| 1 | M | 47.8 | Very low | 57.5 | Low | 228 Ų | 228 | 157.5 Ų | 157.5 | 100% | 1.123 | 83% | 0.826 | S | S | * | * | | | | 0 | 134.4 | 0 | -57.3 | -155 | 84.2 | 0 | 0 | 108.5 | | |
| 2 | P | 55.6 | Low | 57 | Low | 126 Ų | 126 | 151.9 Ų | 151.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 140.9 | -178.3 | 31.2 | -31.3 | 0 | 0 | 0 | 111.4 | | |
| 3 | I | 54 | Low | 56.9 | Low | 162 Ų | 162 | 155.5 Ų | 155.5 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 123.7 | -176.8 | -63.3 | 163 | 0 | 0 | 0 | 109.1 | K5 | I3-K5 PolarHBondContact O-N 3.29Š|
| 4 | L | 66.6 | Low | 57.3 | Low | 169 Ų | 169 | 157.6 Ų | 157.6 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 116.4 | 176.4 | -121.4 | 82.7 | 0 | 0 | 0 | 109.9 | | |
| 5 | K | 65.5 | Low | 57.8 | Low | 195 Ų | 195 | 163.1 Ų | 163.1 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129 | 171.2 | -73.5 | 180 | 164.4 | -178 | 0 | 109.9 | I3 L7 | I3-K5 PolarHBondContact O-N 3.29Å; K5-L7 PolarHBondContact O-N 3.3Å |
| 6 | Q | 60.7 | Low | 58 | Low | 183 Ų | 183 | 159.8 Ų | 159.8 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -45.4 | 120.3 | 175.5 | -102.9 | 163.6 | -79 | 0 | 0 | 112.9 | | |
| 7 | L | 57.5 | Low | 58.9 | Low | 169 Ų | 169 | 163.2 Ų | 163.2 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -94.2 | 106 | 158.4 | -67.4 | 169.8 | 0 | 0 | 0 | 107.1 | K5 S9 | K5-L7 PolarHBondContact O-N 3.3Å; L7-S9 PolarHBondContact O-N 2.99Å; L7-S9 VanDerWaalsContact O-N 3.07Å |
| 8 | T | 54.2 | Low | 60.1 | Low | 107 Ų | 107 | 160.5 Ų | 160.5 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | trans | -68.5 | 101.6 | 167.1 | 43.3 | 0 | 0 | 0 | 0 | 108.1 | N10 | T8-N10 VanDerWaalsContact C-N 3.29Å; T8-N10 PolarHBondContact O-N 3.08Å |
| 9 | S | 52 | Low | 61.4 | Low | 113 Ų | 113 | 159.5 Ų | 159.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -69.5 | 85.6 | 176 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | L7 Q11 | L7-S9 PolarHBondContact O-N 2.99Å; L7-S9 VanDerWaalsContact O-N 3.07Å; S9-Q11 PolarHBondContact O-N 3.3Å |
| 10 | N | 55.9 | Low | 62.7 | Low | 132 Ų | 132 | 157.3 Ų | 157.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -85 | 73.8 | 167.4 | -72.2 | -20.7 | 0 | 0 | 0 | 109.4 | T8 | T8-N10 VanDerWaalsContact C-N 3.29Å; T8-N10 PolarHBondContact O-N 3.08Å |
| 11 | Q | 62.2 | Low | 64 | Low | 148 Ų | 148 | 152.9 Ų | 152.9 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -161.9 | 100.9 | 155.8 | -79.1 | -48.8 | -67 | 0 | 0 | 109.4 | S9 | S9-Q11 PolarHBondContact O-N 3.3Š|
| 12 | S | 51.6 | Low | 66 | Low | 91 Ų | 91 | 145.8 Ų | 145.8 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -146.7 | 88 | 149.1 | -120.9 | 0 | 0 | 0 | 0 | 108.7 | R14 | S12-R14 PolarHBondContact O-N 2.95Å; S12-R14 VanDerWaalsContact OG-CD 3.31Å; S12-R14 WeakPolarHBondContact OG-CD 3.36Å; S12-R14 VanDerWaalsContact OG-CG 3.24Å; S12-R14 WeakPolarHBondContact OG-CG 3.4Å |
| 13 | K | 55.9 | Low | 67.6 | Low | 198 Ų | 198 | 148.5 Ų | 148.5 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | | | trans | -61.4 | 57.2 | 148.1 | -65.2 | 179.2 | -178.8 | 176.1 | 0 | 108.9 | | |
| 14 | R | 62.9 | Low | 69.5 | Low | 186 Ų | 186 | 146.1 Ų | 146.1 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | | | trans | -73.9 | 123.8 | 159.6 | -69.2 | 173.2 | 85.6 | 177.3 | 7.2 | 102.8 | S12 S16 | S12-R14 PolarHBondContact O-N 2.95Å; S12-R14 VanDerWaalsContact OG-CD 3.31Å; S12-R14 WeakPolarHBondContact OG-CD 3.36Å; S12-R14 VanDerWaalsContact OG-CG 3.24Å; S12-R14 WeakPolarHBondContact OG-CG 3.4Å; R14-S16 PolarHBondContact O-N 3.3Å |
| 15 | R | 64.2 | Low | 70.7 | Confident | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | | | trans | -25.6 | 112.6 | 169.4 | -63.7 | 173.4 | -178.3 | 176.1 | -0.9 | 107.2 | R17 | R15-R17 PolarHBondContact O-N 3.04Š|
| 16 | S | 61.9 | Low | 71.9 | Confident | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | | | trans | -52.4 | 104.6 | 177 | 51.6 | 0 | 0 | 0 | 0 | 104 | R14 V18 | R14-S16 PolarHBondContact O-N 3.3Å; S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 3.17Å |
| 17 | R | 72.4 | Confident | 73.5 | Confident | 219 Ų | 219 | 132.8 Ų | 132.8 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | trans | -55 | 114 | 170.9 | -90.4 | 179 | 157.8 | 143.7 | -6.7 | 101.7 | R15 D19 | R15-R17 PolarHBondContact O-N 3.04Å; R17-D19 PolarHBondContact O-N 3.07Å |
| 18 | V | 80.3 | Confident | 75 | Confident | 114 Ų | 114 | 129.9 Ų | 129.9 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | | | trans | -42.6 | 121.3 | 177.1 | 164.9 | 0 | 0 | 0 | 0 | 105.7 | S16 L20 M24 | S16-V18 VanDerWaalsContact C-N 3.32Å; S16-V18 PolarHBondContact O-N 3.17Å; V18-L20 PolarHBondContact O-N 3.12Å; V18-M24 HydrophobicContact CG1-CE 4.34Å; V18-M24 HydrophobicContact CG1-SD 4.46Å |
| 19 | D | 84.7 | Confident | 76.7 | Confident | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | | | trans | -55.8 | 114.3 | -177.4 | -70.1 | -32.5 | 0 | 0 | 0 | 106.6 | R17 T21 | R17-D19 PolarHBondContact O-N 3.07Å; D19-T21 PolarHBondContact O-N 3.09Å |
| 20 | L | 88 | Confident | 78.6 | Confident | 116 Ų | 116 | 128.6 Ų | 128.6 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | | | trans | -72.3 | 103.7 | -174.3 | -174 | 67 | 0 | 0 | 0 | 107.4 | V18 M24 I25 | V18-L20 PolarHBondContact O-N 3.12Å; L20-M24 HydrophobicContact CD1-CB 3.74Å; L20-M24 HydrophobicContact CD1-CE 3.85Å; L20-M24 HydrophobicContact CD1-SD 4.11Å; L20-I25 HydrophobicContact CD1-CG1 4.43Å; L20-I25 HydrophobicContact CD2-CD1 3.77Å; L20-I25 HydrophobicContact CD2-CG1 3.97Å; L20-I25 HydrophobicContact CG-CD1 4.06Å; L20-I25 HydrophobicContact CG-CG1 4.05Å |
| 21 | T | 89.3 | Confident | 80.2 | Confident | 64 Ų | 64 | 128.2 Ų | 128.2 | 39% | 0.393 | 68% | 0.682 | S | S | . | * | | | trans | -77.5 | 153 | 176.4 | 67.4 | 0 | 0 | 0 | 0 | 109.7 | D19 E23 M24 | D19-T21 PolarHBondContact O-N 3.09Å; T21-E23 PolarHBondContact O-N 3.1Å; T21-E23 VanDerWaalsContact O-N 3.16Å; T21-M24 WeakPolarHBondContact O-CB 3.44Å; T21-M24 PolarHBondContact O-N 3.43Å; T21-M24 WeakPolarHBondContact OG1-CG 3.38Å |
| 22 | A | 90.9 | Very high | 81.4 | Confident | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -58.7 | -29.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M24 I25 | A22-M24 PolarHBondContact O-N 2.98Å; A22-I25 CarbonylContact O-C 3.36Å; A22-I25 PolarHBondContact O-N 3.17Å |
| 23 | E | 89.3 | Confident | 83.3 | Confident | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -64.6 | -27.6 | 177.2 | -52.4 | 171.4 | -137.5 | 0 | 0 | 112.9 | T21 I25 | T21-E23 PolarHBondContact O-N 3.1Å; T21-E23 VanDerWaalsContact O-N 3.16Å; E23-I25 PolarHBondContact O-N 3.09Å |
| 24 | M | 94.3 | Very high | 84.9 | Confident | 111 Ų | 111 | 133 Ų | 133 | 55% | 0.547 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -78.3 | -8.2 | 175 | -61.2 | 173.2 | 66 | 0 | 0 | 112.2 | V18 L20 T21 A22 | V18-M24 HydrophobicContact CG1-CE 4.34Å; V18-M24 HydrophobicContact CG1-SD 4.46Å; L20-M24 HydrophobicContact CD1-CB 3.74Å; L20-M24 HydrophobicContact CD1-CE 3.85Å; L20-M24 HydrophobicContact CD1-SD 4.11Å; T21-M24 WeakPolarHBondContact O-CB 3.44Å; T21-M24 PolarHBondContact O-N 3.43Å; T21-M24 WeakPolarHBondContact OG1-CG 3.38Å; A22-M24 PolarHBondContact O-N 2.98Å |
| 25 | I | 90.8 | Very high | 86 | Confident | 103 Ų | 103 | 130.1 Ų | 130.1 | 53% | 0.528 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -109 | 106.3 | 178.4 | -53.9 | 174.2 | 0 | 0 | 0 | 107.5 | L20 A22 E23 | L20-I25 HydrophobicContact CD1-CG1 4.43Å; L20-I25 HydrophobicContact CD2-CD1 3.77Å; L20-I25 HydrophobicContact CD2-CG1 3.97Å; L20-I25 HydrophobicContact CG-CD1 4.06Å; L20-I25 HydrophobicContact CG-CG1 4.05Å; A22-I25 CarbonylContact O-C 3.36Å; A22-I25 PolarHBondContact O-N 3.17Å; E23-I25 PolarHBondContact O-N 3.09Å |
| 26 | S | 91.9 | Very high | 86.6 | Confident | 87 Ų | 87 | 124.4 Ų | 124.4 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.9 | 174.2 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 27 | A | 92.7 | Very high | 87.3 | Confident | 78 Ų | 78 | 124.8 Ų | 124.8 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 156.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L29 | A27-L29 WeakPolarHBondContact O-CD1 3.38Å; A27-L29 PolarHBondContact O-N 3.06Å |
| 28 | P | 90.1 | Very high | 87.5 | Confident | 107 Ų | 107 | 117.8 Ų | 117.8 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.2 | 176.6 | -25.5 | 34.1 | 0 | 0 | 0 | 111.5 | G30 F32 | P28-G30 PolarHBondContact O-N 2.77Å; P28-G30 VanDerWaalsContact O-N 3.08Å; P28-F32 HydrophobicContact CB-CE2 4.46Å; P28-F32 HydrophobicContact CB-CZ 4.38Å |
| 29 | L | 89.4 | Confident | 87 | Confident | 138 Ų | 138 | 113 Ų | 113 | 72% | 0.723 | 62% | 0.62 | S | S | * | * | | | trans | -79.6 | 11 | -170.8 | -73.5 | 81.7 | 0 | 0 | 0 | 113.4 | A27 D31 | A27-L29 WeakPolarHBondContact O-CD1 3.38Å; A27-L29 PolarHBondContact O-N 3.06Å; L29-D31 PolarHBondContact O-N 3.04Å |
| 30 | G | 91.1 | Very high | 86.2 | Confident | 55 Ų | 55 | 117.9 Ų | 117.9 | 57% | 0.567 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 68.1 | 18.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P28 F32 | P28-G30 PolarHBondContact O-N 2.77Å; P28-G30 VanDerWaalsContact O-N 3.08Å; G30-F32 PolarHBondContact O-N 2.88Å |
| 31 | D | 90.7 | Very high | 85 | Confident | 124 Ų | 124 | 116.2 Ų | 116.2 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | | | trans | -76.2 | 34.1 | 175.8 | 68.2 | -33.7 | 0 | 0 | 0 | 112.7 | L29 R33 | L29-D31 PolarHBondContact O-N 3.04Å; D31-R33 PolarHBondContact O-N 3.26Å |
| 32 | F | 87.9 | Confident | 83.8 | Confident | 165 Ų | 165 | 115 Ų | 115 | 72% | 0.724 | 64% | 0.638 | S | S | * | * | | | trans | -69.3 | 102.9 | 179.8 | -69.9 | -78.9 | 0 | 0 | 0 | 110.3 | P28 G30 | P28-F32 HydrophobicContact CB-CE2 4.46Å; P28-F32 HydrophobicContact CB-CZ 4.38Å; G30-F32 PolarHBondContact O-N 2.88Å |
| 33 | R | 90.9 | Very high | 82.6 | Confident | 183 Ų | 183 | 114.6 Ų | 114.6 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | | | trans | -105.9 | 125.1 | 172.6 | -63.1 | 176.2 | 66.3 | -131.2 | -0.8 | 107.7 | D31 T35 | D31-R33 PolarHBondContact O-N 3.26Å; R33-T35 PolarHBondContact O-N 3.28Å; R33-T35 VanDerWaalsContact O-N 3.11Å |
| 34 | H | 89.2 | Confident | 81.3 | Confident | 189 Ų | 189 | 108.2 Ų | 108.2 | 88% | 0.875 | 60% | 0.604 | S | S | * | * | | | trans | -68.5 | 109.2 | 172.8 | -68.7 | 80.3 | 0 | 0 | 0 | 108 | | |
| 35 | T | 85.4 | Confident | 79.8 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 78% | 0.779 | 61% | 0.606 | S | S | * | * | | | trans | -95.9 | -22.2 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | R33 | R33-T35 PolarHBondContact O-N 3.28Å; R33-T35 VanDerWaalsContact O-N 3.11Å |
| 36 | M | 76.7 | Confident | 78.9 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 59% | 0.586 | 61% | 0.609 | S | S | * | * | | | trans | -159 | 147.5 | -170.7 | -167.7 | 168 | -73.7 | 0 | 0 | 111.2 | A44 F45 | M36-A44 HydrophobicContact CG-CB 3.79Å; M36-A44 HydrophobicContact SD-CB 3.49Å; M36-A44 WeakPolarHBondContact SD-CB 3.31Å; M36-F45 HydrophobicContact SD-CE2 3.71Å; M36-F45 HydrophobicContact SD-CZ 4.46Å |
| 37 | H | 78.2 | Confident | 78.2 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | | | trans | -101.2 | 144.6 | 167.2 | -177.8 | 64.6 | 0 | 0 | 0 | 109 | G42 A44 | H37-G42 CarbonylContact C-O 3.59Å; H37-G42 PolarHBondContact CD2-N 3.45Å; H37-G42 PolarHBondContact CD2-O 3.34Å; H37-A44 WeakPolarHBondContact O-CB 3.24Å |
| 38 | V | 75.6 | Confident | 77.2 | Confident | 72 Ų | 72 | 106.4 Ų | 106.4 | 44% | 0.436 | 59% | 0.589 | S | S | . | * | | | trans | -132.9 | 136.6 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | A44 F45 | V38-A44 HydrophobicContact CG2-CB 4.43Å; V38-F45 HydrophobicContact CB-CD2 4.47Å; V38-F45 HydrophobicContact CG1-CB 3.9Å; V38-F45 HydrophobicContact CG1-CD2 3.92Å; V38-F45 HydrophobicContact CG1-CG 4.38Å; V38-F45 HydrophobicContact CG2-CD2 3.69Å; V38-F45 HydrophobicContact CG2-CE2 4.12Å |
| 39 | G | 70.4 | Confident | 76.3 | Confident | 14 Ų | 14 | 104.2 Ų | 104.2 | 14% | 0.144 | 58% | 0.576 | C | S | . | * | S | Bend | trans | 101.6 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G41 G42 D43 | G39-G41 PolarHBondContact O-N 3.01Å; G39-G42 CarbonylContact O-C 3.3Å; G39-G42 VanDerWaalsContact O-C 3.3Å; G39-G42 PolarHBondContact O-N 3.16Å; G39-D43 PolarHBondContact N-OD1 3.02Å; G39-D43 VanDerWaalsContact N-OD1 3.12Å; G39-D43 WeakPolarHBondContact O-CA 3.28Å; G39-D43 PolarHBondContact O-N 2.88Å |
| 40 | R | 66.8 | Low | 75.4 | Confident | 243 Ų | 243 | 104.3 Ų | 104.3 | 92% | 0.917 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 93.5 | -162.7 | -84.2 | -170.4 | 170 | 176.9 | -1.1 | 113.8 | | |
| 41 | G | 64.1 | Low | 74.4 | Confident | 81 Ų | 81 | 106.9 Ų | 106.9 | 84% | 0.835 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -22.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | G39 | G39-G41 PolarHBondContact O-N 3.01Š|
| 42 | G | 62.7 | Low | 73.4 | Confident | 37 Ų | 37 | 105 Ų | 105 | 38% | 0.381 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -171 | 72.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | H37 G39 A44 | H37-G42 CarbonylContact C-O 3.59Å; H37-G42 PolarHBondContact CD2-N 3.45Å; H37-G42 PolarHBondContact CD2-O 3.34Å; G39-G42 CarbonylContact O-C 3.3Å; G39-G42 VanDerWaalsContact O-C 3.3Å; G39-G42 PolarHBondContact O-N 3.16Å; G42-A44 PolarHBondContact O-N 3.02Å |
| 43 | D | 66.8 | Low | 72.2 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | | | trans | -83.8 | 114.2 | -168.5 | -168.7 | 12.7 | 0 | 0 | 0 | 111.5 | G39 F45 | G39-D43 PolarHBondContact N-OD1 3.02Å; G39-D43 VanDerWaalsContact N-OD1 3.12Å; G39-D43 WeakPolarHBondContact O-CA 3.28Å; G39-D43 PolarHBondContact O-N 2.88Å; D43-F45 PolarHBondContact OD1-N 2.71Å |
| 44 | A | 62 | Low | 70.7 | Confident | 48 Ų | 48 | 104.8 Ų | 104.8 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | | | trans | -96.7 | -8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M36 H37 V38 G42 | M36-A44 HydrophobicContact CG-CB 3.79Å; M36-A44 HydrophobicContact SD-CB 3.49Å; M36-A44 WeakPolarHBondContact SD-CB 3.31Å; H37-A44 WeakPolarHBondContact O-CB 3.24Å; V38-A44 HydrophobicContact CG2-CB 4.43Å; G42-A44 PolarHBondContact O-N 3.02Å |
| 45 | F | 61.9 | Low | 69.2 | Low | 134 Ų | 134 | 99.4 Ų | 99.4 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -142.5 | 87 | -172.3 | -73.5 | -87.3 | 0 | 0 | 0 | 113 | M36 V38 D43 | M36-F45 HydrophobicContact SD-CE2 3.71Å; M36-F45 HydrophobicContact SD-CZ 4.46Å; V38-F45 HydrophobicContact CB-CD2 4.47Å; V38-F45 HydrophobicContact CG1-CB 3.9Å; V38-F45 HydrophobicContact CG1-CD2 3.92Å; V38-F45 HydrophobicContact CG1-CG 4.38Å; V38-F45 HydrophobicContact CG2-CD2 3.69Å; V38-F45 HydrophobicContact CG2-CE2 4.12Å; D43-F45 PolarHBondContact OD1-N 2.71Å |
| 46 | G | 73.3 | Confident | 67.8 | Low | 59 Ų | 59 | 97.2 Ų | 97.2 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 48.2 | -161.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | T48 | G46-T48 PolarHBondContact O-N 3.44Š|
| 47 | D | 75.8 | Confident | 66.8 | Low | 118 Ų | 118 | 99.3 Ų | 99.3 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | | | trans | -72.6 | 110.8 | -176.8 | -176.3 | 19.2 | 0 | 0 | 0 | 111.9 | S49 F50 | D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.91Å; D47-S49 WeakPolarHBondContact OD1-CA 3.49Å; D47-S49 WeakPolarHBondContact OD1-CB 3.39Å; D47-S49 PolarHBondContact OD1-N 2.95Å; D47-S49 PolarHBondContact OD1-OG 2.94Å; D47-S49 VanDerWaalsContact OD2-CB 3.27Å; D47-S49 WeakPolarHBondContact OD2-CB 3Å; D47-S49 PolarHBondContact OD2-OG 2.8Å; D47-F50 WeakPolarHBondContact O-CE1 3.28Å |
| 48 | T | 71.6 | Confident | 65.6 | Low | 30 Ų | 30 | 98.6 Ų | 98.6 | 18% | 0.184 | 58% | 0.576 | C | S | . | * | | | trans | -89.6 | 19 | 172.8 | 71.8 | 0 | 0 | 0 | 0 | 113 | G46 F50 L51 | G46-T48 PolarHBondContact O-N 3.44Å; T48-F50 PolarHBondContact O-N 3.46Å; T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 PolarHBondContact O-N 2.97Å |
| 49 | S | 72.3 | Confident | 64.3 | Low | 62 Ų | 62 | 101.1 Ų | 101.1 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -50.8 | -30.9 | -179 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | D47 L51 S52 | D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 2.91Å; D47-S49 WeakPolarHBondContact OD1-CA 3.49Å; D47-S49 WeakPolarHBondContact OD1-CB 3.39Å; D47-S49 PolarHBondContact OD1-N 2.95Å; D47-S49 PolarHBondContact OD1-OG 2.94Å; D47-S49 VanDerWaalsContact OD2-CB 3.27Å; D47-S49 WeakPolarHBondContact OD2-CB 3Å; D47-S49 PolarHBondContact OD2-OG 2.8Å; S49-L51 PolarHBondContact O-N 3.31Å; S49-L51 VanDerWaalsContact O-N 3.16Å; S49-S52 VanDerWaalsContact O-CB 3.26Å; S49-S52 WeakPolarHBondContact O-CB 3.33Å; S49-S52 PolarHBondContact O-N 3Å |
| 50 | F | 70.9 | Confident | 63.5 | Low | 139 Ų | 139 | 110.1 Ų | 110.1 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -59.1 | -25.2 | 175.9 | 61.3 | -92.1 | 0 | 0 | 0 | 113.9 | D47 T48 T53 | D47-F50 WeakPolarHBondContact O-CE1 3.28Å; T48-F50 PolarHBondContact O-N 3.46Å; F50-T53 PolarHBondContact O-OG1 2.9Å |
| 51 | L | 69.9 | Low | 62.5 | Low | 110 Ų | 110 | 106.6 Ų | 106.6 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -76.1 | -24.3 | 175.2 | -61.4 | 179.2 | 0 | 0 | 0 | 112.8 | T48 S49 T53 R54 | T48-L51 WeakPolarHBondContact O-CB 3.39Å; T48-L51 PolarHBondContact O-N 2.97Å; S49-L51 PolarHBondContact O-N 3.31Å; S49-L51 VanDerWaalsContact O-N 3.16Å; L51-T53 PolarHBondContact O-N 3.08Å; L51-R54 PolarHBondContact O-N 3.26Å |
| 52 | S | 68.9 | Low | 61.8 | Low | 83 Ų | 83 | 108.5 Ų | 108.5 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -69.7 | -17.5 | -177.7 | -165.9 | 0 | 0 | 0 | 0 | 113.3 | S49 R54 S55 | S49-S52 VanDerWaalsContact O-CB 3.26Å; S49-S52 WeakPolarHBondContact O-CB 3.33Å; S49-S52 PolarHBondContact O-N 3Å; S52-R54 PolarHBondContact O-N 2.96Å; S52-S55 PolarHBondContact O-OG 3.3Å; S52-S55 VanDerWaalsContact O-OG 3.12Å |
| 53 | T | 62.6 | Low | 60.6 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 72% | 0.718 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -79 | -6 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | F50 L51 | F50-T53 PolarHBondContact O-OG1 2.9Å; L51-T53 PolarHBondContact O-N 3.08Å |
| 54 | R | 59.3 | Low | 59.9 | Low | 227 Ų | 227 | 113.3 Ų | 113.3 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -112 | -11.6 | -178.4 | -64.2 | -171 | 176.1 | -131.9 | 0.6 | 114.3 | L51 S52 G56 | L51-R54 PolarHBondContact O-N 3.26Å; S52-R54 PolarHBondContact O-N 2.96Å; R54-G56 PolarHBondContact O-N 2.77Å; R54-G56 VanDerWaalsContact O-N 3.08Å |
| 55 | S | 58.6 | Low | 58.7 | Low | 77 Ų | 77 | 119.3 Ų | 119.3 | 54% | 0.538 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -73.5 | 98.1 | 163.6 | 51.6 | 0 | 0 | 0 | 0 | 106.9 | S52 E57 | S52-S55 PolarHBondContact O-OG 3.3Å; S52-S55 VanDerWaalsContact O-OG 3.12Å; S55-E57 PolarHBondContact O-N 2.98Å |
| 56 | G | 55.6 | Low | 57.7 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | | | trans | -65.7 | 55.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R54 | R54-G56 PolarHBondContact O-N 2.77Å; R54-G56 VanDerWaalsContact O-N 3.08Å |
| 57 | E | 55.8 | Low | 56.1 | Low | 163 Ų | 163 | 123.2 Ų | 123.2 | 76% | 0.762 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 117.1 | 162.7 | -171.7 | -172.2 | 177.7 | 0 | 0 | 107.5 | S55 | S55-E57 PolarHBondContact O-N 2.98Š|
| 58 | P | 53.4 | Low | 54.5 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 139.5 | 178.4 | 26.2 | -32 | 0 | 0 | 0 | 110.2 | K60 | P58-K60 PolarHBondContact O-N 3.05Å; P58-K60 VanDerWaalsContact O-N 3.15Å |
| 59 | P | 48.7 | Very low | 52.9 | Low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.8 | 172.3 | -20.2 | 30.4 | 0 | 0 | 0 | 109.6 | E61 | P59-E61 PolarHBondContact O-N 3.17Š|
| 60 | K | 52.9 | Low | 51.3 | Low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 95.6 | 171.6 | -169.2 | 168.2 | -177.1 | 160.9 | 0 | 108.4 | P58 | P58-K60 PolarHBondContact O-N 3.05Å; P58-K60 VanDerWaalsContact O-N 3.15Å |
| 61 | E | 45 | Very low | 50.3 | Low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -55.8 | 136 | 171.9 | -173.5 | -179.8 | -175.3 | 0 | 0 | 110.9 | P59 A63 | P59-E61 PolarHBondContact O-N 3.17Å; E61-A63 PolarHBondContact O-N 2.96Å |
