| 1 | M | 51.5 | Low | 62.1 | Low | 248 Ų | 248 | 144.5 Ų | 144.5 | 100% | 1.222 | 84% | 0.84 | S | S | * | * | | | | 0 | 92.8 | 0 | -80.1 | 172.2 | 176.6 | 0 | 0 | 107.5 | | |
| 2 | E | 53.2 | Low | 62.8 | Low | 192 Ų | 192 | 152.8 Ų | 152.8 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | | | trans | -87.1 | 108.8 | 175.3 | -81.1 | 177.5 | 97.2 | 0 | 0 | 109.1 | R4 | E2-R4 PolarHBondContact O-N 3.01Š|
| 3 | A | 58.3 | Low | 64.2 | Low | 94 Ų | 94 | 154.8 Ų | 154.8 | 78% | 0.777 | 85% | 0.846 | S | S | * | * | | | trans | -72 | 93.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | S5 | A3-S5 PolarHBondContact O-N 3.01Š|
| 4 | R | 56.1 | Low | 65.1 | Low | 230 Ų | 230 | 151.7 Ų | 151.7 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | | | trans | -56.1 | 106.8 | 168.7 | -86.1 | 175.3 | 157.8 | -172.3 | -5.9 | 109.2 | E2 Q6 | E2-R4 PolarHBondContact O-N 3.01Å; R4-Q6 PolarHBondContact O-N 3.01Å |
| 5 | S | 68.1 | Low | 66.2 | Low | 121 Ų | 121 | 150.5 Ų | 150.5 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | | | trans | -64.9 | 100.9 | 169.6 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | A3 | A3-S5 PolarHBondContact O-N 3.01Š|
| 6 | Q | 66.9 | Low | 67.1 | Low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | | | trans | -69 | 130.9 | 168.9 | -76.5 | 177.3 | 66.3 | 0 | 0 | 108.6 | R4 T8 | R4-Q6 PolarHBondContact O-N 3.01Å; Q6-T8 PolarHBondContact O-N 2.99Å |
| 7 | P | 62.8 | Low | 67.9 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -68.2 | 104 | 165 | 27.6 | -29.2 | 0 | 0 | 0 | 106.7 | G9 | P7-G9 PolarHBondContact O-N 2.73Š|
| 8 | T | 65.9 | Low | 68.6 | Low | 131 Ų | 131 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -57 | 110.7 | 171.9 | -45.9 | 0 | 0 | 0 | 0 | 107.1 | Q6 A10 | Q6-T8 PolarHBondContact O-N 2.99Å; T8-A10 PolarHBondContact O-N 2.96Å |
| 9 | G | 63 | Low | 69.1 | Low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | | | trans | -69.2 | 56.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P7 | P7-G9 PolarHBondContact O-N 2.73Š|
| 10 | A | 68.8 | Low | 69.4 | Low | 70 Ų | 70 | 153.8 Ų | 153.8 | 58% | 0.579 | 83% | 0.834 | S | S | * | * | | | trans | -62.5 | 128 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | T8 R12 | T8-A10 PolarHBondContact O-N 2.96Å; A10-R12 PolarHBondContact O-N 3.06Å |
| 11 | P | 68.6 | Low | 69.7 | Low | 128 Ų | 128 | 158.1 Ų | 158.1 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | | | trans | -58.7 | 115.4 | 175.5 | 22.4 | -30.2 | 0 | 0 | 0 | 108 | Q13 | P11-Q13 PolarHBondContact O-N 3Š|
| 12 | R | 70.7 | Confident | 71.1 | Confident | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | -66.5 | 109.6 | 175.3 | -78.9 | -177.1 | 169.5 | -161.2 | -3 | 107.5 | A10 | A10-R12 PolarHBondContact O-N 3.06Š|
| 13 | Q | 80.1 | Confident | 72.2 | Confident | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 128.8 | 173.1 | -166.5 | 174.6 | 2.9 | 0 | 0 | 108.7 | P11 T15 | P11-Q13 PolarHBondContact O-N 3Å; Q13-T15 PolarHBondContact O-N 3.43Å |
| 14 | P | 77.6 | Confident | 72.7 | Confident | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.6 | 178.1 | 23.9 | -30.8 | 0 | 0 | 0 | 109.7 | | |
