| 1 | M | 68.9 | Low | 64.5 | Low | 224 Ų | 224 | 140.9 Ų | 140.9 | 100% | 1.103 | 75% | 0.747 | S | S | * | * | | | | 0 | 114.2 | 0 | -179.4 | 155.7 | 66.6 | 0 | 0 | 107.5 | | |
| 2 | D | 68.8 | Low | 64.2 | Low | 93 Ų | 93 | 138.8 Ų | 138.8 | 50% | 0.497 | 75% | 0.748 | S | S | . | * | | | trans | -76.3 | 123.2 | -174.8 | -168.7 | -33.5 | 0 | 0 | 0 | 110.6 | L4 Q5 | D2-L4 VanDerWaalsContact OD1-CB 3.31Å; D2-L4 PolarHBondContact O-N 3.29Å; D2-L4 PolarHBondContact OD1-N 3.33Å; D2-L4 WeakPolarHBondContact OD1-CB 3.36Å; D2-Q5 HydrophobicContact CB-CG 4.21Å; D2-Q5 WeakPolarHBondContact O-CB 3.35Å; D2-Q5 PolarHBondContact O-N 3.41Å |
| 3 | P | 64.9 | Low | 63.9 | Low | 98 Ų | 98 | 136.9 Ų | 136.9 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -66.3 | -16.3 | -179.9 | 26.1 | -32.8 | 0 | 0 | 0 | 113.8 | Q5 K6 | P3-Q5 PolarHBondContact O-N 3.17Å; P3-K6 WeakPolarHBondContact O-CB 3.45Å; P3-K6 PolarHBondContact O-N 3.13Å |
| 4 | L | 63.7 | Low | 63.8 | Low | 147 Ų | 147 | 140.6 Ų | 140.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -74.2 | -15.2 | 176.1 | -61.8 | 174.7 | 0 | 0 | 0 | 112.9 | D2 K6 | D2-L4 VanDerWaalsContact OD1-CB 3.31Å; D2-L4 PolarHBondContact O-N 3.29Å; D2-L4 PolarHBondContact OD1-N 3.33Å; D2-L4 WeakPolarHBondContact OD1-CB 3.36Å; L4-K6 PolarHBondContact O-N 3.07Å |
| 5 | Q | 60.2 | Low | 63.6 | Low | 154 Ų | 154 | 137.7 Ų | 137.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -73.9 | -10.5 | 169.8 | -64.6 | -105.4 | -30 | 0 | 0 | 112.7 | D2 P3 R7 | D2-Q5 HydrophobicContact CB-CG 4.21Å; D2-Q5 WeakPolarHBondContact O-CB 3.35Å; D2-Q5 PolarHBondContact O-N 3.41Å; P3-Q5 PolarHBondContact O-N 3.17Å; Q5-R7 PolarHBondContact O-N 3.13Å |
| 6 | K | 63 | Low | 63.6 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -75 | 0.2 | 178.4 | -70.6 | -171.2 | 174.9 | -175.7 | 0 | 114.2 | P3 L4 | P3-K6 WeakPolarHBondContact O-CB 3.45Å; P3-K6 PolarHBondContact O-N 3.13Å; L4-K6 PolarHBondContact O-N 3.07Å |
| 7 | R | 64.9 | Low | 63.5 | Low | 218 Ų | 218 | 135.1 Ų | 135.1 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | | | trans | -141.6 | 84.4 | 172.7 | -94.9 | -174.1 | -87.7 | 173.3 | -6.4 | 111 | Q5 P9 | Q5-R7 PolarHBondContact O-N 3.13Å; R7-P9 WeakPolarHBondContact O-CD 3.36Å |
| 8 | N | 61.5 | Low | 63.6 | Low | 137 Ų | 137 | 137.4 Ų | 137.4 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -93.7 | 103.1 | 147.1 | -81.7 | -12.7 | 0 | 0 | 0 | 107.8 | A10 | N8-A10 PolarHBondContact O-N 2.92Š|
| 9 | P | 66.8 | Low | 63.1 | Low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | | | trans | -81.9 | 69.3 | 171.1 | 34.9 | -31.6 | 0 | 0 | 0 | 108.3 | R7 | R7-P9 WeakPolarHBondContact O-CD 3.36Š|
| 10 | A | 66.9 | Low | 63 | Low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -130.3 | 76 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N8 | N8-A10 PolarHBondContact O-N 2.92Š|
| 11 | S | 60.3 | Low | 62.9 | Low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | | -162.9 | 113.2 | 126.2 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | S13 | S11-S13 VanDerWaalsContact C-N 3.26Å; S11-S13 PolarHBondContact O-N 2.96Å |
| 12 | P | 60.9 | Low | 62.4 | Low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -61.4 | 102 | 152.6 | 26.1 | -27.1 | 0 | 0 | 0 | 105.7 | K14 | P12-K14 VanDerWaalsContact C-N 3.28Å; P12-K14 PolarHBondContact O-N 3.05Å |
| 13 | S | 59.7 | Low | 62 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -62.2 | 102.9 | 167.7 | -80.7 | 0 | 0 | 0 | 0 | 106.2 | S11 S15 | S11-S13 VanDerWaalsContact C-N 3.26Å; S11-S13 PolarHBondContact O-N 2.96Å; S13-S15 PolarHBondContact O-N 2.81Å |
| 14 | K | 62.6 | Low | 61.9 | Low | 189 Ų | 189 | 131.2 Ų | 131.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | -46.3 | 129.3 | -179.8 | -61 | 179.9 | 179.3 | 179.4 | 0 | 108.6 | P12 | P12-K14 VanDerWaalsContact C-N 3.28Å; P12-K14 PolarHBondContact O-N 3.05Å |
| 15 | S | 60.5 | Low | 61.9 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | 29.2 | 116.3 | 149.6 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | S13 P17 | S13-S15 PolarHBondContact O-N 2.81Å; S15-P17 WeakPolarHBondContact O-CD 3.31Å |
| 16 | S | 63.8 | Low | 62.1 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -45.3 | 120.3 | 148.4 | -56.3 | 0 | 0 | 0 | 0 | 107.3 | M18 | S16-M18 PolarHBondContact O-N 2.82Š|
| 17 | P | 61.9 | Low | 62.7 | Low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -62.3 | 111.1 | 170.8 | 25.1 | -29.8 | 0 | 0 | 0 | 105.4 | S15 T19 | S15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-T19 PolarHBondContact O-N 3.1Å; P17-T19 VanDerWaalsContact O-N 3.1Å |
| 18 | M | 65.1 | Low | 63.3 | Low | 176 Ų | 176 | 123.3 Ų | 123.3 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | trans | -53.6 | 117.1 | 163.5 | -179.8 | 165.2 | 163.6 | 0 | 0 | 106 | S16 A20 | S16-M18 PolarHBondContact O-N 2.82Å; M18-A20 VanDerWaalsContact C-N 3.28Å; M18-A20 PolarHBondContact O-N 2.91Å |
| 19 | T | 54.3 | Low | 64 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | -64.7 | 90.9 | 177.4 | -49.8 | 0 | 0 | 0 | 0 | 108.1 | P17 A21 | P17-T19 PolarHBondContact O-N 3.1Å; P17-T19 VanDerWaalsContact O-N 3.1Å; T19-A21 PolarHBondContact O-N 2.84Å |
| 20 | A | 61 | Low | 64.6 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -80.3 | 68.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | M18 | M18-A20 VanDerWaalsContact C-N 3.28Å; M18-A20 PolarHBondContact O-N 2.91Å |
| 21 | A | 62.3 | Low | 65.3 | Low | 84 Ų | 84 | 121.9 Ų | 121.9 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | -165.3 | 32.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116 | T19 | T19-A21 PolarHBondContact O-N 2.84Š|
| 22 | E | 57.6 | Low | 66.3 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -144.4 | 113.9 | 170.6 | -77.2 | -174.7 | 103 | 0 | 0 | 107.2 | | |
| 23 | T | 59.4 | Low | 67.2 | Low | 100 Ų | 100 | 124.8 Ų | 124.8 | 61% | 0.613 | 76% | 0.756 | S | S | * | * | | | cis | -159.6 | 111.6 | 8.2 | 44.2 | 0 | 0 | 0 | 0 | 105.5 | Q25 | T23-Q25 PolarHBondContact O-N 3.36Š|
| 24 | S | 63.9 | Low | 68.2 | Low | 131 Ų | 131 | 124.7 Ų | 124.7 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | trans | -75.3 | 72 | 150.8 | -67.9 | 0 | 0 | 0 | 0 | 106.2 | E26 | S24-E26 PolarHBondContact O-N 2.93Š|
| 25 | Q | 63.1 | Low | 69.1 | Low | 169 Ų | 169 | 125.2 Ų | 125.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -69.6 | 85.5 | 151.9 | -81.7 | -166.9 | -1.5 | 0 | 0 | 104.4 | T23 G27 | T23-Q25 PolarHBondContact O-N 3.36Å; Q25-G27 PolarHBondContact O-N 3.03Å |
| 26 | E | 65.8 | Low | 70 | Confident | 185 Ų | 185 | 125.5 Ų | 125.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | -61.2 | 88.6 | 151.7 | -167.2 | 169.9 | 106.7 | 0 | 0 | 104.4 | S24 | S24-E26 PolarHBondContact O-N 2.93Š|
| 27 | G | 74.6 | Confident | 70.6 | Confident | 41 Ų | 41 | 129.5 Ų | 129.5 | 42% | 0.423 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 165.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q25 A29 | Q25-G27 PolarHBondContact O-N 3.03Å; G27-A29 PolarHBondContact O-N 3.19Å; G27-A29 VanDerWaalsContact O-N 3.13Å |
| 28 | P | 76.7 | Confident | 71 | Confident | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -47.7 | 129.2 | 178.3 | 20.1 | -31.2 | 0 | 0 | 0 | 109.6 | | |
| 29 | A | 77.4 | Confident | 71.3 | Confident | 78 Ų | 78 | 134.7 Ų | 134.7 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 139.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G27 S31 | G27-A29 PolarHBondContact O-N 3.19Å; G27-A29 VanDerWaalsContact O-N 3.13Å; A29-S31 VanDerWaalsContact O-N 3.07Å; A29-S31 PolarHBondContact O-N 3.39Å |
| 30 | P | 78.3 | Confident | 72.2 | Confident | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.7 | -179.1 | 20.8 | -30 | 0 | 0 | 0 | 109.2 | Q32 | P30-Q32 PolarHBondContact O-N 3.24Å; P30-Q32 VanDerWaalsContact O-N 3.17Å |
| 31 | S | 82.4 | Confident | 72.8 | Confident | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 123 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | A29 | A29-S31 VanDerWaalsContact O-N 3.07Å; A29-S31 PolarHBondContact O-N 3.39Å |
| 32 | Q | 81.4 | Confident | 73.4 | Confident | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.6 | -179.9 | -66.1 | -139.5 | -67.6 | 0 | 0 | 110.7 | P30 S34 | P30-Q32 PolarHBondContact O-N 3.24Å; P30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-S34 PolarHBondContact O-N 3.24Å |
| 33 | P | 80.6 | Confident | 74.4 | Confident | 88 Ų | 88 | 139.2 Ų | 139.2 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.3 | 174.2 | 24 | -31 | 0 | 0 | 0 | 110 | Y35 | P33-Y35 HydrophobicContact CB-CE2 4.07Å; P33-Y35 HydrophobicContact CG-CD2 4.37Å; P33-Y35 HydrophobicContact CG-CE2 3.67Å; P33-Y35 PolarHBondContact O-N 3.22Å; P33-Y35 VanDerWaalsContact O-N 3.13Å |
| 34 | S | 80.7 | Confident | 75.4 | Confident | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -74.7 | 98.7 | 173.3 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | Q32 S36 | Q32-S34 PolarHBondContact O-N 3.24Å; S34-S36 PolarHBondContact O-N 3.43Å |
| 35 | Y | 79.7 | Confident | 76.2 | Confident | 200 Ų | 200 | 142.6 Ų | 142.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -79.7 | 103.1 | 166.9 | -70.1 | -80.5 | 0 | 0 | 0 | 108.3 | P33 E37 | P33-Y35 HydrophobicContact CB-CE2 4.07Å; P33-Y35 HydrophobicContact CG-CD2 4.37Å; P33-Y35 HydrophobicContact CG-CE2 3.67Å; P33-Y35 PolarHBondContact O-N 3.22Å; P33-Y35 VanDerWaalsContact O-N 3.13Å; Y35-E37 PolarHBondContact O-N 2.88Å |
| 36 | S | 80.3 | Confident | 77.2 | Confident | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -76.5 | 109.7 | 163.2 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | S34 | S34-S36 PolarHBondContact O-N 3.43Š|
| 37 | E | 75.9 | Confident | 78.2 | Confident | 197 Ų | 197 | 136.8 Ų | 136.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -70.7 | 128 | 163.5 | -71.6 | -167.8 | 113 | 0 | 0 | 108.4 | Y35 | Y35-E37 PolarHBondContact O-N 2.88Š|
| 38 | Q | 70.1 | Confident | 78.5 | Confident | 268 Ų | 268 | 145.5 Ų | 145.5 | 100% | 1.252 | 82% | 0.819 | S | S | * | * | | | trans | -95.7 | 0 | 169.9 | -67.6 | -165.8 | -84.5 | 0 | 0 | 110.1 | | |