| 62 | P | 49.6 | Very low | 48.8 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -80.8 | 104.3 | 173.9 | 31.1 | -30.6 | 0 | 0 | 0 | 110.1 | | |
| 63 | A | 37.5 | Very low | 47.8 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -72.1 | 140.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E61 | E61-A63 PolarHBondContact O-N 2.96Š|
| 64 | P | 52 | Low | 47.3 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -92.3 | 167.8 | -176.6 | 36.8 | -33.2 | 0 | 0 | 0 | 113.5 | | |
| 65 | E | 37.3 | Very low | 46.8 | Very low | 175 Ų | 175 | 128.4 Ų | 128.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 112.5 | 112.1 | 153 | -64.7 | -160.2 | 150.2 | 0 | 0 | 120.8 | | |
| 66 | V | 41 | Very low | 46.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | | | | 65.7 | 111.2 | 122.5 | -171.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 67 | Q | 39.9 | Very low | 46.6 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 36.1 | 122.8 | 138.4 | -57 | -175.3 | 33.3 | 0 | 0 | 122.5 | | |
| 68 | Q | 42.6 | Very low | 46.5 | Very low | 174 Ų | 174 | 131.7 Ų | 131.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | 67.3 | 123.5 | 136.4 | -63.1 | -175.4 | 13 | 0 | 0 | 121.8 | | |
| 69 | S | 36.8 | Very low | 47 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | 122 | 125.8 | 142.2 | 73.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 70 | S | 39.3 | Very low | 47.4 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -77.7 | 163.1 | 174.8 | -102.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 71 | P | 49.9 | Very low | 47.4 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | -148.4 | 133.6 | 50.3 | 35.7 | -12.7 | 0 | 0 | 0 | 119.7 | | |
| 72 | G | 37.9 | Very low | 47.8 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 66.1 | 167.5 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 73 | P | 47.7 | Very low | 48 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | cis | -119.8 | 165.8 | -22.4 | 38.3 | -21.9 | 0 | 0 | 0 | 114.4 | | |
| 74 | V | 53.4 | Low | 48.9 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | -55.1 | 158.7 | -176.8 | -130.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 75 | P | 46.9 | Very low | 49.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | | -134.2 | 116.4 | 112.3 | 34.5 | -21.6 | 0 | 0 | 0 | 114.7 | | |
| 76 | K | 55.8 | Low | 49.9 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | 27.7 | 127 | 150.2 | -59.9 | 176.2 | -176.9 | 169.1 | 0 | 121.6 | | |
| 77 | P | 54.6 | Low | 50 | Low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -82.4 | 142 | 165.2 | 33 | -31.7 | 0 | 0 | 0 | 113 | | |
| 78 | G | 54.3 | Low | 51.1 | Low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -63.5 | 138.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L80 | G78-L80 PolarHBondContact O-N 3.4Š|
| 79 | L | 64.4 | Low | 51.5 | Low | 158 Ų | 158 | 146.1 Ų | 146.1 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -105 | 39.9 | -150.5 | -136.4 | 170.7 | 0 | 0 | 0 | 113.9 | | |
| 80 | L | 56.9 | Low | 51.9 | Low | 166 Ų | 166 | 145.4 Ų | 145.4 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -144.7 | 49.8 | 177.5 | -65 | 176.1 | 0 | 0 | 0 | 114.2 | G78 R82 | G78-L80 PolarHBondContact O-N 3.4Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.37Å |
| 81 | S | 52.8 | Low | 52.7 | Low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -84.1 | 80.2 | 158.4 | -58.4 | 0 | 0 | 0 | 0 | 109 | T83 | S81-T83 PolarHBondContact O-N 3.01Å; S81-T83 VanDerWaalsContact O-N 3.15Å |
| 82 | R | 53.7 | Low | 52.5 | Low | 215 Ų | 215 | 142.9 Ų | 142.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -82.5 | 92.3 | 174.9 | -167.2 | 174.1 | -97.9 | -146.7 | -2.4 | 109.2 | L80 F84 | L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.37Å; R82-F84 HydrophobicContact CG-CD2 3.85Å; R82-F84 HydrophobicContact CG-CE2 3.65Å |
| 83 | T | 53.9 | Low | 53.1 | Low | 112 Ų | 112 | 143.4 Ų | 143.4 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | | | trans | -75.4 | 123 | 167.5 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | S81 | S81-T83 PolarHBondContact O-N 3.01Å; S81-T83 VanDerWaalsContact O-N 3.15Å |
| 84 | F | 54.8 | Low | 52.9 | Low | 176 Ų | 176 | 144.6 Ų | 144.6 | 77% | 0.772 | 78% | 0.777 | S | S | * | * | | | trans | -145.1 | 96.2 | 151.2 | -69.4 | -71.3 | 0 | 0 | 0 | 105.7 | R82 | R82-F84 HydrophobicContact CG-CD2 3.85Å; R82-F84 HydrophobicContact CG-CE2 3.65Å |
| 85 | R | 60.9 | Low | 52.3 | Low | 237 Ų | 237 | 150.3 Ų | 150.3 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | | 46.1 | 105 | 89.9 | -75.8 | -171.2 | 173.6 | -125.6 | -0.2 | 112.9 | | |
| 86 | S | 50.8 | Low | 52 | Low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -29.6 | 140.1 | 167.9 | 54.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 87 | S | 42.7 | Very low | 51.6 | Low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -136.9 | 118.3 | 158.5 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 88 | K | 62.9 | Low | 51 | Low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -95.5 | 131.5 | 169.9 | -76 | -177 | 171.7 | 178.3 | 0 | 108.4 | | |
| 89 | R | 50.3 | Low | 50.3 | Low | 237 Ų | 237 | 149 Ų | 149 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | | | trans | -143.9 | 102.1 | 166.3 | -175 | 173.9 | -177.7 | -173.3 | 0.1 | 106.6 | | |
| 90 | S | 45.1 | Very low | 49.5 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | | 98.1 | 115.1 | 89.1 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 91 | Q | 56.9 | Low | 49.1 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 37% | 0.374 | 77% | 0.774 | S | S | . | * | | | trans | -62.4 | 149.3 | 164.2 | -63.7 | -68.2 | -17.9 | 0 | 0 | 110.6 | P201 | Q91-P201 HydrophobicContact CB-CB 4.31Å; Q91-P201 HydrophobicContact CB-CG 4.17Å; Q91-P201 HydrophobicContact CG-CB 4.34Å |
| 92 | S | 46.1 | Very low | 48.8 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | trans | -160 | 113.8 | 142.7 | 64 | 0 | 0 | 0 | 0 | 111.6 | | |
| 93 | V | 49.9 | Very low | 48.4 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 52% | 0.515 | 77% | 0.773 | S | S | . | * | | | trans | -100.2 | 141.3 | 157.5 | 145.2 | 0 | 0 | 0 | 0 | 107.9 | P201 | V93-P201 HydrophobicContact CB-CG 3.51Å; V93-P201 HydrophobicContact CG2-CG 3.69Å |
| 94 | N | 43.4 | Very low | 48.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -142.4 | 115.4 | 156.9 | -75.4 | -54.3 | 0 | 0 | 0 | 108.4 | | |
| 95 | R | 41.9 | Very low | 48.1 | Very low | 250 Ų | 250 | 135.2 Ų | 135.2 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | | | trans | -154.6 | 111.1 | 146.6 | -81.5 | -155.5 | 169.7 | 98.5 | -0.3 | 110.3 | | |
| 96 | G | 39.8 | Very low | 47.9 | Very low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | -134.3 | 109.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 97 | E | 47.5 | Very low | 48.2 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | | 74.2 | 103.5 | 87.9 | 84.7 | -173.8 | 168.9 | 0 | 0 | 112.9 | | |
| 98 | N | 41.4 | Very low | 49.1 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | | 175.5 | 148.5 | 117.5 | -90.7 | -12.1 | 0 | 0 | 0 | 113.4 | | |
| 99 | A | 40.2 | Very low | 49.1 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | 88.4 | 104.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 100 | L | 46.7 | Very low | 49.3 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | | | | 67.4 | 108.7 | 122 | -117.8 | 71.7 | 0 | 0 | 0 | 119.7 | | |
| 101 | A | 49 | Very low | 50.1 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 52.9 | 137.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 102 | P | 48 | Very low | 50.2 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 135.4 | -171.5 | 35.3 | -30.8 | 0 | 0 | 0 | 112.2 | | |
| 103 | P | 44.4 | Very low | 50.8 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127.5 | 151.2 | 30.2 | -26.1 | 0 | 0 | 0 | 108.6 | G105 | P103-G105 PolarHBondContact O-N 2.91Š|
| 104 | G | 54.3 | Low | 51.4 | Low | 89 Ų | 89 | 132.1 Ų | 132.1 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -52.4 | 125 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 105 | G | 48.2 | Very low | 52 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | | | trans | 160.9 | 97.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P103 P107 | P103-G105 PolarHBondContact O-N 2.91Å; G105-P107 WeakPolarHBondContact O-CD 3.19Å; G105-P107 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 55.9 | Low | 53.4 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | -45.3 | 121.7 | 162.2 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | N108 | S106-N108 PolarHBondContact O-N 3.5Š|
| 107 | P | 58.5 | Low | 54.5 | Low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -62.9 | 104.8 | 170.4 | -15.4 | 28.6 | 0 | 0 | 0 | 106.7 | G105 | G105-P107 WeakPolarHBondContact O-CD 3.19Å; G105-P107 VanDerWaalsContact O-N 3.15Å |
| 108 | N | 61.6 | Low | 55.1 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 149.2 | 159.2 | -71.6 | -49.3 | 0 | 0 | 0 | 106.5 | S106 | S106-N108 PolarHBondContact O-N 3.5Š|
| 109 | F | 61.4 | Low | 55.8 | Low | 206 Ų | 206 | 129.1 Ų | 129.1 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | 27.5 | 177.8 | 44.3 | -93 | 0 | 0 | 0 | 120.4 | | |
| 110 | V | 55.2 | Low | 56.6 | Low | 96 Ų | 96 | 129.3 Ų | 129.3 | 58% | 0.582 | 76% | 0.757 | S | S | * | * | | | trans | -93 | 85.5 | 143.9 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | N112 A113 | V110-N112 PolarHBondContact O-N 2.92Å; V110-A113 HydrophobicContact CB-CB 4.32Å; V110-A113 HydrophobicContact CG1-CB 3.92Å; V110-A113 PolarHBondContact O-N 2.94Å |
| 111 | K | 61.4 | Low | 57 | Low | 209 Ų | 209 | 126.9 Ų | 126.9 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 9.1 | -177.5 | -148.4 | 176.6 | 178 | -179.5 | 0 | 114.1 | | |
| 112 | N | 60 | Low | 57.1 | Low | 162 Ų | 162 | 130.1 Ų | 130.1 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.7 | 40.6 | 179.2 | -108.7 | 9.5 | 0 | 0 | 0 | 112.2 | V110 | V110-N112 PolarHBondContact O-N 2.92Š|
| 113 | A | 58.3 | Low | 57.3 | Low | 70 Ų | 70 | 132.1 Ų | 132.1 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | | | trans | -99.6 | 117.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108 | V110 S115 | V110-A113 HydrophobicContact CB-CB 4.32Å; V110-A113 HydrophobicContact CG1-CB 3.92Å; V110-A113 PolarHBondContact O-N 2.94Å; A113-S115 PolarHBondContact O-N 2.97Å |
| 114 | I | 62.4 | Low | 57.5 | Low | 173 Ų | 173 | 130.9 Ų | 130.9 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | | | trans | -67.3 | 100.6 | 162.5 | 36.5 | 167.5 | 0 | 0 | 0 | 106.9 | L116 | I114-L116 PolarHBondContact O-N 3.38Š|
| 115 | S | 56.4 | Low | 57.3 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -56.8 | 124.2 | 171.8 | 51.5 | 0 | 0 | 0 | 0 | 108.6 | A113 | A113-S115 PolarHBondContact O-N 2.97Š|
| 116 | L | 70.9 | Confident | 57.4 | Low | 153 Ų | 153 | 138.4 Ų | 138.4 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | -55.5 | 145.1 | 165.4 | -64.6 | 174.5 | 0 | 0 | 0 | 108.6 | I114 Y118 | I114-L116 PolarHBondContact O-N 3.38Å; L116-Y118 PolarHBondContact O-N 2.88Å |
| 117 | P | 63.8 | Low | 57.1 | Low | 122 Ų | 122 | 140.6 Ų | 140.6 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -57.1 | 115.8 | 172.1 | 23.6 | -31.3 | 0 | 0 | 0 | 108.1 | L119 | P117-L119 PolarHBondContact O-N 2.9Š|
| 118 | Y | 58.4 | Low | 56.3 | Low | 205 Ų | 205 | 139.4 Ų | 139.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 103.2 | 174.3 | -168.7 | -100.2 | 0 | 0 | 0 | 107.1 | L116 N120 | L116-Y118 PolarHBondContact O-N 2.88Å; Y118-N120 HydrophobicContact CD1-CB 3.76Å; Y118-N120 HydrophobicContact CE1-CB 3.75Å; Y118-N120 PolarHBondContact O-N 3.27Å |
| 119 | L | 57.6 | Low | 55.7 | Low | 144 Ų | 144 | 138.1 Ų | 138.1 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -78.2 | 96.4 | 174.9 | -172.9 | 75.8 | 0 | 0 | 0 | 107.7 | P117 | P117-L119 PolarHBondContact O-N 2.9Š|
| 120 | N | 55.3 | Low | 54.9 | Low | 95 Ų | 95 | 131.6 Ų | 131.6 | 51% | 0.508 | 77% | 0.773 | S | S | . | * | | | trans | -107.9 | 97.4 | 173.2 | -172.6 | 69.3 | 0 | 0 | 0 | 108.6 | Y118 E122 | Y118-N120 HydrophobicContact CD1-CB 3.76Å; Y118-N120 HydrophobicContact CE1-CB 3.75Å; Y118-N120 PolarHBondContact O-N 3.27Å; N120-E122 VanDerWaalsContact C-N 3.3Å; N120-E122 PolarHBondContact O-N 3.11Å |
| 121 | D | 55.2 | Low | 54.9 | Low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | | | trans | -91.4 | 66.3 | 171.9 | -65.4 | -43.5 | 0 | 0 | 0 | 109.5 | | |
| 122 | E | 52.2 | Low | 54.8 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | -101.8 | 74.9 | 166.5 | -62.4 | -73.2 | 112.1 | 0 | 0 | 107.9 | N120 A124 | N120-E122 VanDerWaalsContact C-N 3.3Å; N120-E122 PolarHBondContact O-N 3.11Å; E122-A124 PolarHBondContact O-N 3.18Å; E122-A124 VanDerWaalsContact O-N 3.08Å |
| 123 | D | 52.7 | Low | 54.6 | Low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | -70 | 93 | 168.8 | -100.4 | -53.7 | 0 | 0 | 0 | 109.6 | | |
| 124 | A | 48.7 | Very low | 54.1 | Low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -149 | 73.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E122 | E122-A124 PolarHBondContact O-N 3.18Å; E122-A124 VanDerWaalsContact O-N 3.08Å |
| 125 | G | 49.3 | Very low | 53.6 | Low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 85.9 | 122.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 126 | R | 50.8 | Low | 53.1 | Low | 239 Ų | 239 | 132.3 Ų | 132.3 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | 97.2 | 122.6 | 145.7 | -57 | 178 | 174.4 | -108.1 | -2.6 | 116.9 | | |
| 127 | T | 48.8 | Very low | 51.8 | Low | 145 Ų | 145 | 132.7 Ų | 132.7 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | 74.7 | 101.5 | 153.2 | 53.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 128 | G | 42.7 | Very low | 51.2 | Low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | | 92.6 | 100.5 | 125.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 129 | G | 48.5 | Very low | 50.3 | Low | 89 Ų | 89 | 127.6 Ų | 127.6 | 92% | 0.918 | 79% | 0.789 | S | S | * | * | | | trans | 81 | 90.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 130 | G | 44.9 | Very low | 49.6 | Very low | 69 Ų | 69 | 125.7 Ų | 125.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -175.4 | 141.4 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 131 | P | 55.3 | Low | 49.1 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 156.4 | -155 | 30.9 | -34.8 | 0 | 0 | 0 | 115.1 | | |
| 132 | P | 58.1 | Low | 48.5 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 152.2 | -170.1 | 31.5 | -36 | 0 | 0 | 0 | 113.8 | | |
| 133 | M | 56.9 | Low | 48.2 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 145.6 | 174.8 | -60.3 | -163.5 | 145.7 | 0 | 0 | 113.7 | K135 | M133-K135 PolarHBondContact O-N 3.07Š|
| 134 | P | 48.2 | Very low | 47.6 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -68.4 | 106.1 | 171.4 | 27.7 | -31 | 0 | 0 | 0 | 109.5 | | |
| 135 | K | 50.2 | Low | 47.2 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -67.4 | 135.6 | 169.2 | -62.2 | 171.9 | -170.7 | 174.3 | 0 | 108.8 | M133 | M133-K135 PolarHBondContact O-N 3.07Š|
| 136 | S | 45.7 | Very low | 46.9 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | -14 | 127.1 | 166.5 | -47.5 | 0 | 0 | 0 | 0 | 116.5 | S138 | S136-S138 VanDerWaalsContact C-N 3.25Å; S136-S138 PolarHBondContact O-N 3.33Å |
| 137 | V | 44.6 | Very low | 46.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 98% | 0.976 | 82% | 0.819 | S | S | * | * | | | trans | -74.9 | 79.1 | 164.1 | -73.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 138 | S | 51.9 | Low | 46.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -121 | 110.2 | 158.7 | 172.1 | 0 | 0 | 0 | 0 | 107.7 | S136 | S136-S138 VanDerWaalsContact C-N 3.25Å; S136-S138 PolarHBondContact O-N 3.33Å |
| 139 | S | 39.1 | Very low | 46.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -167.6 | 109.5 | 148.1 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 140 | S | 42.7 | Very low | 45.6 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -61.8 | 140.7 | 151.1 | 174 | 0 | 0 | 0 | 0 | 110.3 | | |
| 141 | P | 44.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -91.4 | 108 | 177.2 | 27.6 | -19.7 | 0 | 0 | 0 | 112.1 | | |
| 142 | L | 43.8 | Very low | 44.9 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | -109.6 | 108.3 | 156.2 | -85 | 159.8 | 0 | 0 | 0 | 108 | | |
| 143 | K | 44.8 | Very low | 44.4 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 122.1 | 171.2 | -74.6 | -163.8 | 173.5 | -175.9 | 0 | 109.9 | | |
| 144 | K | 40 | Very low | 43.8 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 148.1 | 162.3 | -74.7 | -152.6 | 176.5 | -171.3 | 0 | 111 | | |
| 145 | L | 40 | Very low | 43.6 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 152.9 | 176 | -166.4 | 130.4 | 0 | 0 | 0 | 114.8 | E147 | L145-E147 HydrophobicContact CD2-CB 3.85Å; L145-E147 VanDerWaalsContact CD2-N 3.34Å |
| 146 | P | 44.4 | Very low | 43.2 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | | | trans | -113.9 | 130.9 | 142.4 | 33.3 | -25 | 0 | 0 | 0 | 111.1 | | |
| 147 | E | 39.5 | Very low | 42.8 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | | | trans | -80.7 | 122.1 | 172.9 | -179.8 | 178.4 | -177.3 | 0 | 0 | 108.1 | L145 | L145-E147 HydrophobicContact CD2-CB 3.85Å; L145-E147 VanDerWaalsContact CD2-N 3.34Å |
| 148 | V | 44.8 | Very low | 42.6 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -143.9 | 120.5 | 151.9 | 71.3 | 0 | 0 | 0 | 0 | 109 | | |
| 149 | E | 39.6 | Very low | 42 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -57.7 | 140.1 | -177.3 | -170.8 | 111.3 | -153.5 | 0 | 0 | 113.3 | | |
| 150 | G | 38.1 | Very low | 42.5 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | trans | 161.1 | 73.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 151 | I | 46.7 | Very low | 42.6 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | | | trans | 49.7 | 114 | 150.4 | -31.7 | -179.8 | 0 | 0 | 0 | 114.3 | | |
| 152 | R | 39.6 | Very low | 42.4 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | | | | -176.4 | 129.9 | 70.4 | -29.5 | -162.3 | 176.9 | 149.5 | 5 | 108.4 | | |
| 153 | K | 48.7 | Very low | 42.6 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 56.7 | 118.8 | 152.8 | -64.7 | 173.7 | 176 | 178.5 | 0 | 120.1 | | |
| 154 | P | 43.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129.3 | 152.6 | 32.1 | -27.8 | 0 | 0 | 0 | 109.6 | | |
| 155 | V | 43.9 | Very low | 42.9 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 117 | 162 | 67.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 156 | N | 41.5 | Very low | 43.1 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 142.9 | 175.1 | -64.3 | -40.5 | 0 | 0 | 0 | 111.5 | | |
| 157 | G | 37.1 | Very low | 43.5 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -160.3 | 49.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A159 | G157-A159 PolarHBondContact O-N 3.27Š|
| 158 | A | 41.8 | Very low | 44 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -67.7 | 112.7 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 159 | A | 38.1 | Very low | 44.1 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | -143.3 | 101.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | G157 M161 | G157-A159 PolarHBondContact O-N 3.27Å; A159-M161 PolarHBondContact O-N 3.11Å |
| 160 | A | 49.4 | Very low | 44.4 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -60 | 115.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 161 | M | 45.2 | Very low | 45.2 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -137.2 | 96 | 164.6 | -60.9 | -62.7 | -77.7 | 0 | 0 | 106.9 | A159 | A159-M161 PolarHBondContact O-N 3.11Š|
| 162 | D | 40.4 | Very low | 45 | Very low | 116 Ų | 116 | 150 Ų | 150 | 62% | 0.62 | 81% | 0.811 | S | S | * | * | | | | 50.8 | 89.9 | 126.2 | -156.6 | 16.5 | 0 | 0 | 0 | 117 | E164 | D162-E164 PolarHBondContact O-N 3.29Å; D162-E164 WeakPolarHBondContact OD1-CB 3.14Å |
| 163 | L | 47 | Very low | 45.6 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -81.6 | 18.7 | 176.2 | -124.3 | 88.7 | 0 | 0 | 0 | 112.8 | | |
| 164 | E | 48.2 | Very low | 45.6 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -97.5 | 6.8 | -168.1 | -147.7 | -175.9 | 173.9 | 0 | 0 | 114.9 | D162 | D162-E164 PolarHBondContact O-N 3.29Å; D162-E164 WeakPolarHBondContact OD1-CB 3.14Å |
| 165 | F | 43.1 | Very low | 46 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 68% | 0.684 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -125.9 | 5.4 | -173.6 | -100 | -87.4 | 0 | 0 | 0 | 118.3 | | |
| 166 | D | 46.1 | Very low | 46.4 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -105.3 | 20.1 | -179.3 | -150 | 31.3 | 0 | 0 | 0 | 114.8 | | |
| 167 | E | 50.8 | Low | 46.8 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -91.2 | 13.2 | 176.3 | -95.1 | -171.7 | 165.7 | 0 | 0 | 114.3 | | |
| 168 | R | 50.6 | Low | 47.3 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -129 | 30.8 | -173.4 | -75.8 | -166.5 | -89.8 | 172.6 | -8.1 | 117 | | |
| 169 | N | 47.6 | Very low | 47.3 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -139.4 | 59 | 163.8 | -90.2 | -29.1 | 0 | 0 | 0 | 112.2 | G171 | N169-G171 PolarHBondContact O-N 3.45Š|
| 170 | F | 45.8 | Very low | 47.4 | Very low | 216 Ų | 216 | 148.8 Ų | 148.8 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | | | trans | -74.3 | 108.6 | 153.4 | -101.7 | -94.7 | 0 | 0 | 0 | 108.1 | | |
| 171 | G | 54.2 | Low | 47.6 | Very low | 79 Ų | 79 | 152.5 Ų | 152.5 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 151.6 | 35.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | N169 | N169-G171 PolarHBondContact O-N 3.45Š|
| 172 | E | 43 | Very low | 47.5 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -128.4 | 110.3 | 164.3 | -155.1 | 174.8 | 165.4 | 0 | 0 | 111.9 | T174 | E172-T174 VanDerWaalsContact C-N 3.28Å; E172-T174 HydrophobicContact CG-CG2 4.15Å; E172-T174 PolarHBondContact O-N 3.16Å; E172-T174 VanDerWaalsContact O-N 3.09Å |
| 173 | L | 51.3 | Low | 48.1 | Very low | 179 Ų | 179 | 154.1 Ų | 154.1 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | | | trans | -81 | 50.2 | -173.5 | -89.4 | 155.2 | 0 | 0 | 0 | 112.7 | | |
| 174 | T | 49.6 | Very low | 48.1 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 64% | 0.638 | 80% | 0.799 | S | S | * | * | | | trans | -117.6 | 5 | -170 | 49.4 | 0 | 0 | 0 | 0 | 117 | E172 | E172-T174 VanDerWaalsContact C-N 3.28Å; E172-T174 HydrophobicContact CG-CG2 4.15Å; E172-T174 PolarHBondContact O-N 3.16Å; E172-T174 VanDerWaalsContact O-N 3.09Å |
| 175 | D | 51.8 | Low | 48.2 | Very low | 158 Ų | 158 | 144.5 Ų | 144.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -133.7 | 42.7 | -175.3 | -126.8 | 8.2 | 0 | 0 | 0 | 116 | | |
| 176 | L | 52.5 | Low | 48.8 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -107.3 | 128.7 | 164.1 | -65.7 | 179.4 | 0 | 0 | 0 | 110.5 | | |
| 177 | P | 48.2 | Very low | 49.5 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -64.5 | 142.9 | 173.6 | 27 | -32.7 | 0 | 0 | 0 | 110 | S179 | P177-S179 PolarHBondContact O-N 3.49Å; P177-S179 VanDerWaalsContact O-N 3.1Å |
| 178 | P | 48.5 | Very low | 49.5 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | | | trans | -62.8 | 115.9 | -177.4 | 23 | -30.9 | 0 | 0 | 0 | 110.2 | H180 | P178-H180 PolarHBondContact O-CE1 3Å; P178-H180 PolarHBondContact O-N 3.19Å; P178-H180 VanDerWaalsContact O-N 3.12Å; P178-H180 PolarHBondContact O-ND1 3Å; P178-H180 VanDerWaalsContact O-ND1 3.09Å |
| 179 | S | 41.4 | Very low | 49.8 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -69.9 | 107.5 | 172 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | P177 L181 | P177-S179 PolarHBondContact O-N 3.49Å; P177-S179 VanDerWaalsContact O-N 3.1Å; S179-L181 PolarHBondContact O-N 3.04Å |
| 180 | H | 41.1 | Very low | 50.2 | Low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -65.5 | 117.6 | 169.7 | -12.5 | -64.4 | 0 | 0 | 0 | 107 | P178 R182 | P178-H180 PolarHBondContact O-CE1 3Å; P178-H180 PolarHBondContact O-N 3.19Å; P178-H180 VanDerWaalsContact O-N 3.12Å; P178-H180 PolarHBondContact O-ND1 3Å; P178-H180 VanDerWaalsContact O-ND1 3.09Å; H180-R182 PolarHBondContact O-N 2.85Å |
| 181 | L | 52.3 | Low | 50.7 | Low | 180 Ų | 180 | 136 Ų | 136 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | | | trans | -60.2 | 86.3 | 163.2 | -70.1 | 169.1 | 0 | 0 | 0 | 108.3 | S179 | S179-L181 PolarHBondContact O-N 3.04Š|
| 182 | R | 44.4 | Very low | 50.9 | Low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -91.4 | 98.2 | 162.1 | -172.7 | 171.2 | -69.8 | -91.3 | 0.2 | 106.3 | H180 G184 | H180-R182 PolarHBondContact O-N 2.85Å; R182-G184 PolarHBondContact O-N 3.2Å |
| 183 | G | 52.3 | Low | 51.6 | Low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -48 | 114.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 184 | G | 47.2 | Very low | 52 | Low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -144.1 | 95.7 | 169 | 0 | 0 | 0 | 0 | 0 | 105.3 | R182 M186 | R182-G184 PolarHBondContact O-N 3.2Å; G184-M186 PolarHBondContact O-N 3.33Å |
| 185 | G | 50.9 | Low | 52.6 | Low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -48 | 139.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | K187 | G185-K187 VanDerWaalsContact C-N 3.34Å; G185-K187 PolarHBondContact O-N 3.12Å |
| 186 | M | 55.2 | Low | 53.3 | Low | 184 Ų | 184 | 137.6 Ų | 137.6 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | trans | -53.8 | 100.9 | 172.4 | -64.5 | 163.5 | 63.1 | 0 | 0 | 107.6 | G184 H188 | G184-M186 PolarHBondContact O-N 3.33Å; M186-H188 PolarHBondContact O-N 2.84Å |
| 187 | K | 61.1 | Low | 54.2 | Low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 104.2 | 175 | 57.8 | -166.7 | 177.9 | -164.8 | 0 | 106.8 | G185 | G185-K187 VanDerWaalsContact C-N 3.34Å; G185-K187 PolarHBondContact O-N 3.12Å |
| 188 | H | 51.3 | Low | 55.5 | Low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | 34.3 | 101 | 167.3 | -57 | -81.6 | 0 | 0 | 0 | 115.4 | M186 E190 | M186-H188 PolarHBondContact O-N 2.84Å; H188-E190 VanDerWaalsContact C-N 3.26Å; H188-E190 PolarHBondContact O-N 2.93Å |
| 189 | A | 55.1 | Low | 56.9 | Low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | trans | -64.5 | 95.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S191 | A189-S191 VanDerWaalsContact C-N 3.31Å; A189-S191 PolarHBondContact O-N 3.39Å |
| 190 | E | 56.6 | Low | 58.9 | Low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | | | trans | -64.8 | 96.8 | 170.8 | -60.5 | 178.4 | -151 | 0 | 0 | 107 | H188 I192 | H188-E190 VanDerWaalsContact C-N 3.26Å; H188-E190 PolarHBondContact O-N 2.93Å; E190-I192 PolarHBondContact O-N 3.47Å |
| 191 | S | 56.3 | Low | 60.7 | Low | 85 Ų | 85 | 124 Ų | 124 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | | | trans | -66.9 | 92.6 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | A189 M193 S194 | A189-S191 VanDerWaalsContact C-N 3.31Å; A189-S191 PolarHBondContact O-N 3.39Å; S191-M193 PolarHBondContact O-N 3.13Å; S191-S194 PolarHBondContact O-N 3.18Å |
| 192 | I | 59.7 | Low | 62 | Low | 173 Ų | 173 | 120.1 Ų | 120.1 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 13.6 | 172.6 | 44.7 | 169.2 | 0 | 0 | 0 | 114.1 | E190 | E190-I192 PolarHBondContact O-N 3.47Š|
| 193 | M | 57 | Low | 63.8 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 61% | 0.606 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 5.9 | -178.1 | -64.4 | -168.1 | 66.2 | 0 | 0 | 114.2 | S191 F195 | S191-M193 PolarHBondContact O-N 3.13Å; M193-F195 VanDerWaalsContact C-N 3.25Å; M193-F195 VanDerWaalsContact O-CD1 3.28Å; M193-F195 WeakPolarHBondContact O-CD1 3.29Å; M193-F195 PolarHBondContact O-N 3.41Å |
| 194 | S | 59.7 | Low | 65.4 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | | | trans | -77 | 78.2 | 173.1 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | S191 H196 | S191-S194 PolarHBondContact O-N 3.18Å; S194-H196 PolarHBondContact O-N 3.02Å |
| 195 | F | 60.9 | Low | 67.4 | Low | 154 Ų | 154 | 111.5 Ų | 111.5 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | | | trans | -78.1 | 111.5 | 164.8 | 58.8 | -91.5 | 0 | 0 | 0 | 107.7 | M193 I197 | M193-F195 VanDerWaalsContact C-N 3.25Å; M193-F195 VanDerWaalsContact O-CD1 3.28Å; M193-F195 WeakPolarHBondContact O-CD1 3.29Å; M193-F195 PolarHBondContact O-N 3.41Å; F195-I197 HydrophobicContact CD2-CD1 3.62Å; F195-I197 HydrophobicContact CD2-CG1 3.35Å; F195-I197 HydrophobicContact CE2-CD1 3.46Å; F195-I197 VanDerWaalsContact CE2-CD1 3.46Å; F195-I197 HydrophobicContact CE2-CG1 3.67Å; F195-I197 PolarHBondContact O-N 3.08Å |
| 196 | H | 67.3 | Low | 69.2 | Low | 167 Ų | 167 | 113.3 Ų | 113.3 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | | | trans | -81.6 | 96.4 | 172.8 | -177.7 | -75.7 | 0 | 0 | 0 | 107.7 | S194 D198 | S194-H196 PolarHBondContact O-N 3.02Å; H196-D198 PolarHBondContact O-N 3.49Å |
| 197 | I | 71.3 | Confident | 70.8 | Confident | 113 Ų | 113 | 108.2 Ų | 108.2 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | | | trans | -78.3 | 101.4 | 175.1 | -48 | -170.4 | 0 | 0 | 0 | 108.2 | F195 L199 | F195-I197 HydrophobicContact CD2-CD1 3.62Å; F195-I197 HydrophobicContact CD2-CG1 3.35Å; F195-I197 HydrophobicContact CE2-CD1 3.46Å; F195-I197 VanDerWaalsContact CE2-CD1 3.46Å; F195-I197 HydrophobicContact CE2-CG1 3.67Å; F195-I197 PolarHBondContact O-N 3.08Å; I197-L199 HydrophobicContact CG2-CD2 4.01Å; I197-L199 HydrophobicContact CG2-CG 3.85Å; I197-L199 PolarHBondContact O-N 2.97Å |
| 198 | D | 75.9 | Confident | 71.9 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 69% | 0.69 | 57% | 0.57 | S | S | * | * | | | trans | -83.9 | 92.8 | 170 | -170.5 | 13.2 | 0 | 0 | 0 | 109.4 | H196 G200 | H196-D198 PolarHBondContact O-N 3.49Å; D198-G200 VanDerWaalsContact C-N 3.33Å; D198-G200 PolarHBondContact O-N 3.26Å; D198-G200 VanDerWaalsContact O-N 3.11Å |
| 199 | L | 77.6 | Confident | 73.5 | Confident | 63 Ų | 63 | 98.7 Ų | 98.7 | 33% | 0.33 | 56% | 0.556 | S | S | . | * | | | trans | -78.3 | 86.8 | 172 | -65 | 158.8 | 0 | 0 | 0 | 106.8 | I197 M203 L204 | I197-L199 HydrophobicContact CG2-CD2 4.01Å; I197-L199 HydrophobicContact CG2-CG 3.85Å; I197-L199 PolarHBondContact O-N 2.97Å; L199-M203 HydrophobicContact CB-CB 4.47Å; L199-M203 HydrophobicContact CD2-CB 4.41Å; L199-M203 HydrophobicContact CD2-CE 3.57Å; L199-M203 HydrophobicContact CD2-SD 3.71Å; L199-L204 HydrophobicContact CB-CG 4.27Å; L199-L204 WeakPolarHBondContact O-CD1 3.37Å; L199-L204 VanDerWaalsContact O-CG 3.28Å; L199-L204 WeakPolarHBondContact O-CG 3.49Å |
| 200 | G | 83.1 | Confident | 74.9 | Confident | 23 Ų | 23 | 99 Ų | 99 | 24% | 0.237 | 55% | 0.549 | C | S | . | . | | | trans | -54.2 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D198 S202 M203 L204 | D198-G200 VanDerWaalsContact C-N 3.33Å; D198-G200 PolarHBondContact O-N 3.26Å; D198-G200 VanDerWaalsContact O-N 3.11Å; G200-S202 PolarHBondContact O-N 3.49Å; G200-M203 PolarHBondContact O-N 3.05Å; G200-L204 PolarHBondContact O-N 2.93Å |
| 201 | P | 80.4 | Confident | 76 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 23% | 0.234 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -57.9 | -23.6 | -170.8 | -25.8 | 36.3 | 0 | 0 | 0 | 115.4 | Q91 V93 G205 | Q91-P201 HydrophobicContact CB-CB 4.31Å; Q91-P201 HydrophobicContact CB-CG 4.17Å; Q91-P201 HydrophobicContact CG-CB 4.34Å; V93-P201 HydrophobicContact CB-CG 3.51Å; V93-P201 HydrophobicContact CG2-CG 3.69Å; P201-G205 PolarHBondContact O-N 3.02Å |
| 202 | S | 77.9 | Confident | 77.1 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 69% | 0.685 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -48.3 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | G200 G205 D206 | G200-S202 PolarHBondContact O-N 3.49Å; S202-G205 PolarHBondContact O-N 3.17Å; S202-D206 PolarHBondContact O-N 3.46Å |
| 203 | M | 83.8 | Confident | 77.7 | Confident | 105 Ų | 105 | 101 Ų | 101 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.4 | -35.3 | 177.5 | -73.1 | -169.8 | 71.8 | 0 | 0 | 112.1 | L199 G200 G205 I207 | L199-M203 HydrophobicContact CB-CB 4.47Å; L199-M203 HydrophobicContact CD2-CB 4.41Å; L199-M203 HydrophobicContact CD2-CE 3.57Å; L199-M203 HydrophobicContact CD2-SD 3.71Å; G200-M203 PolarHBondContact O-N 3.05Å; M203-G205 VanDerWaalsContact C-N 3.33Å; M203-I207 WeakPolarHBondContact O-CD1 3.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.26Å; M203-I207 PolarHBondContact O-N 2.9Å; M203-I207 VanDerWaalsContact O-N 3.13Å |
| 204 | L | 85.5 | Confident | 77.9 | Confident | 56 Ų | 56 | 104.4 Ų | 104.4 | 29% | 0.293 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.5 | -31.1 | 175.8 | -73.2 | 168.3 | 0 | 0 | 0 | 112.3 | L199 G200 L208 | L199-L204 HydrophobicContact CB-CG 4.27Å; L199-L204 WeakPolarHBondContact O-CD1 3.37Å; L199-L204 VanDerWaalsContact O-CG 3.28Å; L199-L204 WeakPolarHBondContact O-CG 3.49Å; G200-L204 PolarHBondContact O-N 2.93Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 WeakPolarHBondContact O-CD1 3.41Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.16Å |
| 205 | G | 87.9 | Confident | 78.1 | Confident | 34 Ų | 34 | 101.5 Ų | 101.5 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P201 S202 M203 I207 L208 S209 | P201-G205 PolarHBondContact O-N 3.02Å; S202-G205 PolarHBondContact O-N 3.17Å; M203-G205 VanDerWaalsContact C-N 3.33Å; G205-I207 PolarHBondContact O-N 3.41Å; G205-L208 PolarHBondContact O-N 2.84Å; G205-S209 VanDerWaalsContact O-CB 3.32Å; G205-S209 WeakPolarHBondContact O-CB 3.34Å; G205-S209 PolarHBondContact O-N 2.87Å |
| 206 | D | 89.6 | Confident | 77.9 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -44.7 | 175.8 | -65.5 | -20.9 | 0 | 0 | 0 | 111.6 | S202 S209 V210 | S202-D206 PolarHBondContact O-N 3.46Å; D206-S209 PolarHBondContact O-N 3.16Å; D206-V210 VanDerWaalsContact O-CG2 3.3Å; D206-V210 WeakPolarHBondContact O-CG2 3.32Å; D206-V210 PolarHBondContact O-N 3.3Å |
| 207 | I | 89.1 | Confident | 77.5 | Confident | 77 Ų | 77 | 106.8 Ų | 106.8 | 40% | 0.395 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.4 | -44.1 | 177.8 | -66.6 | 163.7 | 0 | 0 | 0 | 110.8 | M203 G205 V210 M211 | M203-I207 WeakPolarHBondContact O-CD1 3.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.26Å; M203-I207 PolarHBondContact O-N 2.9Å; M203-I207 VanDerWaalsContact O-N 3.13Å; G205-I207 PolarHBondContact O-N 3.41Å; I207-V210 PolarHBondContact O-N 3.13Å; I207-M211 HydrophobicContact CG2-SD 4.31Å; I207-M211 WeakPolarHBondContact O-CG 3.19Å; I207-M211 PolarHBondContact O-N 3.48Å; I207-M211 VanDerWaalsContact O-N 3.13Å |
| 208 | L | 83.4 | Confident | 76.9 | Confident | 90 Ų | 90 | 110.3 Ų | 110.3 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 178.3 | -74.7 | 166.4 | 0 | 0 | 0 | 111.9 | L204 G205 V210 M211 E212 | L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 WeakPolarHBondContact O-CD1 3.41Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.16Å; G205-L208 PolarHBondContact O-N 2.84Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 2.86Å; L208-M211 PolarHBondContact O-N 3.49Å; L208-M211 VanDerWaalsContact O-N 3.16Å; L208-E212 WeakPolarHBondContact O-CB 3.09Å; L208-E212 PolarHBondContact O-N 3.25Å |
| 209 | S | 85.1 | Confident | 75.7 | Confident | 68 Ų | 68 | 112.6 Ų | 112.6 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -38.9 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | G205 D206 M211 E212 K213 | G205-S209 VanDerWaalsContact O-CB 3.32Å; G205-S209 WeakPolarHBondContact O-CB 3.34Å; G205-S209 PolarHBondContact O-N 2.87Å; D206-S209 PolarHBondContact O-N 3.16Å; S209-M211 VanDerWaalsContact C-N 3.33Å; S209-M211 PolarHBondContact O-N 2.71Å; S209-E212 PolarHBondContact O-N 3.12Å; S209-K213 WeakPolarHBondContact O-CB 3.49Å; S209-K213 PolarHBondContact O-N 3.15Å |
| 210 | V | 85.5 | Confident | 74.8 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.1 | -40.1 | 173.4 | 169 | 0 | 0 | 0 | 0 | 111.8 | D206 I207 L208 | D206-V210 VanDerWaalsContact O-CG2 3.3Å; D206-V210 WeakPolarHBondContact O-CG2 3.32Å; D206-V210 PolarHBondContact O-N 3.3Å; I207-V210 PolarHBondContact O-N 3.13Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 2.86Å |
| 211 | M | 79.9 | Confident | 73.2 | Confident | 135 Ų | 135 | 123.5 Ų | 123.5 | 67% | 0.665 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -33.9 | 177.7 | -68.5 | 177.6 | 66.4 | 0 | 0 | 112.3 | I207 L208 S209 | I207-M211 HydrophobicContact CG2-SD 4.31Å; I207-M211 WeakPolarHBondContact O-CG 3.19Å; I207-M211 PolarHBondContact O-N 3.48Å; I207-M211 VanDerWaalsContact O-N 3.13Å; L208-M211 PolarHBondContact O-N 3.49Å; L208-M211 VanDerWaalsContact O-N 3.16Å; S209-M211 VanDerWaalsContact C-N 3.33Å; S209-M211 PolarHBondContact O-N 2.71Å |
| 212 | E | 78 | Confident | 71.9 | Confident | 148 Ų | 148 | 125.4 Ų | 125.4 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75 | -38.4 | 178 | -174.9 | 170.4 | -162.7 | 0 | 0 | 112 | L208 S209 K214 G215 | L208-E212 WeakPolarHBondContact O-CB 3.09Å; L208-E212 PolarHBondContact O-N 3.25Å; S209-E212 PolarHBondContact O-N 3.12Å; E212-K214 PolarHBondContact O-N 3.35Å; E212-K214 VanDerWaalsContact O-N 3.15Å; E212-G215 PolarHBondContact O-N 2.62Å |
| 213 | K | 73.3 | Confident | 70.2 | Confident | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.9 | -16.3 | -179.4 | -169.2 | 179.2 | 178.1 | -160 | 0 | 114 | S209 | S209-K213 WeakPolarHBondContact O-CB 3.49Å; S209-K213 PolarHBondContact O-N 3.15Å |
| 214 | K | 61.3 | Low | 68.6 | Low | 195 Ų | 195 | 134.7 Ų | 134.7 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 8.5 | 178 | -95.6 | -165.2 | 173.2 | -157.2 | 0 | 114.7 | E212 | E212-K214 PolarHBondContact O-N 3.35Å; E212-K214 VanDerWaalsContact O-N 3.15Å |
| 215 | G | 62.7 | Low | 66.9 | Low | 43 Ų | 43 | 139.1 Ų | 139.1 | 44% | 0.443 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -89.3 | -17 | -172 | 0 | 0 | 0 | 0 | 0 | 117.7 | E212 | E212-G215 PolarHBondContact O-N 2.62Š|
| 216 | W | 58 | Low | 64.7 | Low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -147.6 | 13.8 | -157.3 | -64.3 | 105.1 | 0 | 0 | 0 | 119 | | |
| 217 | E | 59 | Low | 62.6 | Low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -144.2 | 38.9 | -178.5 | -147.3 | 179.9 | -158.1 | 0 | 0 | 116 | | |
| 218 | E | 57.1 | Low | 60.1 | Low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -154.9 | 29.7 | 167.6 | -127.9 | 177.6 | -152.2 | 0 | 0 | 116.1 | | |
| 219 | D | 51.9 | Low | 58.5 | Low | 177 Ų | 177 | 145 Ų | 145 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -134.5 | 30.7 | 171 | -98.2 | -18.5 | 0 | 0 | 0 | 112.2 | | |
| 220 | D | 58 | Low | 56.7 | Low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -121.2 | 144.4 | 162.2 | -151.2 | -3.1 | 0 | 0 | 0 | 108.6 | | |
| 221 | L | 51 | Low | 54.5 | Low | 167 Ų | 167 | 149.7 Ų | 149.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 94.5 | 85.5 | -179.1 | -44.2 | -176.3 | 0 | 0 | 0 | 117.2 | | |
| 222 | G | 52.1 | Low | 52.7 | Low | 77 Ų | 77 | 155.5 Ų | 155.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | | 130.5 | 60.1 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 223 | Y | 41.9 | Very low | 50.6 | Low | 215 Ų | 215 | 152 Ų | 152 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -94.4 | 91.7 | 149.7 | 70.1 | -88.5 | 0 | 0 | 0 | 108.6 | E225 | Y223-E225 PolarHBondContact O-N 3.2Š|
| 224 | E | 50.2 | Low | 49.1 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -76.3 | 110.1 | 160.6 | -90.9 | -71.1 | 173.5 | 0 | 0 | 107.9 | G226 | E224-G226 PolarHBondContact O-N 3.33Å; E224-G226 VanDerWaalsContact O-N 3.12Å |
| 225 | E | 50.8 | Low | 48.4 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | | | trans | -70.9 | 92.9 | 171.4 | -175.2 | -179.9 | 169.9 | 0 | 0 | 109.3 | Y223 | Y223-E225 PolarHBondContact O-N 3.2Š|
| 226 | G | 40.4 | Very low | 47.7 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | trans | -112.5 | 102.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E224 | E224-G226 PolarHBondContact O-N 3.33Å; E224-G226 VanDerWaalsContact O-N 3.12Å |
| 227 | K | 45.6 | Very low | 46.6 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | | | trans | -63.9 | 143.7 | 172.7 | -62.1 | 171.7 | 174.7 | 171.4 | 0 | 112.2 | | |
| 228 | G | 37.7 | Very low | 45.7 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | | | trans | 152.2 | 96.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 229 | S | 48.4 | Very low | 45.2 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | | 84.4 | 109.6 | 102.9 | 70.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 230 | E | 47.3 | Very low | 44.8 | Very low | 192 Ų | 192 | 135.9 Ų | 135.9 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | 16.8 | 126.7 | 140.9 | 67.4 | -160 | 147.2 | 0 | 0 | 119.9 | | |
| 231 | G | 39.5 | Very low | 43.5 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 173.9 | 80.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 232 | R | 42.9 | Very low | 42.7 | Very low | 256 Ų | 256 | 133.6 Ų | 133.6 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | | | trans | 26.9 | 135.3 | 144.1 | -56.9 | -165.5 | 175.5 | -100 | -2.8 | 121.1 | | |
| 233 | G | 34.4 | Very low | 42.2 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | | 133.6 | 91.1 | 122.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 234 | S | 40.9 | Very low | 41.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 136.2 | 153.1 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 235 | P | 47.3 | Very low | 41 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 136 | 174.4 | 31.5 | -29.6 | 0 | 0 | 0 | 112.1 | | |
| 236 | P | 47.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 149.4 | 169.1 | 36.5 | -28.8 | 0 | 0 | 0 | 111.2 | | |
| 237 | L | 35.5 | Very low | 40.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | | | trans | -141.7 | 115 | 165.3 | -77.1 | 173.5 | 0 | 0 | 0 | 111.1 | | |
| 238 | S | 38.7 | Very low | 40.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -136.2 | 147.3 | 157 | 43.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 239 | P | 46.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | | -160.8 | -161.7 | 97.1 | 41.6 | -20.3 | 0 | 0 | 0 | 113 | | |
| 240 | P | 43.8 | Very low | 40.2 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | cis | -124 | 161.8 | -27.1 | 21.9 | 0.3 | 0 | 0 | 0 | 113.6 | | |
| 241 | T | 32.1 | Very low | 40.1 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -93.1 | 136 | 162.6 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 242 | T | 34.3 | Very low | 40.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -126.6 | 102.8 | 165.2 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 243 | E | 40 | Very low | 40.3 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | 50.3 | 143.1 | 133.9 | -38.9 | -151.4 | 166.7 | 0 | 0 | 122.7 | | |
| 244 | D | 35.1 | Very low | 40.5 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | 89.7 | 104 | 157.3 | -59.7 | -32.9 | 0 | 0 | 0 | 121.6 | | |
| 245 | N | 33.3 | Very low | 40.5 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | | 49.9 | 105.8 | 126.7 | -120.2 | -65 | 0 | 0 | 0 | 119.5 | | |
| 246 | V | 38.3 | Very low | 40.5 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 81% | 0.805 | S | S | * | * | | | | 156.3 | 136 | 110.8 | -74.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 247 | E | 42.9 | Very low | 40.5 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | 53.3 | 125.6 | 152.5 | -57 | 172.7 | 163.6 | 0 | 0 | 117.7 | | |
| 248 | D | 38.4 | Very low | 40.9 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -173.6 | 156.6 | 50.7 | -146.3 | -13.6 | 0 | 0 | 0 | 108.8 | | |
| 249 | Q | 45 | Very low | 41.2 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -66 | 137.7 | 175.2 | -75.2 | 169.2 | 69.9 | 0 | 0 | 111.4 | | |
| 250 | V | 41.2 | Very low | 40.8 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | | -169.1 | 130.6 | 126.5 | -85.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 251 | D | 45.5 | Very low | 40.5 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -62.4 | 126.2 | 175.5 | -172.4 | 20.9 | 0 | 0 | 0 | 112.9 | | |
| 252 | L | 40.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -149.5 | 103.1 | 161.2 | -74.6 | -176.8 | 0 | 0 | 0 | 112.6 | | |
| 253 | Q | 44.3 | Very low | 41 | Very low | 174 Ų | 174 | 155.6 Ų | 155.6 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.9 | 168 | -166.1 | 177.2 | 76.4 | 0 | 0 | 112.2 | | |
| 254 | P | 40.1 | Very low | 41.3 | Very low | 104 Ų | 104 | 153.6 Ų | 153.6 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 156.1 | -176.4 | 29 | -35.8 | 0 | 0 | 0 | 114.7 | | |
| 255 | P | 41.2 | Very low | 41.2 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 133.2 | -168.3 | 29.8 | -34.2 | 0 | 0 | 0 | 114.2 | | |
| 256 | V | 46.2 | Very low | 41.4 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -94 | 139.8 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 257 | R | 48.6 | Very low | 41.4 | Very low | 231 Ų | 231 | 161.7 Ų | 161.7 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 154.5 | 178 | -85.1 | 176.2 | -87.9 | 170.1 | -6.2 | 113.4 | | |
| 258 | P | 42.6 | Very low | 41.1 | Very low | 121 Ų | 121 | 161.4 Ų | 161.4 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 151.1 | -175.2 | 33.3 | -34 | 0 | 0 | 0 | 113.8 | | |
| 259 | P | 44.9 | Very low | 41.1 | Very low | 125 Ų | 125 | 162.3 Ų | 162.3 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 155.2 | -179.2 | 35.3 | -32.7 | 0 | 0 | 0 | 114.9 | | |
| 260 | R | 38.4 | Very low | 40.7 | Very low | 247 Ų | 247 | 158.7 Ų | 158.7 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.1 | 170.5 | -96 | 174.1 | 162.3 | 150.8 | -6 | 111.9 | | |
| 261 | S | 36.8 | Very low | 40.5 | Very low | 95 Ų | 95 | 159.3 Ų | 159.3 | 66% | 0.664 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80 | 130.7 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 112 | | |
| 262 | T | 40.3 | Very low | 40.8 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -119.5 | 136.2 | 163.2 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 263 | Y | 37.3 | Very low | 41.4 | Very low | 217 Ų | 217 | 154.8 Ų | 154.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 146.1 | 174.6 | -82.1 | -85.6 | 0 | 0 | 0 | 111.1 | | |
| 264 | P | 47 | Very low | 41 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 154.6 | -179 | 35.7 | -32.2 | 0 | 0 | 0 | 114.2 | | |
| 265 | Q | 33.5 | Very low | 41 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 138.4 | 178.3 | -169 | -174.7 | 3.2 | 0 | 0 | 112.2 | | |
| 266 | Q | 36.6 | Very low | 41.3 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -112.3 | 143.4 | 162.1 | -81.7 | -174.7 | -17.2 | 0 | 0 | 110.6 | | |
| 267 | K | 38 | Very low | 41.4 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -118.3 | 125.4 | -165.9 | -164.2 | -167.8 | -161.3 | -167.4 | 0 | 108.5 | | |
| 268 | I | 36.7 | Very low | 40.7 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -139.3 | 142.2 | 162.1 | -59.6 | -176.5 | 0 | 0 | 0 | 108.8 | | |
| 269 | M | 39.7 | Very low | 40.5 | Very low | 173 Ų | 173 | 155 Ų | 155 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -94.6 | 158.2 | -156.5 | -61.6 | 157 | 69.9 | 0 | 0 | 114.3 | | |
| 270 | A | 35.2 | Very low | 40.1 | Very low | 100 Ų | 100 | 157 Ų | 157 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | 129.6 | 112.3 | 135.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 271 | D | 36.5 | Very low | 40.3 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -84.3 | 178.9 | 154.9 | -73.6 | -34.7 | 0 | 0 | 0 | 109.8 | | |
| 272 | P | 53.7 | Low | 40.4 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | cis | -145.2 | -152.2 | 12.9 | 43.6 | -21 | 0 | 0 | 0 | 113.9 | | |
| 273 | P | 52.8 | Low | 40.3 | Very low | 113 Ų | 113 | 155.2 Ų | 155.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | cis | -132.1 | 154.7 | -25.5 | 25.8 | -3 | 0 | 0 | 0 | 117.3 | | |
| 274 | Y | 34.2 | Very low | 40.6 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | 38.5 | 129 | 132.3 | -131.9 | -102.5 | 0 | 0 | 0 | 125.1 | P276 | Y274-P276 HydrophobicContact CE1-CG 4.25Š|
| 275 | T | 40.7 | Very low | 40 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | | -177.2 | 143.1 | 118.8 | 29.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 276 | P | 46.9 | Very low | 40.4 | Very low | 90 Ų | 90 | 149.7 Ų | 149.7 | 58% | 0.584 | 79% | 0.789 | S | S | * | * | | | trans | -115.7 | -160.6 | 175.7 | 39.4 | -24.5 | 0 | 0 | 0 | 112.7 | Y274 | Y274-P276 HydrophobicContact CE1-CG 4.25Š|
| 277 | P | 49.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | | -117.1 | 178.7 | -76.1 | 37.5 | -21.5 | 0 | 0 | 0 | 112 | | |
| 278 | R | 34.2 | Very low | 40.5 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -141.5 | 108.7 | 163.4 | -133.6 | 178.5 | 176.9 | -171.1 | 0.9 | 114.7 | Y280 | R278-Y280 HydrophobicContact CG-CE2 4.2Å; R278-Y280 PolarHBondContact NE-OH 3.2Å; R278-Y280 PolarHBondContact NH1-OH 3.15Å; R278-Y280 PolarHBondContact NH2-OH 3.15Å |
| 279 | N | 37.4 | Very low | 40.4 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -62.2 | 139.3 | 159.6 | -101 | -32.6 | 0 | 0 | 0 | 110.5 | | |
| 280 | Y | 37.6 | Very low | 40.1 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | | | trans | -132 | 108.5 | 148.9 | -83.8 | -73.1 | 0 | 0 | 0 | 110.9 | R278 | R278-Y280 HydrophobicContact CG-CE2 4.2Å; R278-Y280 PolarHBondContact NE-OH 3.2Å; R278-Y280 PolarHBondContact NH1-OH 3.15Å; R278-Y280 PolarHBondContact NH2-OH 3.15Å |
| 281 | H | 42.1 | Very low | 40.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -74.8 | 131.3 | 158.1 | -135.8 | 48.9 | 0 | 0 | 0 | 108.2 | | |
| 282 | S | 39.4 | Very low | 40.2 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 165.9 | 147.6 | 155.4 | 29.2 | 0 | 0 | 0 | 0 | 108 | | |
| 283 | H | 36.4 | Very low | 39.6 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | cis | 175.4 | 139.2 | -6.8 | 145 | -103.8 | 0 | 0 | 0 | 102.7 | D285 | H283-D285 IonicContact CE1-OD1 3.17Å; H283-D285 PolarHBondContact CE1-OD1 3.33Å; H283-D285 IonicContact CE1-OD2 2.98Å; H283-D285 PolarHBondContact CE1-OD2 3.12Å; H283-D285 IonicContact ND1-OD1 3.89Å; H283-D285 IonicContact ND1-OD2 3.05Å; H283-D285 PolarHBondContact ND1-OD2 3.35Å; H283-D285 IonicContact NE2-OD1 3.96Å; H283-D285 PolarHBondContact O-N 2.97Å |
| 284 | L | 43.6 | Very low | 39.1 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -56.2 | 126.6 | 171.8 | -70.2 | 153.1 | 0 | 0 | 0 | 109.6 | | |
| 285 | D | 34.5 | Very low | 39.3 | Very low | 134 Ų | 134 | 133 Ų | 133 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | trans | -133.1 | 112.1 | 152.1 | -82.8 | -47.8 | 0 | 0 | 0 | 110 | H283 | H283-D285 IonicContact CE1-OD1 3.17Å; H283-D285 PolarHBondContact CE1-OD1 3.33Å; H283-D285 IonicContact CE1-OD2 2.98Å; H283-D285 PolarHBondContact CE1-OD2 3.12Å; H283-D285 IonicContact ND1-OD1 3.89Å; H283-D285 IonicContact ND1-OD2 3.05Å; H283-D285 PolarHBondContact ND1-OD2 3.35Å; H283-D285 IonicContact NE2-OD1 3.96Å; H283-D285 PolarHBondContact O-N 2.97Å |
| 286 | S | 43.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -53.6 | 131.3 | 164.7 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 287 | C | 34.8 | Very low | 39.2 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -134.6 | 92 | 151.4 | 47.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 288 | S | 41.7 | Very low | 38.9 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -79.6 | 131.8 | 154.1 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 289 | F | 34.9 | Very low | 39 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -157.4 | 114.3 | 149.9 | -123.9 | -89.1 | 0 | 0 | 0 | 110.4 | | |
| 290 | S | 33.6 | Very low | 38.9 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | 42.8 | 119.6 | 142 | -56.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 291 | S | 36.9 | Very low | 39.6 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | | 89.2 | 122.6 | 77.6 | -163.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 292 | S | 36.2 | Very low | 39.2 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -164.4 | 107.5 | 143.3 | -82.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 293 | G | 40.9 | Very low | 39 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -94 | 155.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 294 | S | 42 | Very low | 39 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -168.4 | 108 | 159.7 | -68.8 | 0 | 0 | 0 | 0 | 104.3 | | |
| 295 | A | 38.7 | Very low | 38.7 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | | 53.8 | 100.6 | 62.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 296 | A | 40.2 | Very low | 38.9 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -132.9 | 132.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 297 | L | 46.3 | Very low | 38.6 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -123.1 | 158.2 | -161.3 | 154.7 | 152.7 | 0 | 0 | 0 | 109 | | |
| 298 | E | 41.9 | Very low | 38.7 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 68.8 | 148.7 | 166.7 | -88.5 | -177.1 | 137.4 | 0 | 0 | 118.5 | | |
| 299 | E | 36.3 | Very low | 38.7 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | | | cis | -160.1 | 150.7 | 27.8 | -161.4 | -162.2 | 127.2 | 0 | 0 | 110.8 | | |
| 300 | K | 36 | Very low | 39.5 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | | 127 | 137.3 | 129.3 | -141.4 | 171.6 | -163.4 | 93.4 | 0 | 117.4 | | |
| 301 | P | 51.1 | Low | 40 | Very low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | trans | -126 | 174.7 | -149 | 41 | -24.3 | 0 | 0 | 0 | 117.6 | | |
| 302 | L | 35.5 | Very low | 40.2 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 98.2 | 133.2 | 135.6 | -101.5 | 147.2 | 0 | 0 | 0 | 122.9 | | |
| 303 | H | 34.1 | Very low | 40.3 | Very low | 168 Ų | 168 | 135 Ų | 135 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | trans | 86.5 | 130.3 | 168.4 | -54.3 | -77.9 | 0 | 0 | 0 | 115.9 | | |
| 304 | H | 36.8 | Very low | 40.1 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | cis | -162.9 | 153.7 | 33.8 | -178.7 | 64.2 | 0 | 0 | 0 | 111.1 | | |
| 305 | L | 37.7 | Very low | 40.1 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -67.3 | 165.2 | -178.2 | -92.9 | 113.9 | 0 | 0 | 0 | 115.1 | | |
| 306 | Q | 39.1 | Very low | 40.2 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | 142.1 | 93.7 | 133.3 | -160.9 | 156 | 18.3 | 0 | 0 | 110.5 | | |
| 307 | E | 35.6 | Very low | 40.4 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | | 62.8 | 119.5 | 80.6 | -155.3 | 174.3 | -135.3 | 0 | 0 | 113.4 | | |
| 308 | G | 37.3 | Very low | 40.5 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 167 | 62.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 309 | D | 42.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -76.1 | 124.3 | 165 | -134.9 | -4.5 | 0 | 0 | 0 | 108.6 | | |
| 310 | T | 50.8 | Low | 40.2 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | trans | -147.4 | 113 | 160.6 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 311 | D | 43.6 | Very low | 40 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | -81.8 | 154.7 | 169.4 | -171.8 | 10 | 0 | 0 | 0 | 111.7 | | |
| 312 | S | 42.5 | Very low | 39.3 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | 66.5 | 122 | 150.2 | 71 | 0 | 0 | 0 | 0 | 123.1 | | |
| 313 | A | 37.2 | Very low | 39.9 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -175.8 | 105.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 314 | K | 38.1 | Very low | 40.6 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | | 65.8 | 115.4 | 95.1 | -83.3 | -156.3 | 179.5 | -175.3 | 0 | 118.1 | | |
| 315 | Y | 42.1 | Very low | 41.2 | Very low | 217 Ų | 217 | 137.5 Ų | 137.5 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | | | trans | 46.3 | 124.2 | 136.1 | -87.7 | -97.4 | 0 | 0 | 0 | 121.2 | | |
| 316 | S | 39 | Very low | 41.8 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | | 176.6 | 133.4 | 109 | -73.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 317 | S | 44.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -106.3 | 154.5 | 148.3 | -53.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 318 | P | 49.5 | Very low | 42.8 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | | | | -158.8 | 175.2 | 77.8 | 38.9 | -16.6 | 0 | 0 | 0 | 117.2 | | |
| 319 | G | 34.8 | Very low | 43.6 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | trans | 155.8 | 95.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 320 | V | 37 | Very low | 43.9 | Very low | 155 Ų | 155 | 142 Ų | 142 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | | | | 64.5 | 113 | 76.7 | -178.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 321 | G | 32.5 | Very low | 44.1 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | 135.9 | 111.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 322 | G | 36.2 | Very low | 44.5 | Very low | 76 Ų | 76 | 142.2 Ų | 142.2 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | 139.7 | 66.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 323 | E | 47.9 | Very low | 45 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -54.7 | 146.7 | 156.1 | 59.2 | -154.5 | 118.5 | 0 | 0 | 111.7 | | |
| 324 | D | 48.5 | Very low | 45.6 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | | | trans | 177.6 | 75.1 | 147.3 | -79.7 | -25.3 | 0 | 0 | 0 | 110.6 | | |
| 325 | D | 49.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | | | trans | -93.5 | 112.3 | 157.7 | -76 | -45.6 | 0 | 0 | 0 | 108.1 | | |
| 326 | K | 50.6 | Low | 47.3 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -142.5 | 109.9 | 163.1 | -78.8 | -174.8 | -178.9 | 161.8 | 0 | 111.5 | | |
| 327 | D | 51.8 | Low | 48.6 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | | | trans | -14.5 | 141.2 | 152.1 | -52.2 | -60.5 | 0 | 0 | 0 | 117 | | |
| 328 | F | 44.4 | Very low | 49.1 | Very low | 201 Ų | 201 | 146 Ų | 146 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -179.3 | 97.2 | 138.4 | -76.9 | -58.4 | 0 | 0 | 0 | 107.5 | | |
| 329 | S | 54.2 | Low | 49.4 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | 107.6 | 105.2 | 86.4 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 330 | F | 46.8 | Very low | 50.6 | Low | 189 Ų | 189 | 156.3 Ų | 156.3 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | | | trans | -53 | 124.3 | 154.4 | 172 | -90.5 | 0 | 0 | 0 | 110.1 | | |
| 331 | M | 55.1 | Low | 51.3 | Low | 151 Ų | 151 | 156.4 Ų | 156.4 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | | | trans | 173.5 | 121.7 | 150.2 | -92.5 | -49.9 | 168.9 | 0 | 0 | 109.5 | | |
| 332 | D | 53.7 | Low | 52.3 | Low | 143 Ų | 143 | 160.4 Ų | 160.4 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | | | trans | 173.7 | 99.2 | 134.4 | -93.2 | -7.2 | 0 | 0 | 0 | 106 | | |
| 333 | E | 52.1 | Low | 53.2 | Low | 160 Ų | 160 | 165.1 Ų | 165.1 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | | 76.1 | 89.7 | 84.3 | -163.8 | 167.8 | -124.3 | 0 | 0 | 108.4 | | |
| 334 | D | 50.3 | Low | 53.5 | Low | 145 Ų | 145 | 164.5 Ų | 164.5 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | | | | 80.2 | 150.6 | 95.6 | -71.3 | -49.1 | 0 | 0 | 0 | 113.2 | | |
| 335 | E | 54.5 | Low | 53.8 | Low | 178 Ų | 178 | 165 Ų | 165 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | 76.9 | 123.7 | 171.8 | -78 | 174.6 | 169.1 | 0 | 0 | 116.8 | | |
| 336 | D | 60.9 | Low | 54.1 | Low | 141 Ų | 141 | 164.7 Ų | 164.7 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | | | cis | -150.8 | 124.8 | 38.4 | -80.2 | -54.1 | 0 | 0 | 0 | 114.7 | | |
| 337 | E | 65.6 | Low | 54.4 | Low | 138 Ų | 138 | 162.9 Ų | 162.9 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | | | trans | 18.6 | 109.3 | 135.6 | -151.5 | 174.2 | -160.6 | 0 | 0 | 121.3 | R339 | E337-R339 HydrophobicContact CG-CG 4.37Å; E337-R339 IonicContact OE1-NE 3.96Å; E337-R339 IonicContact OE2-CZ 3.44Å; E337-R339 IonicContact OE2-NE 3.49Å; E337-R339 PolarHBondContact OE2-NE 2.74Å; E337-R339 IonicContact OE2-NH2 2.74Å; E337-R339 PolarHBondContact OE2-NH2 3.49Å |
| 338 | I | 54.5 | Low | 54.6 | Low | 163 Ų | 163 | 164.2 Ų | 164.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | -67.8 | 125.9 | 152.4 | 32.1 | 170.3 | 0 | 0 | 0 | 110.8 | | |
| 339 | R | 56.2 | Low | 55.4 | Low | 206 Ų | 206 | 161.2 Ų | 161.2 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -109.8 | 127.4 | 164.4 | -69.2 | -171.2 | -176.9 | 133.2 | 9.1 | 110.7 | E337 | E337-R339 HydrophobicContact CG-CG 4.37Å; E337-R339 IonicContact OE1-NE 3.96Å; E337-R339 IonicContact OE2-CZ 3.44Å; E337-R339 IonicContact OE2-NE 3.49Å; E337-R339 PolarHBondContact OE2-NE 2.74Å; E337-R339 IonicContact OE2-NH2 2.74Å; E337-R339 PolarHBondContact OE2-NH2 3.49Å |
| 340 | V | 60.9 | Low | 55.5 | Low | 213 Ų | 213 | 166.1 Ų | 166.1 | 100% | 1.291 | 82% | 0.818 | S | S | * | * | | | trans | -76 | 0 | 178.3 | -172 | 0 | 0 | 0 | 0 | 110.4 | | |