| 1 | M | 50.1 | Low | 64 | Low | 240 Ų | 240 | 149.5 Ų | 149.5 | 100% | 1.182 | 80% | 0.796 | S | S | * | * | | | | 0 | 114.1 | 0 | -71 | -123.8 | -177 | 0 | 0 | 107.4 | | |
| 2 | K | 62.9 | Low | 63.5 | Low | 210 Ų | 210 | 150.3 Ų | 150.3 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -113.4 | 107.7 | -178.2 | -155.2 | 177.2 | -173.7 | -177.1 | 0 | 106.9 | | |
| 3 | N | 69.6 | Low | 63.2 | Low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 128.9 | -178.4 | -64.1 | -12.4 | 0 | 0 | 0 | 108.5 | E5 | N3-E5 PolarHBondContact O-N 3.22Š|
| 4 | L | 75.2 | Confident | 63.1 | Low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -80.1 | 96.9 | 177.1 | -176.2 | 66.3 | 0 | 0 | 0 | 108.1 | L6 | L4-L6 PolarHBondContact O-N 3.18Š|
| 5 | E | 70.7 | Confident | 63.3 | Low | 166 Ų | 166 | 149.4 Ų | 149.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -78.6 | 114.3 | 178.9 | -153.4 | 164.4 | -153.9 | 0 | 0 | 109.1 | N3 N7 | N3-E5 PolarHBondContact O-N 3.22Å; E5-N7 PolarHBondContact O-N 3.2Å |
| 6 | L | 71.5 | Confident | 63.6 | Low | 145 Ų | 145 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -83.2 | 89.4 | 179.9 | -65.6 | 174.6 | 0 | 0 | 0 | 108.8 | L4 T8 | L4-L6 PolarHBondContact O-N 3.18Å; L6-T8 PolarHBondContact O-N 2.69Å |
| 7 | N | 65.2 | Low | 64 | Low | 139 Ų | 139 | 146.1 Ų | 146.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -69.8 | 101.5 | 173.7 | -66.5 | -16.7 | 0 | 0 | 0 | 109 | E5 S9 | E5-N7 PolarHBondContact O-N 3.2Å; N7-S9 PolarHBondContact O-N 2.78Å; N7-S9 VanDerWaalsContact O-N 3.1Å |
| 8 | T | 60.8 | Low | 64.4 | Low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -71.8 | 100.9 | 165.8 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | L6 S10 | L6-T8 PolarHBondContact O-N 2.69Å; T8-S10 PolarHBondContact O-N 3.44Å |
| 9 | S | 62.3 | Low | 64.8 | Low | 85 Ų | 85 | 146.3 Ų | 146.3 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | | | trans | -56.2 | 111.2 | 165.8 | -172.1 | 0 | 0 | 0 | 0 | 107 | N7 D11 | N7-S9 PolarHBondContact O-N 2.78Å; N7-S9 VanDerWaalsContact O-N 3.1Å; S9-D11 WeakPolarHBondContact CB-OD2 3.38Å; S9-D11 PolarHBondContact O-N 3.43Å; S9-D11 PolarHBondContact OG-OD1 2.93Å; S9-D11 PolarHBondContact OG-OD2 3.21Å |
| 10 | S | 58.3 | Low | 65.1 | Low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -73 | 63.5 | 164.8 | 59.9 | 0 | 0 | 0 | 0 | 107.4 | T8 I12 | T8-S10 PolarHBondContact O-N 3.44Å; S10-I12 PolarHBondContact O-N 3.03Å |
| 11 | D | 58.1 | Low | 65.5 | Low | 118 Ų | 118 | 148 Ų | 148 | 63% | 0.631 | 78% | 0.783 | S | S | * | * | | | trans | -63.7 | 99.8 | 165.9 | -80.6 | -49.2 | 0 | 0 | 0 | 105.4 | S9 Q13 | S9-D11 WeakPolarHBondContact CB-OD2 3.38Å; S9-D11 PolarHBondContact O-N 3.43Å; S9-D11 PolarHBondContact OG-OD1 2.93Å; S9-D11 PolarHBondContact OG-OD2 3.21Å; D11-Q13 PolarHBondContact O-N 3.1Å |
| 12 | I | 57.2 | Low | 66.4 | Low | 158 Ų | 158 | 143.9 Ų | 143.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -28.2 | 98 | 173.6 | -62 | 156.9 | 0 | 0 | 0 | 107.8 | S10 P14 | S10-I12 PolarHBondContact O-N 3.03Å; I12-P14 WeakPolarHBondContact O-CD 3.13Å; I12-P14 VanDerWaalsContact O-N 3.08Å |
| 13 | Q | 60.1 | Low | 66.6 | Low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -62.7 | 111.9 | 171.6 | -67.4 | -70.6 | -51.7 | 0 | 0 | 104.9 | D11 N15 | D11-Q13 PolarHBondContact O-N 3.1Å; Q13-N15 PolarHBondContact O-N 3Å; Q13-N15 VanDerWaalsContact O-N 3.12Å |
| 14 | P | 61.4 | Low | 66.1 | Low | 99 Ų | 99 | 141 Ų | 141 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -60.7 | 125.6 | 177.2 | 24.3 | -30.8 | 0 | 0 | 0 | 107.3 | I12 E16 | I12-P14 WeakPolarHBondContact O-CD 3.13Å; I12-P14 VanDerWaalsContact O-N 3.08Å; P14-E16 PolarHBondContact O-N 2.67Å |
| 15 | N | 66 | Low | 65.5 | Low | 171 Ų | 171 | 136.4 Ų | 136.4 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -70.5 | 16.1 | 176.5 | -160.7 | 26.1 | 0 | 0 | 0 | 112.2 | Q13 | Q13-N15 PolarHBondContact O-N 3Å; Q13-N15 VanDerWaalsContact O-N 3.12Å |
| 16 | E | 67.8 | Low | 65.2 | Low | 131 Ų | 131 | 131.7 Ų | 131.7 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -103.2 | 131.3 | 179.5 | -70 | -170.1 | 176.2 | 0 | 0 | 109.6 | P14 | P14-E16 PolarHBondContact O-N 2.67Š|
| 17 | P | 71.1 | Confident | 65.1 | Low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.5 | 175.7 | 23.4 | -31.4 | 0 | 0 | 0 | 110.2 | K19 | P17-K19 PolarHBondContact O-N 3.42Å; P17-K19 VanDerWaalsContact O-N 3.14Å |
| 18 | P | 70.5 | Confident | 65.4 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.3 | -175.5 | 19.9 | -31.3 | 0 | 0 | 0 | 110.6 | K20 | P18-K20 PolarHBondContact O-N 2.83Å; P18-K20 VanDerWaalsContact O-N 3.13Å |
| 19 | K | 72.6 | Confident | 65.9 | Low | 174 Ų | 174 | 136.4 Ų | 136.4 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 117.2 | 177.9 | -69.2 | 177.1 | -177 | 170.6 | 0 | 108.4 | P17 V21 | P17-K19 PolarHBondContact O-N 3.42Å; P17-K19 VanDerWaalsContact O-N 3.14Å; K19-V21 PolarHBondContact O-N 2.72Å |
| 20 | K | 71.7 | Confident | 65.9 | Low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | | | trans | -69 | 96.1 | 178 | -64.4 | -177.5 | -176.7 | 180 | 0 | 108.9 | P18 L22 | P18-K20 PolarHBondContact O-N 2.83Å; P18-K20 VanDerWaalsContact O-N 3.13Å; K20-L22 PolarHBondContact O-N 2.78Å |
| 21 | V | 72.7 | Confident | 66.3 | Low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -76.7 | 114.8 | 169.3 | -179 | 0 | 0 | 0 | 0 | 107.3 | K19 L23 | K19-V21 PolarHBondContact O-N 2.72Å; V21-L23 PolarHBondContact O-N 3.45Å |
| 22 | L | 69.4 | Low | 66.6 | Low | 155 Ų | 155 | 145.1 Ų | 145.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 118.7 | 169.3 | -81.3 | 111.4 | 0 | 0 | 0 | 107.9 | K20 S24 | K20-L22 PolarHBondContact O-N 2.78Å; L22-S24 PolarHBondContact O-N 2.74Å |
| 23 | L | 66.9 | Low | 66.8 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 82 | 167.8 | -67 | 163.4 | 0 | 0 | 0 | 108 | V21 G25 | V21-L23 PolarHBondContact O-N 3.45Å; L23-G25 PolarHBondContact O-N 2.85Å |
| 24 | S | 58.9 | Low | 66.6 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 69.2 | 177.2 | 61.8 | 0 | 0 | 0 | 0 | 109.4 | L22 | L22-S24 PolarHBondContact O-N 2.74Š|
| 25 | G | 61.9 | Low | 66.1 | Low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.1 | 14.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L23 S27 | L23-G25 PolarHBondContact O-N 2.85Å; G25-S27 PolarHBondContact O-N 2.83Å |
| 26 | G | 64.7 | Low | 65.2 | Low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -60.4 | 111.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R28 | G26-R28 PolarHBondContact O-N 3.03Š|
| 27 | S | 69.9 | Low | 64.3 | Low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -55 | 114.3 | 174.3 | -59.2 | 0 | 0 | 0 | 0 | 109.2 | G25 L29 | G25-S27 PolarHBondContact O-N 2.83Å; S27-L29 PolarHBondContact O-N 3.34Å; S27-L29 VanDerWaalsContact O-N 3.16Å |
| 28 | R | 70.2 | Confident | 63.2 | Low | 231 Ų | 231 | 146.3 Ų | 146.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -65.9 | 116.2 | 172.1 | -66.7 | 174.6 | 67.8 | 171.5 | 0.8 | 106.8 | G26 T30 | G26-R28 PolarHBondContact O-N 3.03Å; R28-T30 PolarHBondContact O-N 2.82Å |
| 29 | L | 71.3 | Confident | 62.1 | Low | 171 Ų | 171 | 150.6 Ų | 150.6 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | -58.7 | 113.3 | 170 | -62.4 | 176.8 | 0 | 0 | 0 | 107.8 | S27 | S27-L29 PolarHBondContact O-N 3.34Å; S27-L29 VanDerWaalsContact O-N 3.16Å |
| 30 | T | 64.4 | Low | 60.8 | Low | 125 Ų | 125 | 149.8 Ų | 149.8 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | | | trans | -76.6 | 131.5 | 171 | 47.1 | 0 | 0 | 0 | 0 | 108.1 | R28 I32 | R28-T30 PolarHBondContact O-N 2.82Å; T30-I32 PolarHBondContact O-N 2.83Å |
| 31 | K | 65.1 | Low | 59.7 | Low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 118 | 172.5 | -67.6 | 177.4 | -178.9 | 179 | 0 | 107 | S33 | K31-S33 PolarHBondContact O-N 3.35Š|
| 32 | I | 64.7 | Low | 58.6 | Low | 164 Ų | 164 | 146 Ų | 146 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -70.4 | 107.9 | 164.5 | 56.1 | 176.1 | 0 | 0 | 0 | 106.8 | T30 | T30-I32 PolarHBondContact O-N 2.83Š|
| 33 | S | 60.9 | Low | 57.7 | Low | 86 Ų | 86 | 144 Ų | 144 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | | | trans | -75.4 | 136.9 | 166.6 | 48.2 | 0 | 0 | 0 | 0 | 108.1 | K31 E35 | K31-S33 PolarHBondContact O-N 3.35Å; S33-E35 PolarHBondContact O-N 2.77Å |
| 34 | S | 55.8 | Low | 56.8 | Low | 130 Ų | 130 | 145.1 Ų | 145.1 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -76.4 | 68.3 | 171.7 | 164.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 35 | E | 52.7 | Low | 56.1 | Low | 154 Ų | 154 | 145.8 Ų | 145.8 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -118.4 | 113.8 | 173.9 | -73.5 | 178.7 | -152.5 | 0 | 0 | 109 | S33 S37 | S33-E35 PolarHBondContact O-N 2.77Å; E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.35Å |
| 36 | K | 46.7 | Very low | 55.3 | Low | 221 Ų | 221 | 147.8 Ų | 147.8 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | | | trans | -64 | 88.6 | 177 | -167.9 | 175.7 | -172.7 | -176.6 | 0 | 107.3 | | |
| 37 | S | 47.7 | Very low | 54.2 | Low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -123.6 | 131.2 | 173.5 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | E35 | E35-S37 VanDerWaalsContact C-N 3.31Å; E35-S37 PolarHBondContact O-N 3.35Å |
| 38 | I | 49.1 | Very low | 53.1 | Low | 166 Ų | 166 | 152.4 Ų | 152.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -57.7 | 142.1 | -179.2 | -67.1 | 152.6 | 0 | 0 | 0 | 109.9 | | |
| 39 | Y | 47.9 | Very low | 51.9 | Low | 212 Ų | 212 | 148.5 Ų | 148.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | -26.6 | 157.3 | 166 | -132.9 | -108.5 | 0 | 0 | 0 | 116.1 | | |
| 40 | E | 44.4 | Very low | 50.6 | Low | 158 Ų | 158 | 143.6 Ų | 143.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | trans | 93.6 | 128.1 | 166.9 | -57.2 | -179.2 | -173 | 0 | 0 | 116.1 | | |
| 41 | N | 47.8 | Very low | 49.5 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | cis | -143.9 | 145.6 | 5.1 | -97.1 | -47.5 | 0 | 0 | 0 | 108.9 | S43 | N41-S43 PolarHBondContact O-N 2.85Š|
| 42 | P | 51 | Low | 48.5 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -67.6 | 108.2 | 178.1 | 27.3 | -31.2 | 0 | 0 | 0 | 109.5 | Q44 | P42-Q44 PolarHBondContact O-N 2.9Š|
| 43 | S | 50.4 | Low | 47.6 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -61.3 | 122.1 | 171.3 | 122.9 | 0 | 0 | 0 | 0 | 108.2 | N41 N45 | N41-S43 PolarHBondContact O-N 2.85Å; S43-N45 PolarHBondContact O-N 2.84Å |
| 44 | Q | 48.1 | Very low | 47 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | | | trans | -60.8 | 96.7 | -179 | -68.8 | 169.1 | -26.9 | 0 | 0 | 109.4 | P42 | P42-Q44 PolarHBondContact O-N 2.9Š|
| 45 | N | 43.6 | Very low | 46.8 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -108.4 | 111.3 | 156.7 | -165.6 | -19 | 0 | 0 | 0 | 108.5 | S43 | S43-N45 PolarHBondContact O-N 2.84Š|
| 46 | T | 44.1 | Very low | 46.5 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | | | trans | -54.9 | 137.9 | -174.4 | 45 | 0 | 0 | 0 | 0 | 114 | | |
| 47 | N | 42.4 | Very low | 46.6 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | | | trans | 71 | 39.2 | 153.6 | -57.1 | -8.5 | 0 | 0 | 0 | 118.7 | | |
| 48 | V | 47 | Very low | 46.7 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | | | trans | -91.5 | 98.2 | 153 | -164.3 | 0 | 0 | 0 | 0 | 107.4 | S50 | V48-S50 PolarHBondContact O-N 3.12Š|
| 49 | I | 44.2 | Very low | 47 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | trans | -68.6 | 66.4 | 156.9 | -54.7 | 170.7 | 0 | 0 | 0 | 105.9 | N51 | I49-N51 VanDerWaalsContact C-N 3.26Å; I49-N51 PolarHBondContact O-N 2.91Å |
| 50 | S | 44.5 | Very low | 47.1 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 47% | 0.469 | 72% | 0.716 | S | S | . | * | | | trans | -80.1 | 95.2 | 161.2 | -179.8 | 0 | 0 | 0 | 0 | 102.6 | V48 N52 | V48-S50 PolarHBondContact O-N 3.12Å; S50-N52 PolarHBondContact O-N 3.09Å; S50-N52 PolarHBondContact O-OD1 3.16Å; S50-N52 PolarHBondContact OG-OD1 3.37Å |
| 51 | N | 40.8 | Very low | 47.5 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | | | trans | -55.6 | 89.7 | 159.4 | -66.9 | -33.4 | 0 | 0 | 0 | 105.1 | I49 N53 | I49-N51 VanDerWaalsContact C-N 3.26Å; I49-N51 PolarHBondContact O-N 2.91Å; N51-N53 PolarHBondContact O-N 3.14Å |
| 52 | N | 44 | Very low | 47.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 57% | 0.572 | 73% | 0.727 | S | S | * | * | | | trans | -68.2 | 68 | 165.1 | -65.8 | -16.7 | 0 | 0 | 0 | 105.1 | S50 H54 | S50-N52 PolarHBondContact O-N 3.09Å; S50-N52 PolarHBondContact O-OD1 3.16Å; S50-N52 PolarHBondContact OG-OD1 3.37Å; N52-H54 PolarHBondContact O-CD2 2.95Å; N52-H54 PolarHBondContact O-N 3.13Å |
| 53 | N | 46.2 | Very low | 47.8 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | -63.9 | 74.7 | 149.6 | -66.9 | -9.2 | 0 | 0 | 0 | 103.4 | N51 L55 | N51-N53 PolarHBondContact O-N 3.14Å; N53-L55 VanDerWaalsContact C-N 3.29Å; N53-L55 PolarHBondContact O-N 3.4Å |
| 54 | H | 49.7 | Very low | 48 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 65% | 0.648 | 72% | 0.723 | S | S | * | * | | | trans | -45.7 | 112.6 | 154.9 | -75.2 | -81.8 | 0 | 0 | 0 | 103 | N52 L56 | N52-H54 PolarHBondContact O-CD2 2.95Å; N52-H54 PolarHBondContact O-N 3.13Å; H54-L56 PolarHBondContact O-N 2.78Å |
| 55 | L | 50.6 | Low | 48.5 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | | | trans | -58.5 | 88.3 | 165.7 | -175 | 72.3 | 0 | 0 | 0 | 103.7 | N53 I57 | N53-L55 VanDerWaalsContact C-N 3.29Å; N53-L55 PolarHBondContact O-N 3.4Å; L55-I57 PolarHBondContact O-N 2.85Å |
| 56 | L | 46.8 | Very low | 49.2 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | | | trans | -64.5 | 96.8 | 171.3 | -75.9 | 160.9 | 0 | 0 | 0 | 102.4 | H54 S58 | H54-L56 PolarHBondContact O-N 2.78Å; L56-S58 PolarHBondContact O-N 3.24Å |
| 57 | I | 48.1 | Very low | 49.7 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | | | trans | -63.6 | 86.5 | 165.5 | -59.2 | 165 | 0 | 0 | 0 | 103.2 | L55 D59 | L55-I57 PolarHBondContact O-N 2.85Å; I57-D59 PolarHBondContact O-N 3.06Å |
| 58 | S | 49.4 | Very low | 50.5 | Low | 61 Ų | 61 | 126 Ų | 126 | 43% | 0.427 | 67% | 0.671 | S | S | . | * | | | trans | -65.9 | 123.1 | 171.1 | 48.7 | 0 | 0 | 0 | 0 | 106.3 | L56 N60 F61 | L56-S58 PolarHBondContact O-N 3.24Å; S58-N60 PolarHBondContact O-N 3.02Å; S58-F61 PolarHBondContact O-N 2.81Å |
| 59 | D | 55.5 | Low | 51.2 | Low | 158 Ų | 158 | 124.7 Ų | 124.7 | 85% | 0.845 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -0.8 | -178.9 | -67.4 | -39 | 0 | 0 | 0 | 114.1 | I57 | I57-D59 PolarHBondContact O-N 3.06Š|
| 60 | N | 51.4 | Low | 51.8 | Low | 144 Ų | 144 | 121.6 Ų | 121.6 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 19.2 | -179.2 | -60.9 | -15.1 | 0 | 0 | 0 | 113.7 | S58 E62 | S58-N60 PolarHBondContact O-N 3.02Å; N60-E62 PolarHBondContact O-N 2.75Å |
| 61 | F | 51.5 | Low | 52.5 | Low | 177 Ų | 177 | 125.2 Ų | 125.2 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | | | trans | -70.1 | 87.4 | 169.6 | -107.8 | -85.9 | 0 | 0 | 0 | 109.7 | S58 G63 | S58-F61 PolarHBondContact O-N 2.81Å; F61-G63 PolarHBondContact O-N 3.15Å; F61-G63 VanDerWaalsContact O-N 3.16Å |
| 62 | E | 53.2 | Low | 53.5 | Low | 189 Ų | 189 | 127 Ų | 127 | 88% | 0.883 | 66% | 0.655 | S | S | * | * | | | trans | -52.9 | 115.6 | 163.1 | -81.6 | -173.1 | 144.4 | 0 | 0 | 109.4 | N60 E64 | N60-E62 PolarHBondContact O-N 2.75Å; E62-E64 PolarHBondContact O-N 2.97Å |
| 63 | G | 53.5 | Low | 54.3 | Low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 96 | -14.8 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | F61 S65 | F61-G63 PolarHBondContact O-N 3.15Å; F61-G63 VanDerWaalsContact O-N 3.16Å; G63-S65 VanDerWaalsContact C-N 3.31Å; G63-S65 PolarHBondContact O-N 3.18Å; G63-S65 VanDerWaalsContact O-N 3.09Å |
| 64 | E | 53.9 | Low | 54.7 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | | | trans | -87.2 | 80.6 | 165.1 | -74.8 | -151.5 | 176 | 0 | 0 | 110.1 | E62 I66 | E62-E64 PolarHBondContact O-N 2.97Å; E64-I66 PolarHBondContact O-N 3.35Å |
| 65 | S | 58.3 | Low | 55.1 | Low | 55 Ų | 55 | 126.8 Ų | 126.8 | 39% | 0.385 | 65% | 0.654 | S | S | . | * | | | trans | -42.5 | 136 | -179.5 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | G63 K67 N68 | G63-S65 VanDerWaalsContact C-N 3.31Å; G63-S65 PolarHBondContact O-N 3.18Å; G63-S65 VanDerWaalsContact O-N 3.09Å; S65-K67 CarbonylContact O-C 3.59Å; S65-K67 PolarHBondContact O-N 2.72Å; S65-N68 WeakPolarHBondContact O-CB 3.34Å; S65-N68 PolarHBondContact O-N 2.83Å |
| 66 | I | 59.1 | Low | 55.7 | Low | 132 Ų | 132 | 131 Ų | 131 | 68% | 0.677 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -47.6 | -24.6 | 174.1 | -68.4 | 161.3 | 0 | 0 | 0 | 112 | E64 N68 L69 V70 | E64-I66 PolarHBondContact O-N 3.35Å; I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 PolarHBondContact O-N 3.11Å; I66-L69 WeakPolarHBondContact O-CB 3.5Å; I66-L69 PolarHBondContact O-N 3.24Å; I66-V70 HydrophobicContact CG2-CG2 4.08Å; I66-V70 WeakPolarHBondContact O-CG2 3.37Å; I66-V70 PolarHBondContact O-N 2.88Å |
| 67 | K | 54.6 | Low | 56.3 | Low | 167 Ų | 167 | 131.2 Ų | 131.2 | 73% | 0.726 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -57.1 | -36 | 171 | -61.7 | -179.5 | 180 | 178 | 0 | 113.4 | S65 R71 | S65-K67 CarbonylContact O-C 3.59Å; S65-K67 PolarHBondContact O-N 2.72Å; K67-R71 VanDerWaalsContact O-CB 3.28Å; K67-R71 WeakPolarHBondContact O-CB 3.28Å; K67-R71 PolarHBondContact O-N 2.92Å |
| 68 | N | 59.4 | Low | 56.9 | Low | 44 Ų | 44 | 129.6 Ų | 129.6 | 24% | 0.235 | 66% | 0.656 | C | S | . | * | H | α-helix | trans | -68.7 | -44.7 | 173.5 | -70.7 | -11.2 | 0 | 0 | 0 | 111.4 | S65 I66 R71 Q72 | S65-N68 WeakPolarHBondContact O-CB 3.34Å; S65-N68 PolarHBondContact O-N 2.83Å; I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 PolarHBondContact O-N 3.11Å; N68-R71 WeakPolarHBondContact O-CB 3.48Å; N68-R71 PolarHBondContact O-N 3.11Å; N68-R71 VanDerWaalsContact O-N 3.15Å; N68-R71 VanDerWaalsContact OD1-CZ 3.22Å; N68-R71 PolarHBondContact OD1-NH1 3.04Å; N68-R71 PolarHBondContact OD1-NH2 3.47Å; N68-Q72 PolarHBondContact O-N 3.16Å |
| 69 | L | 59.8 | Low | 57.6 | Low | 96 Ų | 96 | 135.5 Ų | 135.5 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -59.9 | -48.8 | 176.6 | -174.8 | 64.4 | 0 | 0 | 0 | 111.1 | I66 R71 Q72 H73 | I66-L69 WeakPolarHBondContact O-CB 3.5Å; I66-L69 PolarHBondContact O-N 3.24Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.91Å; L69-Q72 PolarHBondContact O-N 3.33Å; L69-H73 PolarHBondContact O-CD2 2.78Å; L69-H73 PolarHBondContact O-N 3.2Å; L69-H73 VanDerWaalsContact O-N 3.11Å |
| 70 | V | 58.7 | Low | 57.8 | Low | 84 Ų | 84 | 137.7 Ų | 137.7 | 51% | 0.509 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.6 | -34.9 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | I66 H73 K74 | I66-V70 HydrophobicContact CG2-CG2 4.08Å; I66-V70 WeakPolarHBondContact O-CG2 3.37Å; I66-V70 PolarHBondContact O-N 2.88Å; V70-H73 PolarHBondContact O-N 3.03Å; V70-K74 PolarHBondContact O-N 3.25Å |
| 71 | R | 58 | Low | 58.3 | Low | 143 Ų | 143 | 136.4 Ų | 136.4 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -68.4 | -38.5 | 177.3 | -169.6 | 175.8 | 61.9 | -104.1 | -0.9 | 112.1 | K67 N68 L69 H73 K74 | K67-R71 VanDerWaalsContact O-CB 3.28Å; K67-R71 WeakPolarHBondContact O-CB 3.28Å; K67-R71 PolarHBondContact O-N 2.92Å; N68-R71 WeakPolarHBondContact O-CB 3.48Å; N68-R71 PolarHBondContact O-N 3.11Å; N68-R71 VanDerWaalsContact O-N 3.15Å; N68-R71 VanDerWaalsContact OD1-CZ 3.22Å; N68-R71 PolarHBondContact OD1-NH1 3.04Å; N68-R71 PolarHBondContact OD1-NH2 3.47Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.91Å; R71-H73 VanDerWaalsContact C-N 3.27Å; R71-H73 PolarHBondContact O-N 3.22Å; R71-K74 PolarHBondContact O-N 3.25Å |
| 72 | Q | 62 | Low | 58.7 | Low | 157 Ų | 157 | 132.9 Ų | 132.9 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.6 | -30.7 | 173.8 | -69.1 | -167.9 | -3.4 | 0 | 0 | 112.1 | N68 L69 K74 | N68-Q72 PolarHBondContact O-N 3.16Å; L69-Q72 PolarHBondContact O-N 3.33Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.42Å |
| 73 | H | 60.4 | Low | 58.8 | Low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 2.6 | 175 | -70.9 | -61.2 | 0 | 0 | 0 | 115.2 | L69 V70 R71 S75 | L69-H73 PolarHBondContact O-CD2 2.78Å; L69-H73 PolarHBondContact O-N 3.2Å; L69-H73 VanDerWaalsContact O-N 3.11Å; V70-H73 PolarHBondContact O-N 3.03Å; R71-H73 VanDerWaalsContact C-N 3.27Å; R71-H73 PolarHBondContact O-N 3.22Å; H73-S75 PolarHBondContact O-N 3.3Å |
| 74 | K | 56 | Low | 58.8 | Low | 161 Ų | 161 | 132.8 Ų | 132.8 | 70% | 0.7 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -67.7 | 90.7 | 166.2 | -69.9 | -166.1 | 178.2 | -168.9 | 0 | 108.5 | V70 R71 Q72 R76 | V70-K74 PolarHBondContact O-N 3.25Å; R71-K74 PolarHBondContact O-N 3.25Å; Q72-K74 VanDerWaalsContact C-N 3.29Å; Q72-K74 PolarHBondContact O-N 3.42Å; K74-R76 PolarHBondContact O-N 3.3Å |
| 75 | S | 57.8 | Low | 58.6 | Low | 87 Ų | 87 | 130 Ų | 130 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | | | trans | -43.1 | 125.4 | 175.5 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | H73 H77 | H73-S75 PolarHBondContact O-N 3.3Å; S75-H77 PolarHBondContact O-N 3.18Å; S75-H77 PolarHBondContact OG-N 3.43Å |
| 76 | R | 63.1 | Low | 58.2 | Low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -59 | -6.4 | 176.8 | -63.8 | 175.6 | 81.2 | 158.2 | 3 | 112.9 | K74 S78 | K74-R76 PolarHBondContact O-N 3.3Å; R76-S78 VanDerWaalsContact C-N 3.25Å; R76-S78 PolarHBondContact O-N 2.89Å |
| 77 | H | 58.9 | Low | 57.9 | Low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.718 | 66% | 0.657 | S | S | * | * | | | trans | -86.1 | 55 | 174 | -74.9 | 59.2 | 0 | 0 | 0 | 111.9 | S75 Y79 | S75-H77 PolarHBondContact O-N 3.18Å; S75-H77 PolarHBondContact OG-N 3.43Å; H77-Y79 VanDerWaalsContact C-N 3.3Å; H77-Y79 PolarHBondContact O-N 3.11Å; H77-Y79 VanDerWaalsContact O-N 3.11Å |
| 78 | S | 59.7 | Low | 57.7 | Low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | | | trans | -75.3 | 91.7 | 155.4 | 60.6 | 0 | 0 | 0 | 0 | 107.2 | R76 K80 | R76-S78 VanDerWaalsContact C-N 3.25Å; R76-S78 PolarHBondContact O-N 2.89Å; S78-K80 PolarHBondContact O-N 3.24Å |
| 79 | Y | 64.2 | Low | 57.6 | Low | 185 Ų | 185 | 136.8 Ų | 136.8 | 73% | 0.725 | 68% | 0.683 | S | S | * | * | | | trans | -66.6 | 119.2 | 167.8 | 55.6 | -86.7 | 0 | 0 | 0 | 107.6 | H77 I81 | H77-Y79 VanDerWaalsContact C-N 3.3Å; H77-Y79 PolarHBondContact O-N 3.11Å; H77-Y79 VanDerWaalsContact O-N 3.11Å; Y79-I81 HydrophobicContact CD2-CD1 4.5Å; Y79-I81 HydrophobicContact CD2-CG1 3.69Å; Y79-I81 HydrophobicContact CE2-CD1 3.83Å; Y79-I81 HydrophobicContact CE2-CG1 3.51Å; Y79-I81 PolarHBondContact O-N 2.93Å |
| 80 | K | 59.7 | Low | 57.6 | Low | 204 Ų | 204 | 141.3 Ų | 141.3 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | | | trans | -65.7 | 108.4 | 169.2 | -74.1 | -178.3 | 179.5 | 179.3 | 0 | 107 | S78 N82 | S78-K80 PolarHBondContact O-N 3.24Å; K80-N82 VanDerWaalsContact C-N 3.29Å; K80-N82 PolarHBondContact O-N 3.06Å |
| 81 | I | 62 | Low | 57.9 | Low | 117 Ų | 117 | 149.1 Ų | 149.1 | 60% | 0.6 | 72% | 0.718 | S | S | * | * | | | trans | -67.7 | 97.7 | 166 | -53.9 | 176.3 | 0 | 0 | 0 | 105.7 | Y79 N83 | Y79-I81 HydrophobicContact CD2-CD1 4.5Å; Y79-I81 HydrophobicContact CD2-CG1 3.69Å; Y79-I81 HydrophobicContact CE2-CD1 3.83Å; Y79-I81 HydrophobicContact CE2-CG1 3.51Å; Y79-I81 PolarHBondContact O-N 2.93Å; I81-N83 VanDerWaalsContact CG2-OD1 3.23Å; I81-N83 WeakPolarHBondContact CG2-OD1 3.23Å; I81-N83 PolarHBondContact O-N 2.99Å |
| 82 | N | 59.8 | Low | 58.1 | Low | 104 Ų | 104 | 151 Ų | 151 | 56% | 0.556 | 73% | 0.73 | S | S | * | * | | | trans | -71.8 | 96.4 | 173.6 | -171.2 | 8.1 | 0 | 0 | 0 | 107.9 | K80 N84 | K80-N82 VanDerWaalsContact C-N 3.29Å; K80-N82 PolarHBondContact O-N 3.06Å; N82-N84 PolarHBondContact O-N 3.11Å; N82-N84 VanDerWaalsContact OD1-CB 3.3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.3Å; N82-N84 PolarHBondContact OD1-N 3.2Å |
| 83 | N | 57 | Low | 58.3 | Low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | | | trans | -72.3 | -1.5 | 175.5 | -76.6 | -10.5 | 0 | 0 | 0 | 112.9 | I81 N85 | I81-N83 VanDerWaalsContact CG2-OD1 3.23Å; I81-N83 WeakPolarHBondContact CG2-OD1 3.23Å; I81-N83 PolarHBondContact O-N 2.99Å; N83-N85 PolarHBondContact O-N 3.26Å |
| 84 | N | 52.3 | Low | 58.6 | Low | 125 Ų | 125 | 150.8 Ų | 150.8 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | trans | -80.9 | 78.3 | 172.5 | -58.7 | -5.2 | 0 | 0 | 0 | 108.3 | N82 | N82-N84 PolarHBondContact O-N 3.11Å; N82-N84 VanDerWaalsContact OD1-CB 3.3Å; N82-N84 WeakPolarHBondContact OD1-CB 3.3Å; N82-N84 PolarHBondContact OD1-N 3.2Å |
| 85 | N | 49.3 | Very low | 59.5 | Low | 97 Ų | 97 | 149.6 Ų | 149.6 | 52% | 0.519 | 73% | 0.734 | S | S | . | * | | | trans | 179.5 | 79.6 | 146.9 | -86.2 | -46.1 | 0 | 0 | 0 | 108.1 | N83 G87 K88 | N83-N85 PolarHBondContact O-N 3.26Å; N85-G87 PolarHBondContact O-N 3.42Å; N85-K88 HydrophobicContact CB-CD 4.15Å; N85-K88 HydrophobicContact CB-CG 3.95Å; N85-K88 WeakPolarHBondContact ND2-CE 3.38Å |
| 86 | S | 50.6 | Low | 60.3 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 88% | 0.881 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.9 | 110.3 | 144.1 | 49 | 0 | 0 | 0 | 0 | 108.5 | | |
| 87 | G | 53.3 | Low | 61.1 | Low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.5 | 11.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | N85 K89 | N85-G87 PolarHBondContact O-N 3.42Å; G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.45Å |
| 88 | K | 50.7 | Low | 62.1 | Low | 156 Ų | 156 | 142.7 Ų | 142.7 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | trans | -70.9 | 89.1 | 171.4 | -72.1 | -173.6 | 178.7 | 170.9 | 0 | 111.1 | N85 K90 | N85-K88 HydrophobicContact CB-CD 4.15Å; N85-K88 HydrophobicContact CB-CG 3.95Å; N85-K88 WeakPolarHBondContact ND2-CE 3.38Å; K88-K90 PolarHBondContact O-N 3.44Å |
| 89 | K | 57.4 | Low | 63.3 | Low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | | | trans | -22.1 | 117 | 161.9 | -69.1 | 174.1 | 176.5 | 176.3 | 0 | 110.4 | G87 R91 | G87-K89 VanDerWaalsContact C-N 3.28Å; G87-K89 PolarHBondContact O-N 3.45Å; K89-R91 PolarHBondContact O-N 3.46Å |
| 90 | K | 59.8 | Low | 64.4 | Low | 191 Ų | 191 | 146.2 Ų | 146.2 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | | | trans | -46.3 | 112.6 | 164.7 | -74 | -179 | 176.9 | 177.4 | 0 | 106.1 | K88 K92 | K88-K90 PolarHBondContact O-N 3.44Å; K90-K92 PolarHBondContact O-N 3.04Å |
| 91 | R | 63.2 | Low | 65.7 | Low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 73% | 0.734 | S | S | * | * | | | trans | -60.3 | 92.8 | 174.7 | -71.4 | -179.8 | 178.2 | 140 | -4.5 | 106.4 | K89 N93 | K89-R91 PolarHBondContact O-N 3.46Å; R91-N93 PolarHBondContact O-N 3.26Å |
| 92 | K | 62.9 | Low | 66.9 | Low | 182 Ų | 182 | 146.4 Ų | 146.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | -70.5 | 109.2 | 167.5 | -64.3 | -138.5 | -177.6 | -176.4 | 0 | 104 | K90 E94 | K90-K92 PolarHBondContact O-N 3.04Å; K92-E94 PolarHBondContact O-N 3.17Å |
| 93 | N | 66.2 | Low | 68.2 | Low | 105 Ų | 105 | 147.8 Ų | 147.8 | 56% | 0.561 | 76% | 0.761 | S | S | * | * | | | trans | -63.5 | 107.8 | 167.1 | 176.6 | -4.4 | 0 | 0 | 0 | 105.3 | R91 N95 S96 | R91-N93 PolarHBondContact O-N 3.26Å; N93-N95 PolarHBondContact O-N 2.91Å; N93-N95 PolarHBondContact OD1-N 2.74Å; N93-N95 VanDerWaalsContact OD1-N 3.11Å; N93-S96 PolarHBondContact O-N 2.92Å; N93-S96 PolarHBondContact O-OG 3.27Å; N93-S96 VanDerWaalsContact O-OG 3.1Å |
| 94 | E | 67.8 | Low | 69.7 | Low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -21.5 | -177.3 | -70.9 | 175.6 | 178.1 | 0 | 0 | 111.8 | K92 | K92-E94 PolarHBondContact O-N 3.17Š|
| 95 | N | 73.5 | Confident | 71.3 | Confident | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 8.9 | -177.5 | -58.8 | 27.6 | 0 | 0 | 0 | 113.1 | N93 I97 | N93-N95 PolarHBondContact O-N 2.91Å; N93-N95 PolarHBondContact OD1-N 2.74Å; N93-N95 VanDerWaalsContact OD1-N 3.11Å; N95-I97 PolarHBondContact O-N 3.06Å |
| 96 | S | 76 | Confident | 73 | Confident | 78 Ų | 78 | 152.3 Ų | 152.3 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | | | trans | -75.4 | 114.6 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 111.2 | N93 | N93-S96 PolarHBondContact O-N 2.92Å; N93-S96 PolarHBondContact O-OG 3.27Å; N93-S96 VanDerWaalsContact O-OG 3.1Å |
| 97 | I | 79.4 | Confident | 74.5 | Confident | 152 Ų | 152 | 156.3 Ų | 156.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -77 | 127.7 | 171.6 | -57 | 170.3 | 0 | 0 | 0 | 108.3 | N95 I99 | N95-I97 PolarHBondContact O-N 3.06Å; I97-I99 PolarHBondContact O-N 3.01Å |
| 98 | P | 80.4 | Confident | 75.4 | Confident | 111 Ų | 111 | 168.1 Ų | 168.1 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | | | trans | -65.4 | 129.9 | 177.2 | 25.5 | -32.5 | 0 | 0 | 0 | 111.2 | K100 | P98-K100 PolarHBondContact O-N 3Š|
| 99 | I | 83.2 | Confident | 76.6 | Confident | 171 Ų | 171 | 168.8 Ų | 168.8 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -80.1 | 116 | 176 | -59.9 | 170 | 0 | 0 | 0 | 108.4 | I97 | I97-I99 PolarHBondContact O-N 3.01Š|
| 100 | K | 87.1 | Confident | 77.7 | Confident | 189 Ų | 189 | 167.6 Ų | 167.6 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 137.1 | 170.6 | -65.4 | -177.5 | -179.3 | 179.6 | 0 | 109.8 | P98 | P98-K100 PolarHBondContact O-N 3Š|
| 101 | A | 87.2 | Confident | 78.7 | Confident | 98 Ų | 98 | 166.3 Ų | 166.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 142.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 102 | R | 86.9 | Confident | 79.6 | Confident | 227 Ų | 227 | 161.5 Ų | 161.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 140.5 | 173.1 | -66.8 | -173.3 | 177.2 | 115.3 | -1.1 | 109.5 | V104 | R102-V104 PolarHBondContact O-N 3.1Š|
| 103 | P | 87.4 | Confident | 80.6 | Confident | 133 Ų | 133 | 160.3 Ų | 160.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 134.1 | 174.7 | 26.6 | -32.9 | 0 | 0 | 0 | 110.1 | | |
| 104 | V | 88.3 | Confident | 81.6 | Confident | 122 Ų | 122 | 163.9 Ų | 163.9 | 74% | 0.739 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 125.2 | 175 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | R102 L106 | R102-V104 PolarHBondContact O-N 3.1Å; V104-L106 PolarHBondContact O-N 3.21Å |
| 105 | L | 85.7 | Confident | 82.6 | Confident | 170 Ų | 170 | 162.2 Ų | 162.2 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | | | trans | -70.3 | 110.3 | 170.3 | -75.4 | 167.6 | 0 | 0 | 0 | 108.6 | K107 | L105-K107 PolarHBondContact O-N 3.35Š|
| 106 | L | 85.1 | Confident | 83.3 | Confident | 159 Ų | 159 | 164.2 Ų | 164.2 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -77.3 | 116.6 | 168.9 | -62.6 | 173.7 | 0 | 0 | 0 | 107.9 | V104 R108 | V104-L106 PolarHBondContact O-N 3.21Å; L106-R108 PolarHBondContact O-N 2.79Å |
| 107 | K | 82.4 | Confident | 83.9 | Confident | 209 Ų | 209 | 171.4 Ų | 171.4 | 91% | 0.909 | 86% | 0.858 | S | S | * | * | | | trans | -67.6 | 120.4 | 166.3 | -69.7 | -176.5 | 177.9 | -176.9 | 0 | 107.3 | L105 | L105-K107 PolarHBondContact O-N 3.35Š|
| 108 | R | 73.2 | Confident | 84.3 | Confident | 316 Ų | 316 | 173.2 Ų | 173.2 | 100% | 1.192 | 87% | 0.865 | S | S | * | * | | | trans | -77.8 | 0 | 165.9 | -71.4 | -175.5 | -179.4 | 166.3 | -0 | 109.6 | L106 | L106-R108 PolarHBondContact O-N 2.79Š|