| 15 | T | 82 | Confident | 73.3 | Confident | 134 Ų | 134 | 146.4 Ų | 146.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59 | 127.4 | 178.1 | -49 | 0 | 0 | 0 | 0 | 109.7 | Q13 A17 | Q13-T15 PolarHBondContact O-N 3.43Å; T15-A17 PolarHBondContact O-N 3.45Å |
| 16 | P | 80 | Confident | 73.2 | Confident | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 136.6 | 179 | 22.2 | -30.7 | 0 | 0 | 0 | 110.9 | | |
| 17 | A | 81.6 | Confident | 73.5 | Confident | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 141.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T15 R19 | T15-A17 PolarHBondContact O-N 3.45Å; A17-R19 PolarHBondContact O-N 3.25Å |
| 18 | P | 79.9 | Confident | 73.8 | Confident | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 126.2 | 179.8 | 24.8 | -32.2 | 0 | 0 | 0 | 110.8 | R20 | P18-R20 PolarHBondContact O-N 3.14Š|
| 19 | R | 78.6 | Confident | 73.9 | Confident | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.6 | 172.3 | -85.7 | -174.5 | 166.3 | -145.3 | -1.8 | 109.5 | A17 R21 | A17-R19 PolarHBondContact O-N 3.25Å; R19-R21 PolarHBondContact O-N 3.31Å |
| 20 | R | 75.4 | Confident | 74.4 | Confident | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121 | 172 | -77.9 | -173.9 | 164.2 | -168.9 | -4 | 109.2 | P18 G22 | P18-R20 PolarHBondContact O-N 3.14Å; R20-G22 PolarHBondContact O-N 3.26Å |
| 21 | R | 75.4 | Confident | 74.2 | Confident | 246 Ų | 246 | 144.3 Ų | 144.3 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.1 | 167.9 | -61.7 | -177.4 | -159 | -159.2 | 4.7 | 106.4 | R19 | R19-R21 PolarHBondContact O-N 3.31Š|
| 22 | G | 80.1 | Confident | 73.9 | Confident | 56 Ų | 56 | 147.8 Ų | 147.8 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 167.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R20 R24 | R20-G22 PolarHBondContact O-N 3.26Å; G22-R24 PolarHBondContact O-N 3.24Å; G22-R24 VanDerWaalsContact O-N 3.14Å |
| 23 | P | 75.6 | Confident | 73.3 | Confident | 134 Ų | 134 | 138.7 Ų | 138.7 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.9 | 177.1 | 22.9 | -31.6 | 0 | 0 | 0 | 109.1 | A25 | P23-A25 PolarHBondContact O-N 2.99Å; P23-A25 VanDerWaalsContact O-N 3.08Å |
| 24 | R | 69.2 | Low | 72.3 | Confident | 235 Ų | 235 | 133.8 Ų | 133.8 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -61.5 | 115.5 | 175.2 | -172.7 | 175.5 | -167.9 | -176.2 | 1.3 | 106.7 | G22 T26 | G22-R24 PolarHBondContact O-N 3.24Å; G22-R24 VanDerWaalsContact O-N 3.14Å; R24-T26 PolarHBondContact O-N 3.08Å |
| 25 | A | 68.5 | Low | 71.4 | Confident | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -58.3 | 111.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | P23 A27 | P23-A25 PolarHBondContact O-N 2.99Å; P23-A25 VanDerWaalsContact O-N 3.08Å; A25-A27 PolarHBondContact O-N 3.01Å; A25-A27 VanDerWaalsContact O-N 3.17Å |
| 26 | T | 67.3 | Low | 70.2 | Confident | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | -68.8 | 109.5 | 168.9 | -45.5 | 0 | 0 | 0 | 0 | 105.9 | R24 | R24-T26 PolarHBondContact O-N 3.08Š|
| 27 | A | 71.8 | Confident | 69.2 | Low | 79 Ų | 79 | 133.6 Ų | 133.6 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A25 | A25-A27 PolarHBondContact O-N 3.01Å; A25-A27 VanDerWaalsContact O-N 3.17Å |
| 28 | P | 69.6 | Low | 68.1 | Low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 143.3 | 175.1 | 22.2 | -31.2 | 0 | 0 | 0 | 109.7 | D30 | P28-D30 PolarHBondContact O-N 2.85Š|
| 29 | P | 67.6 | Low | 67 | Low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138 | -177.9 | 24 | -32.8 | 0 | 0 | 0 | 110.4 | | |
| 30 | D | 74.2 | Confident | 66.1 | Low | 99 Ų | 99 | 133.9 Ų | 133.9 | 53% | 0.529 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 128.1 | -178.8 | -176.7 | -84.5 | 0 | 0 | 0 | 110.8 | P28 R32 G33 | P28-D30 PolarHBondContact O-N 2.85Å; D30-R32 PolarHBondContact O-N 3.1Å; D30-R32 PolarHBondContact OD1-N 3.43Å; D30-R32 WeakPolarHBondContact OD1-CG 3.49Å; D30-R32 WeakPolarHBondContact OD1-CA 3.32Å; D30-R32 VanDerWaalsContact O-N 3.13Å; D30-R32 WeakPolarHBondContact OD1-CB 3.31Å; D30-G33 PolarHBondContact O-N 3Å |
| 31 | P | 63.6 | Low | 65.5 | Low | 100 Ų | 100 | 131 Ų | 131 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.7 | -16 | -175.6 | 25 | -33.4 | 0 | 0 | 0 | 113.5 | G33 A34 T35 | P31-G33 PolarHBondContact O-N 3.22Å; P31-A34 WeakPolarHBondContact O-CB 3.4Å; P31-A34 PolarHBondContact O-N 2.94Å; P31-A34 VanDerWaalsContact O-N 3.15Å; P31-T35 PolarHBondContact O-OG1 3.17Å |
| 32 | R | 62.3 | Low | 64.9 | Low | 202 Ų | 202 | 128.5 Ų | 128.5 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -71.3 | -18.6 | 173.9 | -53.4 | 173.8 | 176.3 | -174.1 | -0.5 | 112.2 | D30 | D30-R32 PolarHBondContact O-N 3.1Å; D30-R32 PolarHBondContact OD1-N 3.43Å; D30-R32 WeakPolarHBondContact OD1-CG 3.49Å; D30-R32 WeakPolarHBondContact OD1-CA 3.32Å; D30-R32 VanDerWaalsContact O-N 3.13Å; D30-R32 WeakPolarHBondContact OD1-CB 3.31Å |
| 33 | G | 59.3 | Low | 64 | Low | 52 Ų | 52 | 134.5 Ų | 134.5 | 54% | 0.536 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -70.2 | -31.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D30 P31 | D30-G33 PolarHBondContact O-N 3Å; P31-G33 PolarHBondContact O-N 3.22Å |
| 34 | A | 59 | Low | 63.3 | Low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79 | -19.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P31 R36 P37 | P31-A34 WeakPolarHBondContact O-CB 3.4Å; P31-A34 PolarHBondContact O-N 2.94Å; P31-A34 VanDerWaalsContact O-N 3.15Å; A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 PolarHBondContact O-N 3.41Å; A34-P37 WeakPolarHBondContact O-CD 3.03Å |
| 35 | T | 58.7 | Low | 63.1 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -1.1 | 178.6 | -26.6 | 0 | 0 | 0 | 0 | 113.5 | P31 | P31-T35 PolarHBondContact O-OG1 3.17Š|
| 36 | R | 56 | Low | 62.8 | Low | 181 Ų | 181 | 128 Ų | 128 | 68% | 0.683 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.4 | -8.4 | -176.6 | -63.8 | 179.3 | 95 | 168.4 | 5.5 | 118 | A34 W38 R39 A40 | A34-R36 VanDerWaalsContact C-N 3.29Å; A34-R36 PolarHBondContact O-N 3.41Å; R36-W38 VanDerWaalsContact C-N 3.35Å; R36-W38 PolarHBondContact O-N 2.89Å; R36-R39 PolarHBondContact O-N 3.5Å; R36-A40 PolarHBondContact O-N 3.49Å; R36-A40 VanDerWaalsContact O-N 3.1Å |
| 37 | P | 59.5 | Low | 62.4 | Low | 71 Ų | 71 | 125.4 Ų | 125.4 | 46% | 0.461 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.4 | -39.4 | -177.9 | 24.6 | -29.3 | 0 | 0 | 0 | 111.3 | A34 A40 W41 | A34-P37 WeakPolarHBondContact O-CD 3.03Å; P37-A40 PolarHBondContact O-N 3.4Å; P37-W41 PolarHBondContact O-N 3.02Å; P37-W41 VanDerWaalsContact O-CD1 3.22Å |
| 38 | W | 58.4 | Low | 61.7 | Low | 222 Ų | 222 | 125.3 Ų | 125.3 | 84% | 0.841 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.3 | -36.5 | 179.1 | -75.1 | 89.9 | 0 | 0 | 0 | 113.7 | R36 R42 | R36-W38 VanDerWaalsContact C-N 3.35Å; R36-W38 PolarHBondContact O-N 2.89Å; W38-R42 PolarHBondContact O-N 3.43Å; W38-R42 VanDerWaalsContact O-N 3.1Å; W38-R42 WeakPolarHBondContact O-CB 3.21Å |
| 39 | R | 57 | Low | 61.2 | Low | 183 Ų | 183 | 124 Ų | 124 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 175.3 | -84.9 | -175.2 | 174.3 | -99.6 | 2.4 | 111.4 | R36 W41 R42 W43 | R36-R39 PolarHBondContact O-N 3.5Å; R39-W41 VanDerWaalsContact C-N 3.34Å; R39-W41 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 2.95Å; R39-W43 VanDerWaalsContact O-CD1 3.23Å; R39-W43 PolarHBondContact O-N 3.48Å |
| 40 | A | 60.6 | Low | 60.8 | Low | 57 Ų | 57 | 122.8 Ų | 122.8 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R36 P37 R44 | R36-A40 PolarHBondContact O-N 3.49Å; R36-A40 VanDerWaalsContact O-N 3.1Å; P37-A40 PolarHBondContact O-N 3.4Å; A40-R44 PolarHBondContact O-N 3.05Å |
| 41 | W | 60.9 | Low | 60 | Low | 184 Ų | 184 | 122.5 Ų | 122.5 | 70% | 0.697 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.3 | -40.3 | 175.5 | -84 | 65.4 | 0 | 0 | 0 | 112.8 | P37 R39 W43 R44 C45 | P37-W41 PolarHBondContact O-N 3.02Å; P37-W41 VanDerWaalsContact O-CD1 3.22Å; R39-W41 VanDerWaalsContact C-N 3.34Å; R39-W41 PolarHBondContact O-N 3.49Å; W41-W43 PolarHBondContact O-N 3.07Å; W41-R44 PolarHBondContact O-N 3.32Å; W41-C45 PolarHBondContact O-N 3.22Å |
| 42 | R | 64.2 | Low | 59.6 | Low | 193 Ų | 193 | 129.3 Ų | 129.3 | 73% | 0.728 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.9 | -40.7 | 178.5 | -168.7 | 173.7 | 173.6 | -178.1 | -2.3 | 112.5 | W38 R39 C45 C46 | W38-R42 PolarHBondContact O-N 3.43Å; W38-R42 VanDerWaalsContact O-N 3.1Å; W38-R42 WeakPolarHBondContact O-CB 3.21Å; R39-R42 PolarHBondContact O-N 2.95Å; R42-C45 PolarHBondContact O-N 3.2Å; R42-C46 WeakPolarHBondContact O-CB 3.37Å; R42-C46 PolarHBondContact O-N 3.23Å; R42-C46 PolarHBondContact O-SG 3.28Å |
| 43 | W | 60.8 | Low | 59 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | 174.9 | -80.5 | 98.8 | 0 | 0 | 0 | 112.4 | R39 W41 C45 C46 V47 | R39-W43 VanDerWaalsContact O-CD1 3.23Å; R39-W43 PolarHBondContact O-N 3.48Å; W41-W43 PolarHBondContact O-N 3.07Å; W43-C45 PolarHBondContact O-N 2.96Å; W43-C46 PolarHBondContact O-N 3.1Å; W43-V47 WeakPolarHBondContact O-CG2 3.5Å; W43-V47 PolarHBondContact O-N 3.47Å |
| 44 | R | 61.6 | Low | 59 | Low | 187 Ų | 187 | 137.4 Ų | 137.4 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.4 | -45 | 176.1 | -98.1 | 176.7 | 125.3 | -115.8 | 0.9 | 112.2 | A40 W41 S48 | A40-R44 PolarHBondContact O-N 3.05Å; W41-R44 PolarHBondContact O-N 3.32Å; R44-S48 WeakPolarHBondContact O-CB 3.37Å; R44-S48 PolarHBondContact O-N 3.43Å; R44-S48 PolarHBondContact O-OG 3.41Å; R44-S48 VanDerWaalsContact O-OG 3.07Å |
| 45 | C | 63.3 | Low | 59 | Low | 74 Ų | 74 | 140.6 Ų | 140.6 | 50% | 0.5 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.8 | -41.9 | 178 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | W41 R42 W43 V47 S48 S49 | W41-C45 PolarHBondContact O-N 3.22Å; R42-C45 PolarHBondContact O-N 3.2Å; W43-C45 PolarHBondContact O-N 2.96Å; C45-V47 PolarHBondContact O-N 3.32Å; C45-S48 PolarHBondContact O-N 3.45Å; C45-S49 WeakPolarHBondContact O-CB 3.48Å; C45-S49 PolarHBondContact O-N 3.44Å; C45-S49 PolarHBondContact O-OG 3.02Å |
| 46 | C | 62.1 | Low | 59 | Low | 66 Ų | 66 | 142.5 Ų | 142.5 | 45% | 0.446 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 177.3 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | R42 W43 S49 C50 | R42-C46 WeakPolarHBondContact O-CB 3.37Å; R42-C46 PolarHBondContact O-N 3.23Å; R42-C46 PolarHBondContact O-SG 3.28Å; W43-C46 PolarHBondContact O-N 3.1Å; C46-S49 PolarHBondContact O-N 3.15Å; C46-C50 VanDerWaalsContact O-CB 3.31Å; C46-C50 WeakPolarHBondContact O-CB 2.97Å; C46-C50 PolarHBondContact O-N 3.36Å; C46-C50 PolarHBondContact O-SG 3.15Å |
| 47 | V | 59.9 | Low | 59.2 | Low | 84 Ų | 84 | 140.2 Ų | 140.2 | 51% | 0.509 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.3 | -45 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | W43 C45 S49 C50 S51 | W43-V47 WeakPolarHBondContact O-CG2 3.5Å; W43-V47 PolarHBondContact O-N 3.47Å; C45-V47 PolarHBondContact O-N 3.32Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.38Å; V47-C50 PolarHBondContact O-N 3.13Å; V47-S51 PolarHBondContact O-N 3.4Å; V47-S51 PolarHBondContact O-OG 3.1Å |
| 48 | S | 58 | Low | 59.2 | Low | 77 Ų | 77 | 144.6 Ų | 144.6 | 54% | 0.538 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -62.1 | -39.1 | 177.7 | -67 | 0 | 0 | 0 | 0 | 113 | R44 C45 | R44-S48 WeakPolarHBondContact O-CB 3.37Å; R44-S48 PolarHBondContact O-N 3.43Å; R44-S48 PolarHBondContact O-OG 3.41Å; R44-S48 VanDerWaalsContact O-OG 3.07Å; C45-S48 PolarHBondContact O-N 3.45Å |
| 49 | S | 58 | Low | 59.2 | Low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.1 | -29 | 175.9 | -64 | 0 | 0 | 0 | 0 | 113.2 | C45 C46 V47 | C45-S49 WeakPolarHBondContact O-CB 3.48Å; C45-S49 PolarHBondContact O-N 3.44Å; C45-S49 PolarHBondContact O-OG 3.02Å; C46-S49 PolarHBondContact O-N 3.15Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.38Å |
| 50 | C | 59 | Low | 59.4 | Low | 97 Ų | 97 | 136.3 Ų | 136.3 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.2 | -27.9 | 174.2 | -72.3 | 0 | 0 | 0 | 0 | 113.1 | C46 V47 | C46-C50 VanDerWaalsContact O-CB 3.31Å; C46-C50 WeakPolarHBondContact O-CB 2.97Å; C46-C50 PolarHBondContact O-N 3.36Å; C46-C50 PolarHBondContact O-SG 3.15Å; V47-C50 PolarHBondContact O-N 3.13Å |
| 51 | S | 57.2 | Low | 59.3 | Low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.4 | 179.3 | -58.6 | 0 | 0 | 0 | 0 | 114.4 | V47 | V47-S51 PolarHBondContact O-N 3.4Å; V47-S51 PolarHBondContact O-OG 3.1Å |
| 52 | W | 56.1 | Low | 59.1 | Low | 244 Ų | 244 | 138.9 Ų | 138.9 | 92% | 0.924 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 4.3 | 178.2 | -105.6 | 0.8 | 0 | 0 | 0 | 113.8 | | |
| 53 | R | 49.4 | Very low | 58.7 | Low | 285 Ų | 285 | 134 Ų | 134 | 100% | 1.075 | 66% | 0.663 | S | S | * | * | | | trans | -111.4 | 0 | -177 | -159.3 | 171.9 | 175.4 | -83 | -0.2 | 111.9 | | |