| 1 | M | 54.2 | Low | 69.7 | Low | 237 Ų | 237 | 183.4 Ų | 183.4 | 100% | 1.167 | 87% | 0.865 | S | S | * | * | | | | 0 | 121.2 | 0 | -78.3 | -167.8 | 163.8 | 0 | 0 | 108.5 | | |
| 2 | T | 55.3 | Low | 70.8 | Confident | 137 Ų | 137 | 180.1 Ų | 180.1 | 84% | 0.84 | 87% | 0.865 | S | S | * | * | | | trans | -106 | 92.3 | 178.8 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | K4 | T2-K4 PolarHBondContact O-N 3.06Å; T2-K4 VanDerWaalsContact O-N 3.16Å |
| 3 | E | 59.9 | Low | 71.9 | Confident | 167 Ų | 167 | 176.1 Ų | 176.1 | 78% | 0.78 | 84% | 0.844 | S | S | * | * | | | trans | -71.4 | 107.6 | 173.7 | -76.5 | -173.7 | 164.1 | 0 | 0 | 109.9 | R5 | E3-R5 PolarHBondContact O-N 2.95Š|
| 4 | K | 66.8 | Low | 72.8 | Confident | 202 Ų | 202 | 170.2 Ų | 170.2 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | | | trans | -70.8 | 97.2 | 169.2 | -68.4 | -158.6 | 177.3 | -173.8 | 0 | 109.1 | T2 S6 | T2-K4 PolarHBondContact O-N 3.06Å; T2-K4 VanDerWaalsContact O-N 3.16Å; K4-S6 PolarHBondContact O-N 2.94Å; K4-S6 VanDerWaalsContact O-N 3.1Å |
| 5 | R | 66.9 | Low | 73.4 | Confident | 222 Ų | 222 | 170.2 Ų | 170.2 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -65.2 | 106.3 | 168 | -79 | -178.8 | 148.1 | 115 | -2.1 | 109.2 | E3 S7 | E3-R5 PolarHBondContact O-N 2.95Å; R5-S7 PolarHBondContact O-N 2.96Å |
| 6 | S | 69.5 | Low | 73.8 | Confident | 120 Ų | 120 | 165.3 Ų | 165.3 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | -66.5 | 111.5 | 166.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | K4 | K4-S6 PolarHBondContact O-N 2.94Å; K4-S6 VanDerWaalsContact O-N 3.1Å |
| 7 | S | 69.8 | Low | 74 | Confident | 101 Ų | 101 | 163.9 Ų | 163.9 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -81.8 | 113.6 | 173.1 | 27.7 | 0 | 0 | 0 | 0 | 109.4 | R5 I9 | R5-S7 PolarHBondContact O-N 2.96Å; S7-I9 PolarHBondContact O-N 2.84Å; S7-I9 VanDerWaalsContact O-N 3.14Å |
| 8 | R | 79.9 | Confident | 73.8 | Confident | 242 Ų | 242 | 161.3 Ų | 161.3 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | -67.8 | 107.5 | 170.1 | -178.7 | 178 | -73.4 | 176.5 | -3 | 108.6 | R10 | R8-R10 PolarHBondContact O-N 2.86Š|
| 9 | I | 78.4 | Confident | 73.6 | Confident | 154 Ų | 154 | 155.9 Ų | 155.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.5 | 174.4 | -60.2 | 168.6 | 0 | 0 | 0 | 108.2 | S7 | S7-I9 PolarHBondContact O-N 2.84Å; S7-I9 VanDerWaalsContact O-N 3.14Å |
| 10 | R | 82.2 | Confident | 73.3 | Confident | 228 Ų | 228 | 157.1 Ų | 157.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76 | 132.3 | 171.4 | -67.9 | -175.1 | -70.7 | -167.7 | -0.8 | 108.7 | R8 | R8-R10 PolarHBondContact O-N 2.86Š|
| 11 | K | 84.2 | Confident | 72.8 | Confident | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.8 | 170.1 | -68.3 | -175.7 | 178.4 | -177.3 | 0 | 108.8 | | |
| 12 | V | 82.8 | Confident | 73.2 | Confident | 144 Ų | 144 | 146.9 Ų | 146.9 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 121.5 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 13 | H | 84.3 | Confident | 73.5 | Confident | 128 Ų | 128 | 144.5 Ų | 144.5 | 59% | 0.593 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 135.6 | 172.1 | -149.9 | -80.1 | 0 | 0 | 0 | 108.8 | | |
| 14 | N | 84.9 | Confident | 73.6 | Confident | 94 Ų | 94 | 145 Ų | 145 | 50% | 0.503 | 74% | 0.737 | S | S | . | * | | | trans | -91.9 | 111.1 | 173.7 | -174 | -2.1 | 0 | 0 | 0 | 108.8 | A16 L17 | N14-A16 VanDerWaalsContact C-N 3.3Å; N14-A16 WeakPolarHBondContact OD1-CB 3.29Å; N14-A16 PolarHBondContact OD1-N 3.25Å; N14-L17 HydrophobicContact CB-CD1 4.43Å |
| 15 | Y | 82 | Confident | 73.4 | Confident | 170 Ų | 170 | 143.2 Ų | 143.2 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -77.6 | -13.6 | 179.7 | -62.3 | -74.9 | 0 | 0 | 0 | 113.3 | L17 L18 | Y15-L17 PolarHBondContact O-N 3.13Å; Y15-L17 VanDerWaalsContact O-N 3.14Å; Y15-L18 HydrophobicContact CD1-CD2 4.18Å; Y15-L18 WeakPolarHBondContact O-CB 3.46Å; Y15-L18 PolarHBondContact O-N 2.82Å |
| 16 | A | 80.4 | Confident | 73.3 | Confident | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -67.2 | -12.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | N14 | N14-A16 VanDerWaalsContact C-N 3.3Å; N14-A16 WeakPolarHBondContact OD1-CB 3.29Å; N14-A16 PolarHBondContact OD1-N 3.25Å |
| 17 | L | 77.2 | Confident | 72.9 | Confident | 143 Ų | 143 | 140.2 Ų | 140.2 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -96.9 | -5.6 | 173.6 | -59.2 | 178.2 | 0 | 0 | 0 | 112.6 | N14 Y15 G19 | N14-L17 HydrophobicContact CB-CD1 4.43Å; Y15-L17 PolarHBondContact O-N 3.13Å; Y15-L17 VanDerWaalsContact O-N 3.14Å; L17-G19 PolarHBondContact O-N 2.74Å |
| 18 | L | 70.5 | Confident | 72.3 | Confident | 116 Ų | 116 | 142.7 Ų | 142.7 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -83.9 | 95.4 | 175.3 | -161.7 | 69.1 | 0 | 0 | 0 | 105.9 | Y15 | Y15-L18 HydrophobicContact CD1-CD2 4.18Å; Y15-L18 WeakPolarHBondContact O-CB 3.46Å; Y15-L18 PolarHBondContact O-N 2.82Å |
| 19 | G | 70 | Confident | 71.4 | Confident | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | | | trans | -55.9 | 151 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L17 S21 | L17-G19 PolarHBondContact O-N 2.74Å; G19-S21 PolarHBondContact O-N 3.07Å |
| 20 | D | 67.1 | Low | 70.7 | Confident | 178 Ų | 178 | 139 Ų | 139 | 95% | 0.952 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -67.6 | 24.7 | -174.4 | -58.8 | -42.3 | 0 | 0 | 0 | 114.7 | D22 | D20-D22 PolarHBondContact O-N 3.08Š|
| 21 | S | 62.6 | Low | 69.9 | Low | 71 Ų | 71 | 133.2 Ų | 133.2 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | | | trans | -90.5 | 81.3 | -173.1 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | G19 T23 | G19-S21 PolarHBondContact O-N 3.07Å; S21-T23 PolarHBondContact O-N 3.02Å; S21-T23 PolarHBondContact OG-OG1 2.88Å |
| 22 | D | 62.1 | Low | 68.9 | Low | 109 Ų | 109 | 128.4 Ų | 128.4 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -78.5 | 2.3 | 166.9 | -142.7 | 14.3 | 0 | 0 | 0 | 112.1 | D20 E24 F25 | D20-D22 PolarHBondContact O-N 3.08Å; D22-E24 VanDerWaalsContact C-N 3.32Å; D22-E24 PolarHBondContact O-N 3.43Å; D22-F25 PolarHBondContact O-N 2.9Å |
| 23 | T | 61.7 | Low | 67.9 | Low | 87 Ų | 87 | 130.1 Ų | 130.1 | 53% | 0.534 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -69.9 | -27.1 | 179.9 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | S21 F25 D27 | S21-T23 PolarHBondContact O-N 3.02Å; S21-T23 PolarHBondContact OG-OG1 2.88Å; T23-F25 PolarHBondContact O-N 3.07Å; T23-D27 VanDerWaalsContact O-CG 3.25Å; T23-D27 PolarHBondContact O-N 3.17Å |
| 24 | E | 61.6 | Low | 66.7 | Low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -71.5 | -13.8 | 176.1 | -81.6 | -171.8 | 174.4 | 0 | 0 | 113.7 | D22 | D22-E24 VanDerWaalsContact C-N 3.32Å; D22-E24 PolarHBondContact O-N 3.43Å |
| 25 | F | 62.6 | Low | 65.9 | Low | 165 Ų | 165 | 137.1 Ų | 137.1 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -93.4 | -16.3 | -176.9 | -133.2 | -89.4 | 0 | 0 | 0 | 113.9 | D22 T23 | D22-F25 PolarHBondContact O-N 2.9Å; T23-F25 PolarHBondContact O-N 3.07Å |
| 26 | F | 65 | Low | 64.8 | Low | 149 Ų | 149 | 139.2 Ų | 139.2 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | -2.3 | -174.7 | -62.1 | -75.7 | 0 | 0 | 0 | 114.4 | D28 | F26-D28 PolarHBondContact O-N 2.97Š|
| 27 | D | 61.7 | Low | 63.8 | Low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | | | trans | -80.2 | 64.9 | 172 | -72.4 | -19.8 | 0 | 0 | 0 | 110.8 | T23 D29 | T23-D27 VanDerWaalsContact O-CG 3.25Å; T23-D27 PolarHBondContact O-N 3.17Å; D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.14Å |
| 28 | D | 58 | Low | 62.6 | Low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -94 | 32.6 | 179.5 | -114.6 | -2.5 | 0 | 0 | 0 | 112.2 | F26 | F26-D28 PolarHBondContact O-N 2.97Š|
| 29 | D | 60.7 | Low | 61.7 | Low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -126.1 | 21.6 | -169.1 | -91.9 | -20.8 | 0 | 0 | 0 | 116.3 | D27 | D27-D29 VanDerWaalsContact C-N 3.32Å; D27-D29 PolarHBondContact O-N 3.14Å |
| 30 | E | 63 | Low | 61.1 | Low | 163 Ų | 163 | 148.3 Ų | 148.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -133.9 | 120 | 162.6 | -87.3 | -111.8 | 150.2 | 0 | 0 | 111.5 | V32 | E30-V32 PolarHBondContact O-N 2.67Š|
| 31 | P | 64.7 | Low | 60.4 | Low | 106 Ų | 106 | 148.9 Ų | 148.9 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | | | trans | -64.2 | 109.1 | 167.1 | 26.4 | -30.9 | 0 | 0 | 0 | 108 | K33 | P31-K33 PolarHBondContact O-N 3.13Š|
| 32 | V | 63.7 | Low | 60 | Low | 106 Ų | 106 | 151.7 Ų | 151.7 | 64% | 0.642 | 76% | 0.761 | S | S | * | * | | | trans | -51 | 102.2 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | E30 F34 | E30-V32 PolarHBondContact O-N 2.67Å; V32-F34 HydrophobicContact CB-CE2 4.16Å; V32-F34 HydrophobicContact CB-CZ 4.41Å; V32-F34 HydrophobicContact CG1-CD1 4.34Å; V32-F34 HydrophobicContact CG1-CD2 4.24Å; V32-F34 HydrophobicContact CG1-CE1 4.09Å; V32-F34 HydrophobicContact CG1-CE2 3.99Å; V32-F34 HydrophobicContact CG1-CG 4.4Å; V32-F34 HydrophobicContact CG1-CZ 3.92Å; V32-F34 VanDerWaalsContact O-CD2 3.31Å; V32-F34 WeakPolarHBondContact O-CD2 3.5Å; V32-F34 PolarHBondContact O-N 3.32Å |
| 33 | K | 61.9 | Low | 60 | Low | 180 Ų | 180 | 155.1 Ų | 155.1 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -68.6 | 88.6 | 173 | -69.5 | 175.4 | -175.4 | 165.1 | 0 | 107 | P31 K35 | P31-K33 PolarHBondContact O-N 3.13Å; K33-K35 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 3.38Å |
| 34 | F | 60.3 | Low | 59.8 | Low | 181 Ų | 181 | 157.1 Ų | 157.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -59.2 | 100.2 | 167.9 | -69.2 | -79.3 | 0 | 0 | 0 | 108.2 | V32 K36 | V32-F34 HydrophobicContact CB-CE2 4.16Å; V32-F34 HydrophobicContact CB-CZ 4.41Å; V32-F34 HydrophobicContact CG1-CD1 4.34Å; V32-F34 HydrophobicContact CG1-CD2 4.24Å; V32-F34 HydrophobicContact CG1-CE1 4.09Å; V32-F34 HydrophobicContact CG1-CE2 3.99Å; V32-F34 HydrophobicContact CG1-CG 4.4Å; V32-F34 HydrophobicContact CG1-CZ 3.92Å; V32-F34 VanDerWaalsContact O-CD2 3.31Å; V32-F34 WeakPolarHBondContact O-CD2 3.5Å; V32-F34 PolarHBondContact O-N 3.32Å; F34-K36 PolarHBondContact O-N 3.47Å; F34-K36 VanDerWaalsContact O-N 3.13Å |
| 35 | K | 66.1 | Low | 59.6 | Low | 187 Ų | 187 | 156.1 Ų | 156.1 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -56.3 | 117 | 162.4 | -77.3 | -83.7 | -177.3 | 173.4 | 0 | 106.3 | K33 T37 | K33-K35 VanDerWaalsContact C-N 3.34Å; K33-K35 PolarHBondContact O-N 3.38Å; K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.25Å |
| 36 | K | 60.5 | Low | 59.3 | Low | 215 Ų | 215 | 153.1 Ų | 153.1 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | | | trans | -61.8 | 96.1 | 166.9 | -70.7 | 179 | 177.9 | 179.2 | 0 | 107.3 | F34 | F34-K36 PolarHBondContact O-N 3.47Å; F34-K36 VanDerWaalsContact O-N 3.13Å |
| 37 | T | 57.8 | Low | 59.2 | Low | 123 Ų | 123 | 155.3 Ų | 155.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -86.9 | 121.2 | 165.4 | -42.3 | 0 | 0 | 0 | 0 | 106.6 | K35 V39 | K35-T37 VanDerWaalsContact C-N 3.31Å; K35-T37 PolarHBondContact O-N 3.25Å; T37-V39 PolarHBondContact O-N 3.06Å |
| 38 | D | 52.2 | Low | 59.2 | Low | 152 Ų | 152 | 155.5 Ų | 155.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -43.9 | 123.2 | 179.8 | -87.5 | -39.3 | 0 | 0 | 0 | 111.9 | K40 | D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 2.63Å |
| 39 | V | 52.7 | Low | 59.2 | Low | 141 Ų | 141 | 153.4 Ų | 153.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -69 | 88.6 | 170.9 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | T37 | T37-V39 PolarHBondContact O-N 3.06Š|
| 40 | K | 57.7 | Low | 58.6 | Low | 185 Ų | 185 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -77.8 | 120.2 | 156.8 | -80 | -167.8 | 175.3 | -176.4 | 0 | 108.1 | D38 V42 | D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 2.63Å; K40-V42 PolarHBondContact O-N 2.63Å; K40-V42 VanDerWaalsContact O-N 3.13Å |
| 41 | E | 51.3 | Low | 58.4 | Low | 190 Ų | 190 | 154.9 Ų | 154.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | -32 | 107.3 | 172.9 | -63.1 | 175.3 | 148.4 | 0 | 0 | 113.3 | | |
| 42 | V | 54.3 | Low | 57.8 | Low | 129 Ų | 129 | 158.9 Ų | 158.9 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | | | trans | -100.6 | 105.4 | 167 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | K40 | K40-V42 PolarHBondContact O-N 2.63Å; K40-V42 VanDerWaalsContact O-N 3.13Å |
| 43 | K | 61.9 | Low | 57 | Low | 181 Ų | 181 | 163 Ų | 163 | 79% | 0.787 | 82% | 0.823 | S | S | * | * | | | trans | -52.8 | 147 | 170.4 | -81 | 175.8 | 176 | 173.5 | 0 | 111 | I45 | K43-I45 PolarHBondContact O-N 3.06Å; K43-I45 VanDerWaalsContact O-N 3.1Å |
| 44 | P | 57.9 | Low | 56.7 | Low | 130 Ų | 130 | 162.8 Ų | 162.8 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | | | trans | -65.8 | 113.5 | 176.4 | 26.3 | -31.8 | 0 | 0 | 0 | 110 | S46 | P44-S46 PolarHBondContact O-N 3.3Š|
| 45 | I | 57.7 | Low | 56 | Low | 156 Ų | 156 | 159.8 Ų | 159.8 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | | | trans | -73.2 | 123 | 178 | -62.8 | 169 | 0 | 0 | 0 | 108.9 | K43 | K43-I45 PolarHBondContact O-N 3.06Å; K43-I45 VanDerWaalsContact O-N 3.1Å |
| 46 | S | 57.1 | Low | 55.7 | Low | 101 Ų | 101 | 160.8 Ų | 160.8 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | | | trans | -56.7 | 150.5 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | P44 | P44-S46 PolarHBondContact O-N 3.3Š|
| 47 | K | 63 | Low | 55.1 | Low | 196 Ų | 196 | 157.8 Ų | 157.8 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | | | trans | -39.6 | 141 | 178.2 | -60.4 | 175.9 | -179.4 | 176.1 | 0 | 114.3 | S49 | K47-S49 PolarHBondContact O-N 3.46Š|
| 48 | P | 60.7 | Low | 54.5 | Low | 135 Ų | 135 | 158.1 Ų | 158.1 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | trans | -73.7 | 112.8 | 178.2 | 28.7 | -31.2 | 0 | 0 | 0 | 111.1 | | |
| 49 | S | 58.9 | Low | 54.1 | Low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -78.8 | 143.8 | 167 | -180 | 0 | 0 | 0 | 0 | 110.3 | K47 | K47-S49 PolarHBondContact O-N 3.46Š|
| 50 | K | 47.5 | Very low | 54.1 | Low | 208 Ų | 208 | 156.1 Ų | 156.1 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | | | trans | -58.4 | 130.6 | -177.4 | -66.3 | 175 | 177.3 | 174.2 | 0 | 111.5 | | |
| 51 | T | 58.5 | Low | 54 | Low | 143 Ų | 143 | 156 Ų | 156 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -137.5 | 135.5 | 160 | -33 | 0 | 0 | 0 | 0 | 111.1 | | |
| 52 | K | 51.6 | Low | 53.7 | Low | 189 Ų | 189 | 156 Ų | 156 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -81.2 | 152.2 | -170 | -77.3 | 174.3 | 175 | 174.3 | 0 | 112 | | |
| 53 | K | 47.4 | Very low | 53.5 | Low | 194 Ų | 194 | 156.1 Ų | 156.1 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | | | trans | 63.9 | 110.7 | 148.4 | -71.3 | -171.1 | 177.4 | -163.2 | 0 | 118.4 | | |
| 54 | L | 54.7 | Low | 53.2 | Low | 175 Ų | 175 | 156.3 Ų | 156.3 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -137 | 140.9 | 132.5 | -110.3 | 118.3 | 0 | 0 | 0 | 110.6 | | |
| 55 | T | 47.1 | Very low | 52.6 | Low | 117 Ų | 117 | 156.6 Ų | 156.6 | 72% | 0.718 | 83% | 0.832 | S | S | * | * | | | trans | -63.7 | 143.2 | -169 | 27.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 56 | K | 58.6 | Low | 52.5 | Low | 208 Ų | 208 | 156.3 Ų | 156.3 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | | | trans | -158.2 | 104.6 | 147.3 | -104.9 | 172.8 | -170.5 | -175.2 | 0 | 108.6 | T58 | K56-T58 PolarHBondContact O-N 2.95Š|
| 57 | D | 47.8 | Very low | 51.9 | Low | 153 Ų | 153 | 160 Ų | 160 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | trans | -67.7 | 112.5 | 172.9 | -81.6 | -50.1 | 0 | 0 | 0 | 110.9 | | |
| 58 | T | 45.9 | Very low | 51.6 | Low | 129 Ų | 129 | 157 Ų | 157 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | | | | 36.7 | 111.5 | 126.5 | -30.1 | 0 | 0 | 0 | 0 | 120.2 | K56 | K56-T58 PolarHBondContact O-N 2.95Š|
| 59 | S | 43.7 | Very low | 51.2 | Low | 101 Ų | 101 | 162.3 Ų | 162.3 | 71% | 0.706 | 84% | 0.837 | S | S | * | * | | | | 176.6 | 94.1 | 125.2 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 60 | V | 53.7 | Low | 50.4 | Low | 150 Ų | 150 | 167.1 Ų | 167.1 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | | | trans | -134 | 120.3 | 160.3 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 61 | K | 54.5 | Low | 50.8 | Low | 184 Ų | 184 | 166.7 Ų | 166.7 | 80% | 0.8 | 85% | 0.846 | S | S | * | * | | | trans | -65.5 | 154.2 | -173.7 | -65.4 | -176.6 | 173.8 | -175.6 | 0 | 112.2 | | |
| 62 | Q | 44.5 | Very low | 50.6 | Low | 190 Ų | 190 | 168.2 Ų | 168.2 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -44.3 | 137.3 | 174.4 | -65.4 | 165.4 | -29.8 | 0 | 0 | 113.3 | | |
| 63 | C | 51.2 | Low | 51 | Low | 131 Ų | 131 | 164.7 Ų | 164.7 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | | | trans | -122.8 | 136.6 | 157.3 | -76.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 64 | E | 54.8 | Low | 51.4 | Low | 185 Ų | 185 | 160.9 Ų | 160.9 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | | | trans | -73.1 | 146.8 | -157.4 | -66.8 | 166 | 136.2 | 0 | 0 | 114.9 | I66 | E64-I66 PolarHBondContact O-N 3.38Š|
| 65 | T | 46.2 | Very low | 51 | Low | 136 Ų | 136 | 159.8 Ų | 159.8 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | | | trans | -70.8 | 110.7 | 171.8 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 66 | I | 55.8 | Low | 51.7 | Low | 150 Ų | 150 | 160.7 Ų | 160.7 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | | | trans | -86.5 | 112.2 | 168.7 | -60.1 | 176.4 | 0 | 0 | 0 | 108.9 | E64 | E64-I66 PolarHBondContact O-N 3.38Š|
| 67 | Q | 44.8 | Very low | 51.3 | Low | 178 Ų | 178 | 157.2 Ų | 157.2 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -73.5 | 127 | 166.4 | -73.9 | 179 | 16.4 | 0 | 0 | 109.8 | | |
| 68 | T | 55.6 | Low | 52.1 | Low | 133 Ų | 133 | 157.1 Ų | 157.1 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | | | trans | -117.2 | 122.1 | 159.7 | 44.1 | 0 | 0 | 0 | 0 | 110 | | |
| 69 | R | 52.4 | Low | 53 | Low | 246 Ų | 246 | 157.8 Ų | 157.8 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | | | trans | -58.5 | 147.4 | -174.6 | -78.7 | 178.9 | 169.9 | -175.7 | -2.6 | 113.1 | | |
| 70 | K | 43.1 | Very low | 53.3 | Low | 209 Ų | 209 | 161.9 Ų | 161.9 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -64.2 | 135.1 | 168 | -68.9 | 175.2 | 172.7 | 178.2 | 0 | 110.9 | | |
| 71 | E | 54.6 | Low | 53.6 | Low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | | | trans | -133.4 | 140.2 | 154.2 | -150.4 | 174.8 | -165.9 | 0 | 0 | 109.2 | | |
| 72 | M | 55.5 | Low | 53.4 | Low | 175 Ų | 175 | 159.8 Ų | 159.8 | 86% | 0.862 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 144 | -156.6 | -159.7 | 126.5 | 88.3 | 0 | 0 | 112.2 | | |
| 73 | P | 58.2 | Low | 53.9 | Low | 115 Ų | 115 | 159.1 Ų | 159.1 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 141.4 | 172.1 | 31.1 | -30.9 | 0 | 0 | 0 | 111.4 | | |
| 74 | P | 55.7 | Low | 54 | Low | 115 Ų | 115 | 159.2 Ų | 159.2 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 140.9 | 173.5 | 30 | -31.4 | 0 | 0 | 0 | 111.2 | | |
| 75 | N | 47.7 | Very low | 53.5 | Low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 116.7 | -176.2 | -151.5 | -4.7 | 0 | 0 | 0 | 110 | | |
| 76 | I | 60.8 | Low | 53.9 | Low | 137 Ų | 137 | 155.8 Ų | 155.8 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | | | trans | -113.6 | 112.7 | 173.2 | -57.1 | 177.5 | 0 | 0 | 0 | 108.6 | I78 | I76-I78 HydrophobicContact CG2-CD1 4.4Å; I76-I78 HydrophobicContact CG2-CG1 3.97Å |
| 77 | I | 49.9 | Very low | 53.3 | Low | 135 Ų | 135 | 156.2 Ų | 156.2 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | trans | -89.5 | 124.1 | 173.9 | -60.1 | 168.1 | 0 | 0 | 0 | 107.2 | | |
| 78 | I | 65.4 | Low | 53.8 | Low | 150 Ų | 150 | 153.7 Ų | 153.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -122 | 111.2 | 171.8 | -50.3 | 177.6 | 0 | 0 | 0 | 107.5 | I76 | I76-I78 HydrophobicContact CG2-CD1 4.4Å; I76-I78 HydrophobicContact CG2-CG1 3.97Å |
| 79 | N | 64.1 | Low | 53 | Low | 143 Ų | 143 | 153.4 Ų | 153.4 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | | | trans | -80.8 | 135.2 | 174.9 | -68.8 | -24.2 | 0 | 0 | 0 | 110.1 | | |
| 80 | E | 51.3 | Low | 52.7 | Low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -68.6 | 140 | 179.3 | -63.8 | -173.2 | 155.9 | 0 | 0 | 112.8 | | |
| 81 | A | 58.9 | Low | 53.1 | Low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -105.2 | 117.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 82 | K | 50.5 | Low | 52.3 | Low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -73.7 | 125.4 | 172.8 | -70.8 | -179.9 | 177.1 | -174.1 | 0 | 110 | | |
| 83 | L | 55.9 | Low | 51.7 | Low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -102.5 | 115.2 | 167.4 | -79.2 | 166.6 | 0 | 0 | 0 | 110.1 | | |
| 84 | T | 53.4 | Low | 51 | Low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | | | trans | -88.2 | 131.3 | 175.6 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 85 | T | 42.9 | Very low | 50.8 | Low | 138 Ų | 138 | 145.1 Ų | 145.1 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | | | trans | -77 | 134.9 | 175.5 | -38.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 86 | S | 54.6 | Low | 51.2 | Low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | | | trans | -142.6 | 120 | 159.6 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 87 | N | 43.5 | Very low | 50.6 | Low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | | | trans | -89.6 | 142.8 | 166.6 | -87.3 | -12.5 | 0 | 0 | 0 | 109 | | |
| 88 | P | 55.3 | Low | 50.7 | Low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -113.4 | 125.6 | 151.5 | 29.8 | -17 | 0 | 0 | 0 | 111.3 | | |
| 89 | S | 39.1 | Very low | 49.7 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 88% | 0.881 | 85% | 0.845 | S | S | * | * | | | trans | -68.8 | 139.3 | 166.7 | -179 | 0 | 0 | 0 | 0 | 110.3 | | |
| 90 | A | 47.1 | Very low | 49 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | | | trans | -151 | 143.8 | 163 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 91 | S | 50.6 | Low | 48.8 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | | | trans | -74.7 | 152.6 | -156.1 | 46.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 92 | H | 39.3 | Very low | 48.7 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.875 | 84% | 0.842 | S | S | * | * | | | trans | -75.5 | 149.7 | 166.1 | -80.4 | -91.9 | 0 | 0 | 0 | 112.5 | | |
| 93 | C | 42.6 | Very low | 48.7 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | | | trans | -138 | 132 | 161.7 | -159 | 0 | 0 | 0 | 0 | 109.3 | | |
| 94 | E | 43.2 | Very low | 48.6 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | | | trans | -88.4 | 135.9 | -176 | -61.7 | 175.9 | 156 | 0 | 0 | 111.2 | | |
| 95 | I | 51.4 | Low | 48.6 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | | | trans | -144.7 | 135.2 | 155.3 | -50.6 | 178.1 | 0 | 0 | 0 | 111.5 | | |
| 96 | S | 56 | Low | 49.3 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | | | trans | -51.6 | 155.7 | -169.1 | -51.3 | 0 | 0 | 0 | 0 | 122 | | |
| 97 | E | 47.2 | Very low | 49.2 | Very low | 196 Ų | 196 | 143 Ų | 143 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | | | trans | -73.3 | 150.7 | 168.8 | -60.6 | 176.3 | 161 | 0 | 0 | 113.4 | | |
| 98 | S | 53.2 | Low | 49.6 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 84% | 0.84 | S | S | * | * | | | trans | -147.7 | 144.1 | 152.8 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 99 | M | 44.9 | Very low | 49.2 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 83% | 0.833 | 84% | 0.843 | S | S | * | * | | | trans | -86 | 150.1 | -164 | -154 | 166.7 | 86.7 | 0 | 0 | 110.8 | | |
| 100 | T | 48.1 | Very low | 49.8 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 76% | 0.761 | 84% | 0.842 | S | S | * | * | | | | 168.6 | 159.9 | 96.3 | 38.4 | 0 | 0 | 0 | 0 | 112 | | |
| 101 | T | 46.7 | Very low | 49.9 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | | | trans | -80.4 | 156.4 | -169.1 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 102 | S | 56.8 | Low | 49.8 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | | | trans | -145.7 | 141.5 | 145.8 | 79.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 103 | S | 52.2 | Low | 50.6 | Low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | | | trans | -108.2 | 139.5 | -174.3 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 104 | H | 53.5 | Low | 50.8 | Low | 188 Ų | 188 | 139.6 Ų | 139.6 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | | | trans | -130.1 | 116.7 | 160 | -71 | -69.4 | 0 | 0 | 0 | 110.5 | | |
| 105 | K | 53.4 | Low | 51.1 | Low | 215 Ų | 215 | 138.6 Ų | 138.6 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | | | trans | -89.2 | 133.4 | 165.8 | -94.1 | -105.8 | -177.2 | -178.2 | 0 | 108 | | |
| 106 | A | 56.3 | Low | 51 | Low | 107 Ų | 107 | 135.2 Ų | 135.2 | 88% | 0.884 | 83% | 0.827 | S | S | * | * | | | trans | -144 | 137.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 107 | S | 52.9 | Low | 50.6 | Low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | trans | -97.6 | 142.6 | -169.7 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 108 | S | 52.8 | Low | 50.8 | Low | 119 Ų | 119 | 133.5 Ų | 133.5 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -177.7 | 131 | 137.4 | 30.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 109 | N | 47 | Very low | 50.5 | Low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -84.1 | 141.6 | 178.6 | -65.3 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 110 | S | 51.5 | Low | 50.7 | Low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -158.3 | 153.1 | 137.9 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 111 | S | 48.9 | Very low | 50.7 | Low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -63.7 | 162.5 | -147.7 | -53.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 112 | P | 48.2 | Very low | 50.9 | Low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | | | trans | -93.6 | 140.3 | -179.7 | 36.4 | -29.5 | 0 | 0 | 0 | 112.4 | | |
| 113 | S | 55.2 | Low | 50.5 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -152.1 | 135.9 | 158 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 114 | A | 48.4 | Very low | 50.4 | Low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | 74.8 | 97.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 115 | L | 47.9 | Very low | 50.2 | Low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -65 | 144.8 | 161.5 | -122 | 87 | 0 | 0 | 0 | 110.3 | | |
| 116 | V | 51 | Low | 50.2 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 60% | 0.6 | 79% | 0.789 | S | S | * | * | | | trans | 82.2 | 115.3 | 140.7 | 167.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 117 | H | 46.8 | Very low | 50.2 | Low | 168 Ų | 168 | 127.7 Ų | 127.7 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | cis | -148.9 | 124.1 | 1.2 | -77.2 | -53.8 | 0 | 0 | 0 | 108 | | |
| 118 | S | 50.9 | Low | 50.4 | Low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -100.7 | 110.7 | 168.4 | 52.3 | 0 | 0 | 0 | 0 | 109 | S120 | S118-S120 PolarHBondContact O-N 3.32Š|
| 119 | N | 47 | Very low | 50.6 | Low | 167 Ų | 167 | 125.3 Ų | 125.3 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | trans | -75.2 | 78.7 | 162.9 | -73.4 | -15.8 | 0 | 0 | 0 | 108.3 | | |
| 120 | S | 48.6 | Very low | 50.9 | Low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | -97.9 | 91.8 | 163.8 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | S118 V122 | S118-S120 PolarHBondContact O-N 3.32Å; S120-V122 VanDerWaalsContact C-N 3.29Å; S120-V122 PolarHBondContact O-N 3.46Å |
| 121 | L | 48.6 | Very low | 51.1 | Low | 165 Ų | 165 | 121.1 Ų | 121.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | -75.8 | 90.6 | 167.7 | -82.1 | 163.6 | 0 | 0 | 0 | 107.4 | S123 | L121-S123 PolarHBondContact O-N 3.25Š|
| 122 | V | 50.7 | Low | 51.6 | Low | 104 Ų | 104 | 124.3 Ų | 124.3 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | | | trans | -60.7 | 95.8 | 152.4 | 179.9 | 0 | 0 | 0 | 0 | 105.6 | S120 N124 | S120-V122 VanDerWaalsContact C-N 3.29Å; S120-V122 PolarHBondContact O-N 3.46Å; V122-N124 VanDerWaalsContact C-N 3.26Å; V122-N124 PolarHBondContact O-N 3.41Å |
| 123 | S | 48 | Very low | 52 | Low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | -70.3 | 94.7 | 166.6 | 61.8 | 0 | 0 | 0 | 0 | 106.8 | L121 L125 | L121-S123 PolarHBondContact O-N 3.25Å; S123-L125 PolarHBondContact O-N 3.02Å |
| 124 | N | 51.5 | Low | 52.1 | Low | 135 Ų | 135 | 125 Ų | 125 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | | | trans | -63 | 93.5 | 159.5 | -70.4 | -34.9 | 0 | 0 | 0 | 106.2 | V122 T126 | V122-N124 VanDerWaalsContact C-N 3.26Å; V122-N124 PolarHBondContact O-N 3.41Å; N124-T126 PolarHBondContact O-N 2.8Å |
| 125 | L | 49.8 | Very low | 52.5 | Low | 163 Ų | 163 | 126.1 Ų | 126.1 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | -69.3 | 80.4 | 171.8 | -169 | 70.5 | 0 | 0 | 0 | 107.2 | S123 T127 | S123-L125 PolarHBondContact O-N 3.02Å; L125-T127 PolarHBondContact O-N 2.95Å |
| 126 | T | 53.1 | Low | 53.2 | Low | 121 Ų | 121 | 126.9 Ų | 126.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | trans | -71.1 | 113.4 | 171 | -66.5 | 0 | 0 | 0 | 0 | 108 | N124 | N124-T126 PolarHBondContact O-N 2.8Š|
| 127 | T | 55.3 | Low | 54 | Low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -48 | 130.1 | 168.2 | -26.5 | 0 | 0 | 0 | 0 | 109.1 | L125 | L125-T127 PolarHBondContact O-N 2.95Š|
| 128 | P | 57.5 | Low | 54.8 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 136.4 | 176.7 | 23.8 | -31.7 | 0 | 0 | 0 | 108.7 | S130 F135 | P128-S130 PolarHBondContact O-N 2.79Å; P128-S130 VanDerWaalsContact O-N 3.13Å; P128-F135 HydrophobicContact CB-CE1 3.98Å; P128-F135 HydrophobicContact CB-CZ 3.69Å |
| 129 | P | 56.9 | Low | 55.5 | Low | 88 Ų | 88 | 125.4 Ų | 125.4 | 57% | 0.571 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 122.9 | 178.4 | 22.6 | -31.1 | 0 | 0 | 0 | 109.1 | S131 F135 | P129-S131 PolarHBondContact O-N 3.15Å; P129-F135 HydrophobicContact CG-CZ 4.24Å |
| 130 | S | 53.8 | Low | 56.4 | Low | 133 Ų | 133 | 121.2 Ų | 121.2 | 93% | 0.93 | 71% | 0.708 | S | S | * | * | | | trans | -64.1 | 81 | 166.6 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | P128 | P128-S130 PolarHBondContact O-N 2.79Å; P128-S130 VanDerWaalsContact O-N 3.13Å |
| 131 | S | 56.1 | Low | 57.2 | Low | 64 Ų | 64 | 123.2 Ų | 123.2 | 45% | 0.448 | 72% | 0.722 | S | S | . | * | | | trans | -140.2 | 132.2 | 169.4 | 90.5 | 0 | 0 | 0 | 0 | 108.4 | P129 K133 | P129-S131 PolarHBondContact O-N 3.15Å; S131-K133 PolarHBondContact O-N 3.29Å |
| 132 | N | 58.6 | Low | 58.2 | Low | 183 Ų | 183 | 119.2 Ų | 119.2 | 98% | 0.979 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -65.2 | 34.3 | -178.6 | -80.1 | -38.2 | 0 | 0 | 0 | 114.2 | | |
| 133 | K | 57.7 | Low | 58.6 | Low | 166 Ų | 166 | 117.6 Ų | 117.6 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -106.9 | 129.4 | 175.3 | -72.9 | -170.2 | 177.2 | -170.9 | 0 | 109.3 | S131 F135 | S131-K133 PolarHBondContact O-N 3.29Å; K133-F135 PolarHBondContact O-N 3.41Å; K133-F135 VanDerWaalsContact O-N 3.07Å |
| 134 | A | 57 | Low | 59.3 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | | | trans | -47.4 | 116 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F136 | A134-F136 PolarHBondContact O-N 3.21Å; A134-F136 VanDerWaalsContact O-N 3.17Å |
| 135 | F | 56.6 | Low | 59.9 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | | | trans | -63.3 | 115.4 | 173.3 | -86.7 | -95.7 | 0 | 0 | 0 | 108.8 | P128 P129 K133 | P128-F135 HydrophobicContact CB-CE1 3.98Å; P128-F135 HydrophobicContact CB-CZ 3.69Å; P129-F135 HydrophobicContact CG-CZ 4.24Å; K133-F135 PolarHBondContact O-N 3.41Å; K133-F135 VanDerWaalsContact O-N 3.07Å |
| 136 | F | 62.3 | Low | 60.9 | Low | 181 Ų | 181 | 118.9 Ų | 118.9 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | trans | -65.1 | 133.8 | 160.4 | -66.2 | -83.4 | 0 | 0 | 0 | 107.4 | A134 V138 | A134-F136 PolarHBondContact O-N 3.21Å; A134-F136 VanDerWaalsContact O-N 3.17Å; F136-V138 PolarHBondContact O-N 2.78Å |
| 137 | P | 67.8 | Low | 61.1 | Low | 123 Ų | 123 | 117 Ų | 117 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | | | trans | -62.7 | 107.7 | 179 | 24.7 | -31.7 | 0 | 0 | 0 | 108.7 | T139 | P137-T139 PolarHBondContact O-N 2.83Å; P137-T139 VanDerWaalsContact O-N 3.07Å |
| 138 | V | 64.2 | Low | 61.5 | Low | 130 Ų | 130 | 117.2 Ų | 117.2 | 79% | 0.788 | 70% | 0.7 | S | S | * | * | | | trans | -58.5 | 109.7 | 168.2 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | F136 | F136-V138 PolarHBondContact O-N 2.78Š|
| 139 | T | 64.4 | Low | 61.5 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 56% | 0.558 | 69% | 0.685 | S | S | * | * | | | trans | -59.4 | 131 | 172 | 36.2 | 0 | 0 | 0 | 0 | 108.9 | P137 R145 | P137-T139 PolarHBondContact O-N 2.83Å; P137-T139 VanDerWaalsContact O-N 3.07Å; T139-R145 HydrophobicContact CG2-CG 4.48Å |
| 140 | P | 65.1 | Low | 62 | Low | 78 Ų | 78 | 121 Ų | 121 | 51% | 0.506 | 70% | 0.697 | S | S | . | * | | | trans | -61.2 | 144.8 | 175.6 | 26.5 | -33.4 | 0 | 0 | 0 | 109.9 | S142 G143 | P140-S142 PolarHBondContact O-N 3.22Å; P140-G143 PolarHBondContact O-N 3.14Å |
| 141 | S | 65.9 | Low | 62.6 | Low | 135 Ų | 135 | 118.5 Ų | 118.5 | 94% | 0.944 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -11.8 | 178.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | G143 | S141-G143 PolarHBondContact O-N 3.04Å; S141-G143 VanDerWaalsContact O-N 3.08Å |
| 142 | S | 70.1 | Confident | 62.9 | Low | 82 Ų | 82 | 125.4 Ų | 125.4 | 57% | 0.573 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -2.8 | 178.6 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | P140 L144 | P140-S142 PolarHBondContact O-N 3.22Å; S142-L144 PolarHBondContact O-N 2.98Å |
| 143 | G | 58.4 | Low | 63.2 | Low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | | | trans | 67.5 | -5.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P140 S141 R145 | P140-G143 PolarHBondContact O-N 3.14Å; S141-G143 PolarHBondContact O-N 3.04Å; S141-G143 VanDerWaalsContact O-N 3.08Å; G143-R145 VanDerWaalsContact C-N 3.32Å; G143-R145 PolarHBondContact O-N 2.84Å |
| 144 | L | 62.8 | Low | 63.7 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | | | trans | -81.6 | 81.9 | -179.9 | -133.9 | 117.6 | 0 | 0 | 0 | 109.1 | S142 L146 | S142-L144 PolarHBondContact O-N 2.98Å; L144-L146 PolarHBondContact O-N 2.91Å; L144-L146 VanDerWaalsContact O-N 3.14Å |
| 145 | R | 64.9 | Low | 64.2 | Low | 168 Ų | 168 | 129 Ų | 129 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | | | trans | -76.1 | 100.2 | 173.8 | -160.6 | 167.7 | 168.9 | 169.5 | 0.2 | 107.1 | T139 G143 G147 | T139-R145 HydrophobicContact CG2-CG 4.48Å; G143-R145 VanDerWaalsContact C-N 3.32Å; G143-R145 PolarHBondContact O-N 2.84Å; R145-G147 PolarHBondContact O-N 3.13Å; R145-G147 VanDerWaalsContact O-N 3.13Å |
| 146 | L | 70 | Confident | 64.8 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | | | trans | -46.7 | 126.1 | 169 | -63.9 | 178.1 | 0 | 0 | 0 | 106.9 | L144 L148 | L144-L146 PolarHBondContact O-N 2.91Å; L144-L146 VanDerWaalsContact O-N 3.14Å; L146-L148 HydrophobicContact CB-CG 4.47Å; L146-L148 PolarHBondContact O-N 3.5Å |
| 147 | G | 57.7 | Low | 65.2 | Low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | | | trans | -66.8 | 46 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R145 S149 | R145-G147 PolarHBondContact O-N 3.13Å; R145-G147 VanDerWaalsContact O-N 3.13Å; G147-S149 PolarHBondContact O-N 3.25Å |
| 148 | L | 63.7 | Low | 65.2 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | | | trans | -68.3 | 118.3 | 168.7 | -58.2 | -177.1 | 0 | 0 | 0 | 107.2 | L146 R150 | L146-L148 HydrophobicContact CB-CG 4.47Å; L146-L148 PolarHBondContact O-N 3.5Å; L148-R150 PolarHBondContact O-N 3.1Å |
| 149 | S | 58.5 | Low | 65.7 | Low | 37 Ų | 37 | 123.4 Ų | 123.4 | 26% | 0.259 | 67% | 0.666 | S | S | . | * | | | trans | -48.5 | 133.5 | 177.8 | 159.8 | 0 | 0 | 0 | 0 | 110.7 | G147 T151 R153 | G147-S149 PolarHBondContact O-N 3.25Å; S149-T151 CarbonylContact C-O 3.37Å; S149-T151 VanDerWaalsContact CB-O 3.3Å; S149-T151 WeakPolarHBondContact CB-O 3.3Å; S149-T151 CarbonylContact O-C 3.43Å; S149-T151 PolarHBondContact O-N 3.14Å; S149-T151 PolarHBondContact OG-N 3.04Å; S149-T151 PolarHBondContact OG-O 2.89Å; S149-T151 PolarHBondContact OG-OG1 3.23Å; S149-R153 WeakPolarHBondContact CB-O 3.31Å |
| 150 | R | 65.9 | Low | 66.1 | Low | 220 Ų | 220 | 125.6 Ų | 125.6 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -60.8 | -28.4 | 175.8 | -64.4 | -179 | -178.2 | -178.6 | 0.5 | 112.3 | L148 | L148-R150 PolarHBondContact O-N 3.1Š|
| 151 | T | 66.2 | Low | 66.2 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 49% | 0.491 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -80.1 | 123.4 | 164.3 | 70.5 | 0 | 0 | 0 | 0 | 105.9 | S149 R153 | S149-T151 CarbonylContact C-O 3.37Å; S149-T151 VanDerWaalsContact CB-O 3.3Å; S149-T151 WeakPolarHBondContact CB-O 3.3Å; S149-T151 CarbonylContact O-C 3.43Å; S149-T151 PolarHBondContact O-N 3.14Å; S149-T151 PolarHBondContact OG-N 3.04Å; S149-T151 PolarHBondContact OG-O 2.89Å; S149-T151 PolarHBondContact OG-OG1 3.23Å; T151-R153 PolarHBondContact O-N 3.13Å |
| 152 | K | 63.2 | Low | 66.3 | Low | 208 Ų | 208 | 130.1 Ų | 130.1 | 90% | 0.904 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -57.4 | 14.8 | -176 | -61.5 | -175.8 | 177.5 | -176.9 | 0 | 115.9 | L154 | K152-L154 PolarHBondContact O-N 3.4Š|
| 153 | R | 65.8 | Low | 66.1 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | | | trans | -74.7 | 104.2 | 167.9 | -67.9 | -175.5 | 170.7 | 170.6 | -2.1 | 108.9 | S149 T151 R155 | S149-R153 WeakPolarHBondContact CB-O 3.31Å; T151-R153 PolarHBondContact O-N 3.13Å; R153-R155 PolarHBondContact O-N 3.16Å |
| 154 | L | 66.9 | Low | 66.4 | Low | 128 Ų | 128 | 135.1 Ų | 135.1 | 67% | 0.67 | 70% | 0.695 | S | S | * | * | | | trans | -57.3 | 109.3 | 163.2 | -63.6 | 170.9 | 0 | 0 | 0 | 107.4 | K152 | K152-L154 PolarHBondContact O-N 3.4Š|
| 155 | R | 67.1 | Low | 66.6 | Low | 190 Ų | 190 | 135.7 Ų | 135.7 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | | | trans | -90.9 | 130.3 | 165.3 | -66.8 | -171.8 | -165.8 | 142.1 | 2.1 | 106.7 | R153 L157 | R153-R155 PolarHBondContact O-N 3.16Å; R155-L157 PolarHBondContact O-N 3.1Å |
| 156 | T | 70.8 | Confident | 66.7 | Low | 82 Ų | 82 | 133.9 Ų | 133.9 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | | | trans | -62.3 | 135.3 | 171.3 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | H158 V161 | T156-H158 PolarHBondContact O-N 3.4Å; T156-V161 WeakPolarHBondContact CB-O 3.34Å; T156-V161 VanDerWaalsContact CG2-O 3.29Å; T156-V161 WeakPolarHBondContact CG2-O 3.33Å |
| 157 | L | 70 | Confident | 66.5 | Low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -66.4 | -27.9 | 178.1 | -76.7 | 159.6 | 0 | 0 | 0 | 111.5 | R155 | R155-L157 PolarHBondContact O-N 3.1Š|
| 158 | H | 68.3 | Low | 67 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 53% | 0.528 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -148.7 | 151.3 | 177.9 | -168.2 | -103.7 | 0 | 0 | 0 | 109.5 | T156 N160 V161 | T156-H158 PolarHBondContact O-N 3.4Å; H158-N160 PolarHBondContact O-N 3.2Å; H158-V161 HydrophobicContact CB-CB 4.39Å; H158-V161 HydrophobicContact CB-CG2 4.06Å; H158-V161 PolarHBondContact O-N 3.31Å |
| 159 | A | 74.2 | Confident | 67.2 | Low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -27.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 160 | N | 73 | Confident | 67.8 | Low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -1.4 | -176.3 | -59.3 | -19.3 | 0 | 0 | 0 | 113.9 | H158 | H158-N160 PolarHBondContact O-N 3.2Š|
| 161 | V | 66.8 | Low | 67.9 | Low | 76 Ų | 76 | 139.5 Ų | 139.5 | 46% | 0.461 | 72% | 0.718 | S | S | . | * | | | trans | -106.4 | 102.2 | -180 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | T156 H158 | T156-V161 WeakPolarHBondContact CB-O 3.34Å; T156-V161 VanDerWaalsContact CG2-O 3.29Å; T156-V161 WeakPolarHBondContact CG2-O 3.33Å; H158-V161 HydrophobicContact CB-CB 4.39Å; H158-V161 HydrophobicContact CB-CG2 4.06Å; H158-V161 PolarHBondContact O-N 3.31Å |
| 162 | R | 68.9 | Low | 68 | Low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | | | trans | -83.9 | 126.6 | 170.5 | -63.5 | -178.5 | -176.4 | 178.2 | 1.3 | 107.9 | | |
| 163 | I | 65.3 | Low | 68.4 | Low | 89 Ų | 89 | 138.8 Ų | 138.8 | 46% | 0.456 | 72% | 0.722 | S | S | . | * | | | trans | -88.5 | 115.9 | 167 | -54.6 | 173.4 | 0 | 0 | 0 | 104.7 | | |
| 164 | A | 64.3 | Low | 68.7 | Low | 168 Ų | 168 | 133.2 Ų | 133.2 | 100% | 1.388 | 72% | 0.719 | S | S | * | * | | | trans | -83.9 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |