact O-N 3.16Å; R57-R61 WeakPolarHBondContact O-CG 3.48Å; R57-R61 VanDerWaalsContact O-CG 3.24Å; R57-R61 PolarHBondContact O-N 3.34Å; E58-R61 PolarHBondContact O-N 3.17Å; R59-R61 PolarHBondContact O-N 3.49Å; R61-D63 PolarHBondContact O-N 2.81Å; R61-S64 WeakPolarHBondContact O-CB 3.18Å; R61-S64 PolarHBondContact O-N 2.88Å; R61-E65 PolarHBondContact O-N 2.9Å |
| 62 | G | 68.4 | Low | 69.9 | Low | 33 Ų | 33 | 116.6 Ų | 116.6 | 34% | 0.34 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.9 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E58 R59 S64 E65 | E58-G62 PolarHBondContact O-N 3.43Å; R59-G62 PolarHBondContact O-N 2.9Å; R59-G62 VanDerWaalsContact O-N 3.11Å; G62-S64 VanDerWaalsContact C-N 3.33Å; G62-E65 WeakPolarHBondContact CA-OE1 3.37Å; G62-E65 WeakPolarHBondContact O-CG 3.46Å |
| 63 | D | 64.4 | Low | 69.8 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.2 | -19.2 | 176.1 | -65.1 | -28.9 | 0 | 0 | 0 | 113.1 | R59 R61 | R59-D63 PolarHBondContact O-N 2.78Å; R59-D63 VanDerWaalsContact O-N 3.09Å; R61-D63 PolarHBondContact O-N 2.81Å |
| 64 | S | 61 | Low | 69.3 | Low | 83 Ų | 83 | 124.1 Ų | 124.1 | 58% | 0.58 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.2 | -32.6 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | A60 R61 G62 A66 | A60-S64 PolarHBondContact O-OG 2.96Å; A60-S64 PolarHBondContact O-N 3.47Å; R61-S64 WeakPolarHBondContact O-CB 3.18Å; R61-S64 PolarHBondContact O-N 2.88Å; G62-S64 VanDerWaalsContact C-N 3.33Å; S64-A66 VanDerWaalsContact C-N 3.3Å |
| 65 | E | 61.9 | Low | 68.8 | Low | 140 Ų | 140 | 121.2 Ų | 121.2 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.4 | -17.4 | 179 | 56 | -168.1 | 97.4 | 0 | 0 | 113.4 | R61 G62 L67 | R61-E65 PolarHBondContact O-N 2.9Å; G62-E65 WeakPolarHBondContact CA-OE1 3.37Å; G62-E65 WeakPolarHBondContact O-CG 3.46Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.96Å |
| 66 | A | 63.3 | Low | 68.1 | Low | 67 Ų | 67 | 122.3 Ų | 122.3 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -3.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S64 | S64-A66 VanDerWaalsContact C-N 3.3Š|
| 67 | L | 62.9 | Low | 67.4 | Low | 148 Ų | 148 | 125.2 Ų | 125.2 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -3.3 | -176.8 | -62.9 | 177.7 | 0 | 0 | 0 | 114 | E65 | E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.96Å |
| 68 | D | 69.9 | Low | 66.7 | Low | 142 Ų | 142 | 124.1 Ų | 124.1 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -94.5 | 1.9 | -174.5 | -164.7 | 58.8 | 0 | 0 | 0 | 113.6 | | |
| 69 | E | 61.1 | Low | 65.7 | Low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -93.4 | 15.2 | -176.4 | -69.3 | -179.3 | 88.1 | 0 | 0 | 114.8 | | |
| 70 | E | 59.3 | Low | 64.7 | Low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | | | trans | -143.9 | 83.5 | 167 | -158.7 | -162.3 | 122.4 | 0 | 0 | 111.9 | | |
| 71 | S | 53.7 | Low | 63.6 | Low | 188 Ų | 188 | 133.1 Ų | 133.1 | 100% | 1.315 | 73% | 0.727 | S | S | * | * | | | trans | -158 | 0 | 150.6 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | | |