| 1 | M | 37 | Very low | 62.1 | Low | 234 Ų | 234 | 134.5 Ų | 134.5 | 100% | 1.153 | 72% | 0.721 | S | S | * | * | | | | 0 | 115.1 | 0 | -69.4 | -161.5 | 162.3 | 0 | 0 | 107.6 | L3 | M1-L3 PolarHBondContact O-N 3Š|
| 2 | P | 44.5 | Very low | 64.3 | Low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 69% | 0.693 | S | S | * | * | | | trans | -74.4 | 120.8 | -179.5 | 19.2 | -11.4 | 0 | 0 | 0 | 108.5 | S4 | P2-S4 PolarHBondContact O-N 3.43Š|
| 3 | L | 48.6 | Very low | 66 | Low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 67% | 0.674 | S | S | * | * | | | trans | -52 | 105.2 | 174.9 | -79.4 | 155.5 | 0 | 0 | 0 | 108.2 | M1 N5 | M1-L3 PolarHBondContact O-N 3Å; L3-N5 PolarHBondContact O-N 3.33Å |
| 4 | S | 53.2 | Low | 67.4 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | | | trans | -53.3 | 130.4 | 178.1 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | P2 F6 | P2-S4 PolarHBondContact O-N 3.43Å; S4-F6 WeakPolarHBondContact O-CD2 3.49Å; S4-F6 PolarHBondContact O-N 3.32Å; S4-F6 WeakPolarHBondContact OG-CD2 3.25Å; S4-F6 WeakPolarHBondContact OG-CE2 3.37Å |
| 5 | N | 56.5 | Low | 69 | Low | 166 Ų | 166 | 125.7 Ų | 125.7 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | | | trans | -57.8 | 68.6 | 172.6 | -70.2 | -45.8 | 0 | 0 | 0 | 111.1 | L3 P7 | L3-N5 PolarHBondContact O-N 3.33Å; N5-P7 WeakPolarHBondContact O-CD 3.45Å |
| 6 | F | 56.9 | Low | 70.3 | Confident | 167 Ų | 167 | 122.9 Ų | 122.9 | 73% | 0.732 | 65% | 0.647 | S | S | * | * | | | trans | -65.8 | 124 | 168.6 | -77.3 | -72.2 | 0 | 0 | 0 | 107 | S4 L8 | S4-F6 WeakPolarHBondContact O-CD2 3.49Å; S4-F6 PolarHBondContact O-N 3.32Å; S4-F6 WeakPolarHBondContact OG-CD2 3.25Å; S4-F6 WeakPolarHBondContact OG-CE2 3.37Å; F6-L8 PolarHBondContact O-N 3.27Å |
| 7 | P | 68.2 | Low | 71.5 | Confident | 112 Ų | 112 | 121.4 Ų | 121.4 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | | | trans | -62.7 | 111.5 | 177.8 | 25.3 | -31.9 | 0 | 0 | 0 | 107.8 | N5 S9 | N5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-S9 PolarHBondContact O-N 3Å |
| 8 | L | 73.2 | Confident | 72.4 | Confident | 77 Ų | 77 | 118.4 Ų | 118.4 | 40% | 0.403 | 63% | 0.629 | S | S | . | * | | | trans | -53.7 | 127.8 | 172 | -70.5 | 162.4 | 0 | 0 | 0 | 108.2 | F6 E12 K13 I16 | F6-L8 PolarHBondContact O-N 3.27Å; L8-E12 WeakPolarHBondContact CA-OE2 3.32Å; L8-E12 HydrophobicContact CB-CB 4Å; L8-E12 HydrophobicContact CD2-CB 3.71Å; L8-E12 HydrophobicContact CD2-CG 4.26Å; L8-E12 HydrophobicContact CG-CB 4.41Å; L8-K13 HydrophobicContact CB-CG 3.75Å; L8-K13 WeakPolarHBondContact O-CE 3.45Å; L8-K13 PolarHBondContact O-NZ 3.22Å; L8-I16 HydrophobicContact CD1-CD1 3.59Å; L8-I16 HydrophobicContact CD2-CD1 4.43Å |
| 9 | S | 77.1 | Confident | 73.4 | Confident | 52 Ų | 52 | 118.8 Ų | 118.8 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | | | trans | -54.7 | 154.2 | 171.3 | 63.4 | 0 | 0 | 0 | 0 | 109.6 | P7 R11 E12 K13 | P7-S9 PolarHBondContact O-N 3Å; S9-R11 PolarHBondContact O-N 3.27Å; S9-E12 WeakPolarHBondContact CB-OE2 3.49Å; S9-E12 PolarHBondContact N-OE2 2.82Å; S9-E12 PolarHBondContact O-N 3.14Å; S9-E12 VanDerWaalsContact OG-CD 3.3Å; S9-E12 WeakPolarHBondContact OG-CG 3.32Å; S9-E12 PolarHBondContact OG-N 3.4Å; S9-E12 PolarHBondContact OG-OE2 3.24Å; S9-K13 PolarHBondContact O-N 3.03Å |
| 10 | C | 82.3 | Confident | 74.3 | Confident | 97 Ų | 97 | 116.7 Ų | 116.7 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.1 | -32.5 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | N14 | C10-N14 WeakPolarHBondContact O-CB 3.25Å; C10-N14 PolarHBondContact O-N 3.27Å; C10-N14 PolarHBondContact O-ND2 2.81Å; C10-N14 PolarHBondContact O-OD1 3.11Å |
| 11 | R | 85.4 | Confident | 74.8 | Confident | 200 Ų | 200 | 114.3 Ų | 114.3 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.4 | -48.1 | 174.9 | -172.1 | 179.8 | 70.9 | -169.2 | 2.5 | 112.4 | S9 N14 L15 | S9-R11 PolarHBondContact O-N 3.27Å; R11-N14 PolarHBondContact O-N 2.93Å; R11-L15 PolarHBondContact O-N 2.89Å |
| 12 | E | 88.4 | Confident | 77.1 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 38% | 0.383 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | 179.8 | -69.6 | 159.9 | 142.6 | 0 | 0 | 111.5 | L8 S9 N14 L15 I16 | L8-E12 WeakPolarHBondContact CA-OE2 3.32Å; L8-E12 HydrophobicContact CB-CB 4Å; L8-E12 HydrophobicContact CD2-CB 3.71Å; L8-E12 HydrophobicContact CD2-CG 4.26Å; L8-E12 HydrophobicContact CG-CB 4.41Å; S9-E12 WeakPolarHBondContact CB-OE2 3.49Å; S9-E12 PolarHBondContact N-OE2 2.82Å; S9-E12 PolarHBondContact O-N 3.14Å; S9-E12 VanDerWaalsContact OG-CD 3.3Å; S9-E12 WeakPolarHBondContact OG-CG 3.32Å; S9-E12 PolarHBondContact OG-N 3.4Å; S9-E12 PolarHBondContact OG-OE2 3.24Å; E12-N14 VanDerWaalsContact C-N 3.34Å; E12-N14 PolarHBondContact O-N 3.47Å; E12-L15 PolarHBondContact O-N 2.7Å; E12-I16 WeakPolarHBondContact O-CG1 3.45Å; E12-I16 PolarHBondContact O-N 3.18Å |
| 13 | K | 86.1 | Confident | 78.8 | Confident | 102 Ų | 102 | 103 Ų | 103 | 44% | 0.443 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.3 | -45.5 | 173.9 | -69.1 | 176.6 | 176.8 | 164.6 | 0 | 111.4 | L8 S9 L15 I16 I17 | L8-K13 HydrophobicContact CB-CG 3.75Å; L8-K13 WeakPolarHBondContact O-CE 3.45Å; L8-K13 PolarHBondContact O-NZ 3.22Å; S9-K13 PolarHBondContact O-N 3.03Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.12Å; K13-I16 PolarHBondContact O-N 3.3Å; K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.2Å; K13-I17 WeakPolarHBondContact O-CG1 3.44Å; K13-I17 PolarHBondContact O-N 3.42Å |
| 14 | N | 86.7 | Confident | 80.3 | Confident | 98 Ų | 98 | 99.2 Ų | 99.2 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 178.6 | -71.7 | -9.9 | 0 | 0 | 0 | 112.6 | C10 R11 E12 S18 | C10-N14 WeakPolarHBondContact O-CB 3.25Å; C10-N14 PolarHBondContact O-N 3.27Å; C10-N14 PolarHBondContact O-ND2 2.81Å; C10-N14 PolarHBondContact O-OD1 3.11Å; R11-N14 PolarHBondContact O-N 2.93Å; E12-N14 VanDerWaalsContact C-N 3.34Å; E12-N14 PolarHBondContact O-N 3.47Å; N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.33Å; N14-S18 PolarHBondContact O-OG 3.35Å |
| 15 | L | 90.9 | Very high | 81.4 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.3 | -47.6 | 175.1 | 179.9 | 63.5 | 0 | 0 | 0 | 111.2 | R11 E12 K13 S18 L19 | R11-L15 PolarHBondContact O-N 2.89Å; E12-L15 PolarHBondContact O-N 2.7Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.12Å; L15-S18 PolarHBondContact O-N 2.86Å; L15-L19 PolarHBondContact O-N 2.71Å |
| 16 | I | 89.7 | Confident | 82.1 | Confident | 80 Ų | 80 | 96.3 Ų | 96.3 | 41% | 0.41 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 178.6 | -66.8 | 162.7 | 0 | 0 | 0 | 110.6 | L8 E12 K13 S18 L19 V20 | L8-I16 HydrophobicContact CD1-CD1 3.59Å; L8-I16 HydrophobicContact CD2-CD1 4.43Å; E12-I16 WeakPolarHBondContact O-CG1 3.45Å; E12-I16 PolarHBondContact O-N 3.18Å; K13-I16 PolarHBondContact O-N 3.3Å; I16-S18 VanDerWaalsContact C-N 3.29Å; I16-S18 PolarHBondContact O-N 3.37Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 WeakPolarHBondContact O-CB 3.47Å; I16-V20 VanDerWaalsContact O-CG2 3.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.32Å; I16-V20 PolarHBondContact O-N 3.35Å |
| 17 | I | 90.8 | Very high | 82.4 | Confident | 98 Ų | 98 | 93.3 Ų | 93.3 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 176.7 | -69.3 | 162.8 | 0 | 0 | 0 | 110.6 | K13 S21 | K13-I17 WeakPolarHBondContact O-CB 3.39Å; K13-I17 WeakPolarHBondContact O-CD1 3.2Å; K13-I17 WeakPolarHBondContact O-CG1 3.44Å; K13-I17 PolarHBondContact O-N 3.42Å; I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 3.34Å; I17-S21 PolarHBondContact O-OG 3.47Å |
| 18 | S | 88.5 | Confident | 82 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | -179.9 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | N14 L15 I16 S21 T22 | N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.33Å; N14-S18 PolarHBondContact O-OG 3.35Å; L15-S18 PolarHBondContact O-N 2.86Å; I16-S18 VanDerWaalsContact C-N 3.29Å; I16-S18 PolarHBondContact O-N 3.37Å; S18-S21 PolarHBondContact O-N 3.27Å; S18-T22 WeakPolarHBondContact O-CB 3.37Å; S18-T22 PolarHBondContact O-N 3.28Å; S18-T22 PolarHBondContact O-OG1 3.3Å |
| 19 | L | 90.8 | Very high | 81.4 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 178.1 | -173.5 | 66 | 0 | 0 | 0 | 111.8 | L15 I16 T22 A23 | L15-L19 PolarHBondContact O-N 2.71Å; I16-L19 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-N 3.19Å; L19-A23 PolarHBondContact O-N 3Å |
| 20 | V | 91.2 | Very high | 80.4 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | I16 T22 A23 L24 | I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 WeakPolarHBondContact O-CB 3.47Å; I16-V20 VanDerWaalsContact O-CG2 3.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.32Å; I16-V20 PolarHBondContact O-N 3.35Å; V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 PolarHBondContact O-N 3.03Å; V20-A23 PolarHBondContact O-N 3.46Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.34Å; V20-L24 WeakPolarHBondContact O-CB 3.14Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.84Å |
| 21 | S | 85.2 | Confident | 79.2 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 177 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | I17 S18 S25 | I17-S21 VanDerWaalsContact O-CB 3.25Å; I17-S21 WeakPolarHBondContact O-CB 3.43Å; I17-S21 PolarHBondContact O-N 3.34Å; I17-S21 PolarHBondContact O-OG 3.47Å; S18-S21 PolarHBondContact O-N 3.27Å; S21-S25 VanDerWaalsContact O-CB 3.32Å; S21-S25 WeakPolarHBondContact O-CB 3.35Å; S21-S25 PolarHBondContact O-N 3.22Å |
| 22 | T | 84.4 | Confident | 77.8 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.9 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | S18 L19 V20 L24 S25 H26 | S18-T22 WeakPolarHBondContact O-CB 3.37Å; S18-T22 PolarHBondContact O-N 3.28Å; S18-T22 PolarHBondContact O-OG1 3.3Å; L19-T22 PolarHBondContact O-N 3.19Å; V20-T22 VanDerWaalsContact C-N 3.31Å; V20-T22 PolarHBondContact O-N 3.03Å; T22-L24 PolarHBondContact O-N 3.43Å; T22-S25 PolarHBondContact O-N 2.91Å; T22-H26 PolarHBondContact O-CD2 3.5Å; T22-H26 PolarHBondContact O-N 2.81Å |
| 23 | A | 81.1 | Confident | 76.3 | Confident | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L19 V20 H26 Q27 | L19-A23 PolarHBondContact O-N 3Å; V20-A23 PolarHBondContact O-N 3.46Å; A23-H26 PolarHBondContact O-N 2.94Å; A23-Q27 PolarHBondContact O-N 3.06Å |
| 24 | L | 79.6 | Confident | 74.8 | Confident | 91 Ų | 91 | 104.1 Ų | 104.1 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.5 | -68 | 175.9 | 0 | 0 | 0 | 112.6 | V20 T22 H26 Q27 N28 | V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.34Å; V20-L24 WeakPolarHBondContact O-CB 3.14Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 2.84Å; T22-L24 PolarHBondContact O-N 3.43Å; L24-H26 PolarHBondContact O-N 3.35Å; L24-Q27 WeakPolarHBondContact O-CB 3.42Å; L24-Q27 PolarHBondContact O-N 3.24Å; L24-N28 PolarHBondContact O-N 3.39Å |
| 25 | S | 76.9 | Confident | 73.2 | Confident | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.6 | -38.9 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | S21 T22 Q27 N28 | S21-S25 VanDerWaalsContact O-CB 3.32Å; S21-S25 WeakPolarHBondContact O-CB 3.35Å; S21-S25 PolarHBondContact O-N 3.22Å; T22-S25 PolarHBondContact O-N 2.91Å; S25-Q27 VanDerWaalsContact C-N 3.33Å; S25-Q27 PolarHBondContact O-N 3.41Å; S25-N28 PolarHBondContact O-N 2.97Å |
| 26 | H | 70.3 | Confident | 71 | Confident | 107 Ų | 107 | 106.3 Ų | 106.3 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.3 | -24.3 | 176.7 | -61.9 | 177.2 | 0 | 0 | 0 | 113.2 | T22 A23 L24 M29 Y30 | T22-H26 PolarHBondContact O-CD2 3.5Å; T22-H26 PolarHBondContact O-N 2.81Å; A23-H26 PolarHBondContact O-N 2.94Å; L24-H26 PolarHBondContact O-N 3.35Å; H26-M29 HydrophobicContact CB-CE 4.43Å; H26-M29 PolarHBondContact O-N 3.2Å; H26-Y30 PolarHBondContact O-N 2.76Å |
| 27 | Q | 64.3 | Low | 68.9 | Low | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -35.8 | 174.6 | -73.2 | -177.7 | -11 | 0 | 0 | 112.2 | A23 L24 S25 M29 Y30 F31 | A23-Q27 PolarHBondContact O-N 3.06Å; L24-Q27 WeakPolarHBondContact O-CB 3.42Å; L24-Q27 PolarHBondContact O-N 3.24Å; S25-Q27 VanDerWaalsContact C-N 3.33Å; S25-Q27 PolarHBondContact O-N 3.41Å; Q27-M29 VanDerWaalsContact C-N 3.27Å; Q27-M29 PolarHBondContact O-N 3.01Å; Q27-Y30 PolarHBondContact O-N 3.18Å; Q27-F31 WeakPolarHBondContact O-CD2 3.48Å; Q27-F31 PolarHBondContact O-N 3.34Å |
| 28 | N | 60.2 | Low | 66.6 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 56% | 0.556 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.5 | -40.6 | 174.8 | -75.7 | 3.9 | 0 | 0 | 0 | 111.2 | L24 S25 Y30 F31 D32 | L24-N28 PolarHBondContact O-N 3.39Å; S25-N28 PolarHBondContact O-N 2.97Å; N28-Y30 PolarHBondContact O-N 3.46Å; N28-F31 PolarHBondContact O-N 2.99Å; N28-D32 VanDerWaalsContact O-CB 3.25Å; N28-D32 WeakPolarHBondContact O-CB 3.38Å; N28-D32 PolarHBondContact O-N 3.47Å |
| 29 | M | 59.1 | Low | 64.3 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 61% | 0.606 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.7 | -31.3 | 175.6 | -63.5 | -166.7 | -53.4 | 0 | 0 | 113.3 | H26 Q27 T33 | H26-M29 HydrophobicContact CB-CE 4.43Å; H26-M29 PolarHBondContact O-N 3.2Å; Q27-M29 VanDerWaalsContact C-N 3.27Å; Q27-M29 PolarHBondContact O-N 3.01Å; M29-T33 WeakPolarHBondContact O-CG2 3.41Å; M29-T33 PolarHBondContact O-OG1 2.99Å |
| 30 | Y | 57.5 | Low | 62.1 | Low | 173 Ų | 173 | 114 Ų | 114 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.3 | -32.3 | -178.4 | -169.1 | -99.6 | 0 | 0 | 0 | 112.8 | H26 Q27 N28 T33 | H26-Y30 PolarHBondContact O-N 2.76Å; Q27-Y30 PolarHBondContact O-N 3.18Å; N28-Y30 PolarHBondContact O-N 3.46Å; Y30-T33 PolarHBondContact O-OG1 3.29Å |
| 31 | F | 57 | Low | 59.8 | Low | 140 Ų | 140 | 120.8 Ų | 120.8 | 61% | 0.614 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -96.5 | -31.3 | -179.9 | -66.7 | -69.3 | 0 | 0 | 0 | 113.9 | Q27 N28 T33 K34 | Q27-F31 WeakPolarHBondContact O-CD2 3.48Å; Q27-F31 PolarHBondContact O-N 3.34Å; N28-F31 PolarHBondContact O-N 2.99Å; F31-T33 VanDerWaalsContact C-N 3.26Å; F31-T33 PolarHBondContact O-N 3.42Å; F31-K34 PolarHBondContact O-N 2.86Å |
| 32 | D | 56.2 | Low | 57.8 | Low | 113 Ų | 113 | 126.4 Ų | 126.4 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.9 | -24.1 | -179.8 | -73.8 | -21.7 | 0 | 0 | 0 | 112.6 | N28 K34 | N28-D32 VanDerWaalsContact O-CB 3.25Å; N28-D32 WeakPolarHBondContact O-CB 3.38Å; N28-D32 PolarHBondContact O-N 3.47Å; D32-K34 PolarHBondContact O-N 2.7Å |
| 33 | T | 55.7 | Low | 55.9 | Low | 111 Ų | 111 | 127 Ų | 127 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.1 | 177.5 | 43 | 0 | 0 | 0 | 0 | 114.1 | M29 Y30 F31 | M29-T33 WeakPolarHBondContact O-CG2 3.41Å; M29-T33 PolarHBondContact O-OG1 2.99Å; Y30-T33 PolarHBondContact O-OG1 3.29Å; F31-T33 VanDerWaalsContact C-N 3.26Å; F31-T33 PolarHBondContact O-N 3.42Å |
| 34 | K | 55.1 | Low | 53.9 | Low | 185 Ų | 185 | 130.6 Ų | 130.6 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -1.2 | 179.1 | -71.1 | -74.1 | -178.2 | 178.7 | 0 | 114.7 | F31 D32 | F31-K34 PolarHBondContact O-N 2.86Å; D32-K34 PolarHBondContact O-N 2.7Å |
| 35 | Q | 52.3 | Low | 52.4 | Low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -126.4 | 11.9 | -174.9 | -130.6 | -178.6 | 72.1 | 0 | 0 | 116.9 | | |
| 36 | T | 45.8 | Very low | 50.6 | Low | 88 Ų | 88 | 135 Ų | 135 | 54% | 0.54 | 68% | 0.682 | S | S | . | * | | | trans | -120 | 72.6 | 161.9 | -46.9 | 0 | 0 | 0 | 0 | 108.8 | D38 Y40 | T36-D38 PolarHBondContact O-N 3.47Å; T36-Y40 HydrophobicContact CG2-CE2 4.26Å |
| 37 | G | 44.5 | Very low | 49.3 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | trans | -65.9 | 93.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 38 | D | 42.9 | Very low | 48.2 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 176.9 | 107.7 | 146.6 | -83.6 | -22.5 | 0 | 0 | 0 | 108.5 | T36 | T36-D38 PolarHBondContact O-N 3.47Š|
| 39 | N | 40.4 | Very low | 47.1 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | 63.3 | 56.8 | 153.6 | -52.8 | -32.4 | 0 | 0 | 0 | 118.5 | Y41 | N39-Y41 PolarHBondContact O-N 3.35Š|
| 40 | Y | 43.6 | Very low | 46.2 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -81 | 102.5 | 154.7 | -78.1 | -83.4 | 0 | 0 | 0 | 109.7 | T36 K42 | T36-Y40 HydrophobicContact CG2-CE2 4.26Å; Y40-K42 PolarHBondContact O-N 2.9Å |
| 41 | Y | 43.7 | Very low | 45.2 | Very low | 220 Ų | 220 | 146 Ų | 146 | 86% | 0.863 | 74% | 0.742 | S | S | * | * | | | trans | -42.7 | 111.5 | 163.6 | -71.6 | -91.4 | 0 | 0 | 0 | 109.1 | N39 A43 | N39-Y41 PolarHBondContact O-N 3.35Å; Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.28Å |
| 42 | K | 43.3 | Very low | 44.4 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -52 | 96.5 | 172.9 | -173.2 | 173.8 | -178.8 | -179.6 | 0 | 108.2 | Y40 N44 | Y40-K42 PolarHBondContact O-N 2.9Å; K42-N44 PolarHBondContact O-N 2.98Å |
| 43 | A | 44.2 | Very low | 43.6 | Very low | 85 Ų | 85 | 152.5 Ų | 152.5 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -65.1 | 107.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | Y41 T45 | Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.28Å; A43-T45 VanDerWaalsContact C-N 3.34Å; A43-T45 PolarHBondContact O-N 3.28Å |
| 44 | N | 39.5 | Very low | 42.8 | Very low | 130 Ų | 130 | 157 Ų | 157 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -57.9 | 95.1 | 176.8 | -63.5 | -42 | 0 | 0 | 0 | 108.9 | K42 D46 | K42-N44 PolarHBondContact O-N 2.98Å; N44-D46 VanDerWaalsContact C-N 3.27Å; N44-D46 PolarHBondContact O-N 3.28Å |
| 45 | T | 47.9 | Very low | 42 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | -79.3 | 91.3 | 156.1 | 48.6 | 0 | 0 | 0 | 0 | 106.3 | A43 T47 | A43-T45 VanDerWaalsContact C-N 3.34Å; A43-T45 PolarHBondContact O-N 3.28Å; T45-T47 VanDerWaalsContact C-N 3.35Å; T45-T47 PolarHBondContact O-N 3.04Å; T45-T47 PolarHBondContact O-OG1 2.75Å |
| 46 | D | 38.4 | Very low | 41.3 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | trans | -44.9 | 94.1 | 169.9 | -68.1 | -47.5 | 0 | 0 | 0 | 110.6 | N44 | N44-D46 VanDerWaalsContact C-N 3.27Å; N44-D46 PolarHBondContact O-N 3.28Å |
| 47 | T | 43.8 | Very low | 41 | Very low | 122 Ų | 122 | 154.2 Ų | 154.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -138.3 | 110.7 | 170.7 | 21.3 | 0 | 0 | 0 | 0 | 109.2 | T45 | T45-T47 VanDerWaalsContact C-N 3.35Å; T45-T47 PolarHBondContact O-N 3.04Å; T45-T47 PolarHBondContact O-OG1 2.75Å |
| 48 | N | 41.1 | Very low | 40.7 | Very low | 156 Ų | 156 | 158.1 Ų | 158.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | 84.1 | 90 | 166.9 | -114.7 | -36.1 | 0 | 0 | 0 | 118.5 | S50 | N48-S50 PolarHBondContact O-N 2.96Š|
| 49 | W | 36.1 | Very low | 40.3 | Very low | 230 Ų | 230 | 158.9 Ų | 158.9 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | | | trans | -65.5 | 103.4 | 164.4 | -64.9 | 73 | 0 | 0 | 0 | 110.9 | | |
| 50 | S | 41.4 | Very low | 40.5 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -151.2 | 74.4 | 155 | -94.8 | 0 | 0 | 0 | 0 | 111 | N48 R52 | N48-S50 PolarHBondContact O-N 2.96Å; S50-R52 PolarHBondContact O-N 2.97Å; S50-R52 VanDerWaalsContact O-N 3.12Å |
| 51 | R | 37.1 | Very low | 40.3 | Very low | 220 Ų | 220 | 153.9 Ų | 153.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -68.9 | 99.6 | 162.5 | -179 | -175.9 | -71.9 | 166.1 | -3.7 | 108.3 | E53 | R51-E53 HydrophobicContact CG-CG 4.5Š|
| 52 | R | 39.1 | Very low | 40 | Very low | 244 Ų | 244 | 151.8 Ų | 151.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -113.3 | 87.8 | 151 | -85.4 | -173.1 | 176.1 | -169.9 | 0.5 | 108 | S50 K54 | S50-R52 PolarHBondContact O-N 2.97Å; S50-R52 VanDerWaalsContact O-N 3.12Å; R52-K54 PolarHBondContact O-N 3.28Å |
| 53 | E | 38.8 | Very low | 39.8 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -67.4 | 115.8 | 157.4 | -87.3 | 174.6 | 145.2 | 0 | 0 | 108.5 | R51 | R51-E53 HydrophobicContact CG-CG 4.5Š|
| 54 | K | 39.1 | Very low | 39.5 | Very low | 206 Ų | 206 | 154.7 Ų | 154.7 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | | | trans | -142 | 78 | 142.2 | -76.5 | -159.7 | 176.3 | -173 | 0 | 107.7 | R52 S56 | R52-K54 PolarHBondContact O-N 3.28Å; K54-S56 PolarHBondContact O-N 3.26Å |
| 55 | L | 39.2 | Very low | 39.5 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 104.5 | 159.1 | -74.1 | 162 | 0 | 0 | 0 | 106.9 | | |
| 56 | S | 38.4 | Very low | 39.3 | Very low | 100 Ų | 100 | 155 Ų | 155 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | -123.5 | 97 | 166.4 | 172.9 | 0 | 0 | 0 | 0 | 106.5 | K54 N58 | K54-S56 PolarHBondContact O-N 3.26Å; S56-N58 PolarHBondContact O-N 3.38Å |
| 57 | N | 37.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 156.5 Ų | 156.5 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | | | trans | -54.1 | 119 | 176.9 | -54.3 | -43.9 | 0 | 0 | 0 | 110 | | |
| 58 | N | 39.9 | Very low | 39.8 | Very low | 151 Ų | 151 | 157.9 Ų | 157.9 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -127.5 | 118.3 | 157.6 | -87.3 | -20.7 | 0 | 0 | 0 | 107.4 | S56 | S56-N58 PolarHBondContact O-N 3.38Š|
| 59 | D | 34 | Very low | 40.3 | Very low | 146 Ų | 146 | 159 Ų | 159 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | -16.8 | 149.7 | -176.2 | -73.2 | -62.7 | 0 | 0 | 0 | 122.7 | S61 | D59-S61 PolarHBondContact O-N 3.38Š|
| 60 | P | 44.7 | Very low | 41 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -85.2 | 105.1 | 175.6 | 34.3 | -28.6 | 0 | 0 | 0 | 110.9 | | |
| 61 | S | 39.3 | Very low | 41.8 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -100.3 | 111 | 166.5 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | D59 | D59-S61 PolarHBondContact O-N 3.38Š|
| 62 | L | 37 | Very low | 42.8 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | -36.2 | 121.9 | 162.9 | -81.7 | 143.6 | 0 | 0 | 0 | 114.9 | | |
| 63 | N | 38.7 | Very low | 43.8 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -175.8 | 96.7 | 144.1 | 43.2 | -4.6 | 0 | 0 | 0 | 111.9 | | |
| 64 | E | 38.9 | Very low | 44.9 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | | | trans | 35.1 | 98.9 | 132.5 | -163 | 173.4 | -148.6 | 0 | 0 | 118.7 | | |
| 65 | T | 38.5 | Very low | 45.9 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | -155.2 | 119.4 | 139.2 | 11.9 | 0 | 0 | 0 | 0 | 109.2 | E67 | T65-E67 HydrophobicContact CG2-CG 4.32Å; T65-E67 PolarHBondContact O-N 2.89Å; T65-E67 VanDerWaalsContact O-N 3.14Å |
| 66 | V | 43.2 | Very low | 47.2 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -68.4 | 99.6 | 163.3 | 172.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 67 | E | 46.2 | Very low | 48.7 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -122.1 | 109 | 174.3 | -66.8 | -107.4 | 142 | 0 | 0 | 107.9 | T65 | T65-E67 HydrophobicContact CG2-CG 4.32Å; T65-E67 PolarHBondContact O-N 2.89Å; T65-E67 VanDerWaalsContact O-N 3.14Å |
| 68 | D | 47.6 | Very low | 50.2 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 2.3 | 132.9 | 166.4 | -68.3 | -32.2 | 0 | 0 | 0 | 119.1 | E70 | D68-E70 PolarHBondContact O-N 3.3Å; D68-E70 VanDerWaalsContact O-N 3.11Å |
| 69 | E | 50.3 | Low | 51.7 | Low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -32.6 | 115.2 | 167.1 | -68 | -179.2 | 157.6 | 0 | 0 | 111.2 | I71 | E69-I71 PolarHBondContact O-N 3.24Š|
| 70 | E | 52.3 | Low | 53.7 | Low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -61.4 | 80.6 | 176 | -170.7 | -179.5 | -177.3 | 0 | 0 | 108.9 | D68 Q72 | D68-E70 PolarHBondContact O-N 3.3Å; D68-E70 VanDerWaalsContact O-N 3.11Å; E70-Q72 PolarHBondContact O-N 3Å |
| 71 | I | 57.8 | Low | 55.1 | Low | 145 Ų | 145 | 145.7 Ų | 145.7 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | -68.7 | 89 | 165.1 | -60 | 174.4 | 0 | 0 | 0 | 104.4 | E69 N73 | E69-I71 PolarHBondContact O-N 3.24Å; I71-N73 PolarHBondContact O-N 3.36Å |
| 72 | Q | 58.9 | Low | 56.9 | Low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -63.6 | 82 | 174.6 | -168.6 | 172 | 17.8 | 0 | 0 | 108 | E70 C74 | E70-Q72 PolarHBondContact O-N 3Å; Q72-C74 VanDerWaalsContact C-N 3.31Å; Q72-C74 PolarHBondContact O-N 3.3Å |
| 73 | N | 59.9 | Low | 58.8 | Low | 127 Ų | 127 | 146.4 Ų | 146.4 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | | | trans | -73.8 | 90.7 | 179.8 | -157.6 | 14.8 | 0 | 0 | 0 | 106.9 | I71 C75 | I71-N73 PolarHBondContact O-N 3.36Å; N73-C75 PolarHBondContact O-N 3.45Å |
| 74 | C | 61.5 | Low | 60.4 | Low | 105 Ų | 105 | 142.6 Ų | 142.6 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | | | trans | -70 | 73.7 | 174.3 | 44 | 0 | 0 | 0 | 0 | 109.5 | Q72 T76 | Q72-C74 VanDerWaalsContact C-N 3.31Å; Q72-C74 PolarHBondContact O-N 3.3Å; C74-T76 PolarHBondContact O-N 3.05Å |
| 75 | C | 59.9 | Low | 62.2 | Low | 103 Ų | 103 | 142.9 Ų | 142.9 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -62.1 | 97.1 | 169 | -77.9 | 0 | 0 | 0 | 0 | 108.6 | N73 V77 | N73-C75 PolarHBondContact O-N 3.45Å; C75-V77 PolarHBondContact O-N 3.39Å |
| 76 | T | 65.8 | Low | 63.8 | Low | 118 Ų | 118 | 145.8 Ų | 145.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | -71.2 | 108.4 | 170 | 51.8 | 0 | 0 | 0 | 0 | 108.3 | C74 T78 | C74-T76 PolarHBondContact O-N 3.05Å; T76-T78 PolarHBondContact O-N 3.3Å |
| 77 | V | 70.5 | Confident | 65.2 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -58.3 | 110.9 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 106.9 | C75 D79 | C75-V77 PolarHBondContact O-N 3.39Å; V77-D79 PolarHBondContact O-N 3.46Å |
| 78 | T | 68.9 | Low | 66.4 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | trans | -83.4 | 101 | 178 | -54.9 | 0 | 0 | 0 | 0 | 107.6 | T76 R80 | T76-T78 PolarHBondContact O-N 3.3Å; T78-R80 PolarHBondContact O-N 2.97Å |
| 79 | D | 72.4 | Confident | 67.7 | Low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -61.8 | 107.9 | 171.3 | -69.5 | -25.1 | 0 | 0 | 0 | 108.8 | V77 L81 | V77-D79 PolarHBondContact O-N 3.46Å; D79-L81 PolarHBondContact O-N 3.01Å |
| 80 | R | 74.6 | Confident | 68.7 | Low | 224 Ų | 224 | 143.3 Ų | 143.3 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -76.3 | 110.7 | 177.7 | -57.8 | -179 | 94.1 | -179.6 | 6.5 | 107.7 | T78 V82 | T78-R80 PolarHBondContact O-N 2.97Å; R80-V82 PolarHBondContact O-N 3.34Å |
| 81 | L | 74 | Confident | 69.6 | Low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -60.6 | 116.9 | 172.3 | -70.1 | 167.7 | 0 | 0 | 0 | 109.5 | D79 I83 | D79-L81 PolarHBondContact O-N 3.01Å; L81-I83 PolarHBondContact O-N 2.97Å |
| 82 | V | 78.2 | Confident | 70.2 | Confident | 139 Ų | 139 | 142.8 Ų | 142.8 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -84 | 108.6 | 172.1 | -179 | 0 | 0 | 0 | 0 | 107.6 | R80 G84 | R80-V82 PolarHBondContact O-N 3.34Å; V82-G84 PolarHBondContact O-N 3.04Å |
| 83 | I | 76.4 | Confident | 70.6 | Confident | 156 Ų | 156 | 142.7 Ų | 142.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -80.4 | 114.3 | 173.3 | -57.8 | 170.8 | 0 | 0 | 0 | 106.8 | L81 | L81-I83 PolarHBondContact O-N 2.97Š|
| 84 | G | 73.2 | Confident | 71 | Confident | 57 Ų | 57 | 142.5 Ų | 142.5 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | -67.2 | 156.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V82 M86 | V82-G84 PolarHBondContact O-N 3.04Å; G84-M86 PolarHBondContact O-N 3.46Å |
| 85 | E | 75.7 | Confident | 71.2 | Confident | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | trans | -58.2 | 124.1 | 173.6 | -72.6 | 179.8 | 163.4 | 0 | 0 | 109.7 | | |
| 86 | M | 72.3 | Confident | 71.6 | Confident | 173 Ų | 173 | 147.1 Ų | 147.1 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -84 | 115.9 | -177.1 | -169.8 | 87.2 | 74.4 | 0 | 0 | 109.2 | G84 N88 | G84-M86 PolarHBondContact O-N 3.46Å; M86-N88 PolarHBondContact O-N 2.96Å |
| 87 | D | 72.6 | Confident | 71.7 | Confident | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | -63.8 | 130.6 | 171.4 | -71.5 | -41.1 | 0 | 0 | 0 | 110.2 | I89 | D87-I89 PolarHBondContact O-N 2.68Š|
| 88 | N | 72.3 | Confident | 71.7 | Confident | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -66.2 | 93.6 | -176.9 | -177.9 | 10 | 0 | 0 | 0 | 110.7 | M86 N90 | M86-N88 PolarHBondContact O-N 2.96Å; N88-N90 PolarHBondContact O-N 3.39Å |
| 89 | I | 73.6 | Confident | 71.6 | Confident | 152 Ų | 152 | 148.6 Ų | 148.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 120.9 | 170.3 | 61.1 | 173.3 | 0 | 0 | 0 | 109 | D87 E91 | D87-I89 PolarHBondContact O-N 2.68Å; I89-E91 PolarHBondContact O-N 3.35Å |
| 90 | N | 71.8 | Confident | 71.3 | Confident | 135 Ų | 135 | 148.6 Ų | 148.6 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 120.4 | 178.5 | 50.6 | 2.4 | 0 | 0 | 0 | 110.7 | N88 T92 | N88-N90 PolarHBondContact O-N 3.39Å; N90-T92 PolarHBondContact O-N 2.9Å |
| 91 | E | 71.5 | Confident | 70.7 | Confident | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 118.1 | 178.2 | -170.7 | 177.3 | 176.8 | 0 | 0 | 110.5 | I89 | I89-E91 PolarHBondContact O-N 3.35Š|
| 92 | T | 69.3 | Low | 70 | Confident | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -102.9 | 115.9 | 174.9 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | N90 | N90-T92 PolarHBondContact O-N 2.9Š|
| 93 | H | 67.4 | Low | 68.9 | Low | 159 Ų | 159 | 141.8 Ų | 141.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -89.4 | 121.6 | 176.4 | 49.5 | -85 | 0 | 0 | 0 | 109.9 | R95 | H93-R95 PolarHBondContact O-N 3.46Š|
| 94 | S | 69.4 | Low | 67.9 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -72.1 | 118.6 | 173.9 | -71.4 | 0 | 0 | 0 | 0 | 109.8 | G96 | S94-G96 PolarHBondContact O-N 3.18Š|
| 95 | R | 65.8 | Low | 66.9 | Low | 230 Ų | 230 | 142.4 Ų | 142.4 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -71.3 | 115.3 | 173.7 | -67.3 | 179.1 | 79.9 | -161.8 | 5.5 | 108.5 | H93 | H93-R95 PolarHBondContact O-N 3.46Š|
| 96 | G | 68.2 | Low | 65.5 | Low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S94 | S94-G96 PolarHBondContact O-N 3.18Š|
| 97 | V | 66.9 | Low | 64.4 | Low | 146 Ų | 146 | 138.4 Ų | 138.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81 | 120.1 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 98 | Q | 72.1 | Confident | 63 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 123 | 176.4 | -174.4 | 176.8 | -21.8 | 0 | 0 | 109.8 | | |
| 99 | A | 65 | Low | 61.5 | Low | 81 Ų | 81 | 138 Ų | 138 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 100 | N | 67.4 | Low | 59.9 | Low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -85.3 | 112.3 | 172.4 | -75.5 | -26.2 | 0 | 0 | 0 | 109 | | |
| 101 | L | 62.2 | Low | 58.3 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -89.5 | 105.7 | 172.2 | -62.7 | 174.1 | 0 | 0 | 0 | 108.2 | S103 | L101-S103 PolarHBondContact O-N 3.21Š|
| 102 | S | 58.5 | Low | 56.9 | Low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -79.9 | 114.4 | 172.2 | -64 | 0 | 0 | 0 | 0 | 109.5 | A104 | S102-A104 PolarHBondContact O-N 2.76Š|
| 103 | S | 56.3 | Low | 55.5 | Low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -66.3 | 117.7 | 172.8 | -28.2 | 0 | 0 | 0 | 0 | 109.6 | L101 T105 | L101-S103 PolarHBondContact O-N 3.21Å; S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 3.21Å |
| 104 | A | 54.3 | Low | 54.1 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -76.4 | 82.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S102 S106 | S102-A104 PolarHBondContact O-N 2.76Å; A104-S106 PolarHBondContact O-N 2.75Å |
| 105 | T | 52.1 | Low | 52.7 | Low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -88.6 | 98.8 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | S103 E107 | S103-T105 VanDerWaalsContact C-N 3.32Å; S103-T105 PolarHBondContact O-N 3.21Å; T105-E107 PolarHBondContact O-N 3.46Å |
| 106 | S | 46.2 | Very low | 51.7 | Low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -78.7 | 92 | 169.5 | 171.7 | 0 | 0 | 0 | 0 | 108.9 | A104 | A104-S106 PolarHBondContact O-N 2.75Š|
| 107 | E | 49.6 | Very low | 50.6 | Low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -132 | 96.2 | 165.2 | -85.3 | 176.7 | 173 | 0 | 0 | 109 | T105 T109 | T105-E107 PolarHBondContact O-N 3.46Å; E107-T109 VanDerWaalsContact C-N 3.28Å; E107-T109 PolarHBondContact O-N 2.82Å |
| 108 | D | 42.3 | Very low | 49.4 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -60.4 | 91.7 | 159.1 | -86 | -36 | 0 | 0 | 0 | 108.2 | | |
| 109 | T | 41 | Very low | 47.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -144.1 | 100.3 | 160.4 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | E107 K111 | E107-T109 VanDerWaalsContact C-N 3.28Å; E107-T109 PolarHBondContact O-N 2.82Å; T109-K111 PolarHBondContact O-N 3.05Å |
| 110 | L | 41.1 | Very low | 46.7 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -55.9 | 122.8 | 173.9 | -72.9 | 159.6 | 0 | 0 | 0 | 110.9 | | |
| 111 | K | 37.3 | Very low | 45.6 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | 56.7 | 101 | 155.6 | -72.1 | 172.8 | 173.1 | 176.3 | 0 | 117.1 | T109 | T109-K111 PolarHBondContact O-N 3.05Š|
| 112 | S | 42.3 | Very low | 44.7 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -136.6 | 125.3 | 136.5 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 113 | N | 40.1 | Very low | 43.8 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 143.6 | -177.4 | -55.9 | -41 | 0 | 0 | 0 | 111.1 | | |
| 114 | N | 38.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | 63.6 | 104.7 | 154 | -58.6 | -10.5 | 0 | 0 | 0 | 118.2 | | |
| 115 | T | 39.2 | Very low | 42.8 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | | -159.5 | 136.7 | 120.7 | -4.4 | 0 | 0 | 0 | 0 | 112 | | |
| 116 | E | 44.8 | Very low | 42.3 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -65.7 | 120.2 | -175.2 | -170.7 | 177.1 | -178.6 | 0 | 0 | 112.2 | N118 | E116-N118 PolarHBondContact OE1-ND2 3.26Š|
| 117 | V | 44.3 | Very low | 42.2 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | | | trans | -113.5 | 88.4 | 169.2 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | K119 | V117-K119 PolarHBondContact O-N 3.07Š|
| 118 | N | 42.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -73.5 | 110.5 | 167.8 | -75.5 | -36.4 | 0 | 0 | 0 | 108.5 | E116 | E116-N118 PolarHBondContact OE1-ND2 3.26Š|
| 119 | K | 40.5 | Very low | 42.5 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | trans | -80.9 | 109.2 | -165.3 | -172.3 | 175.5 | -173.3 | 175.1 | 0 | 111.1 | V117 T121 | V117-K119 PolarHBondContact O-N 3.07Å; K119-T121 WeakPolarHBondContact CG-OG1 2.96Å |
| 120 | T | 39 | Very low | 42.7 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -85.3 | 112.3 | 158.7 | 35.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 121 | T | 44.8 | Very low | 42.9 | Very low | 102 Ų | 102 | 147.7 Ų | 147.7 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | | | trans | -133.5 | 100 | 171.1 | -51 | 0 | 0 | 0 | 0 | 108.2 | K119 R123 | K119-T121 WeakPolarHBondContact CG-OG1 2.96Å; T121-R123 PolarHBondContact O-N 2.98Å |
| 122 | N | 43.5 | Very low | 43.3 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -53 | 123.1 | 169.2 | -107.7 | -28 | 0 | 0 | 0 | 109.1 | | |
| 123 | R | 40.4 | Very low | 43.5 | Very low | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -115.2 | 89.6 | -179.2 | 177.9 | -175.4 | 167.4 | 148.2 | -0.3 | 107.7 | T121 | T121-R123 PolarHBondContact O-N 2.98Š|
| 124 | D | 43.5 | Very low | 44 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -149.5 | 66.7 | 165.3 | -80.1 | -40.9 | 0 | 0 | 0 | 109 | | |
| 125 | E | 44.7 | Very low | 44.5 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -106.7 | 87.4 | 168.1 | -73.7 | -176.6 | -176.9 | 0 | 0 | 108.6 | S127 | E125-S127 PolarHBondContact O-N 3.26Š|
| 126 | C | 42.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 150 Ų | 150 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -58.1 | 101.4 | 168.6 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | S128 | C126-S128 PolarHBondContact O-N 3.32Š|
| 127 | S | 44.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -67.9 | 104.9 | 176.4 | -49.3 | 0 | 0 | 0 | 0 | 109.5 | E125 L129 | E125-S127 PolarHBondContact O-N 3.26Å; S127-L129 PolarHBondContact O-N 3.42Å |
| 128 | S | 51.3 | Low | 45 | Very low | 102 Ų | 102 | 154.4 Ų | 154.4 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | trans | -70.9 | 98.6 | 176 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | C126 C130 | C126-S128 PolarHBondContact O-N 3.32Å; S128-C130 PolarHBondContact O-N 2.91Å |
| 129 | L | 46.2 | Very low | 45.4 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -74.1 | 64.1 | 173.7 | -132.7 | 108 | 0 | 0 | 0 | 109.6 | S127 Q131 | S127-L129 PolarHBondContact O-N 3.42Å; L129-Q131 PolarHBondContact O-N 3.45Å |
| 130 | C | 45.4 | Very low | 46.1 | Very low | 99 Ų | 99 | 157.7 Ų | 157.7 | 67% | 0.669 | 82% | 0.818 | S | S | * | * | | | trans | -84.5 | 96.9 | 179.5 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | S128 | S128-C130 PolarHBondContact O-N 2.91Š|
| 131 | Q | 45.4 | Very low | 46.5 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | 56.7 | 95.4 | 137.2 | -59.9 | 177.1 | 16.7 | 0 | 0 | 117.3 | L129 P133 | L129-Q131 PolarHBondContact O-N 3.45Å; Q131-P133 WeakPolarHBondContact O-CD 3.38Å |
| 132 | T | 45.3 | Very low | 46.8 | Very low | 137 Ų | 137 | 163.4 Ų | 163.4 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 124.2 | 152.8 | 30.1 | 0 | 0 | 0 | 0 | 110 | L134 | T132-L134 PolarHBondContact O-N 3.02Š|
| 133 | P | 46.1 | Very low | 47.3 | Very low | 122 Ų | 122 | 161.6 Ų | 161.6 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 124 | 177.2 | -21.1 | 31.8 | 0 | 0 | 0 | 111.2 | Q131 K135 | Q131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-K135 PolarHBondContact O-N 3.33Å |
| 134 | L | 51 | Low | 47.8 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 120.6 | 172.6 | -77.7 | 162.1 | 0 | 0 | 0 | 109.1 | T132 Q136 | T132-L134 PolarHBondContact O-N 3.02Å; L134-Q136 PolarHBondContact O-N 3.46Å |
| 135 | K | 49.6 | Very low | 47.6 | Very low | 184 Ų | 184 | 153.6 Ų | 153.6 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 124 | 177.4 | -73.2 | -176.1 | 173.3 | -179.2 | 0 | 110.6 | P133 N137 | P133-K135 PolarHBondContact O-N 3.33Å; K135-N137 PolarHBondContact O-N 3.35Å |
| 136 | Q | 51.1 | Low | 47.6 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | | | trans | -67.8 | 93.8 | 172.2 | -83.3 | 175 | -40.9 | 0 | 0 | 110 | L134 W138 | L134-Q136 PolarHBondContact O-N 3.46Å; Q136-W138 VanDerWaalsContact C-N 3.26Å; Q136-W138 PolarHBondContact O-N 3.28Å |
| 137 | N | 47.4 | Very low | 47.3 | Very low | 146 Ų | 146 | 158.9 Ų | 158.9 | 78% | 0.781 | 84% | 0.839 | S | S | * | * | | | trans | -91.5 | 36.2 | 168.3 | -74.8 | -52.1 | 0 | 0 | 0 | 111.9 | K135 K139 | K135-N137 PolarHBondContact O-N 3.35Å; N137-K139 PolarHBondContact O-N 3.4Å |
| 138 | W | 40.8 | Very low | 47.5 | Very low | 237 Ų | 237 | 161.3 Ų | 161.3 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | | | trans | -85.7 | 93.9 | 176.8 | -67.7 | 66.8 | 0 | 0 | 0 | 108.2 | Q136 Q140 | Q136-W138 VanDerWaalsContact C-N 3.26Å; Q136-W138 PolarHBondContact O-N 3.28Å; W138-Q140 PolarHBondContact O-N 3.36Å |
| 139 | K | 49.4 | Very low | 47.3 | Very low | 195 Ų | 195 | 164.4 Ų | 164.4 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | | | trans | -75.5 | 109.9 | 164.5 | -81.4 | -168 | 174.4 | -173.1 | 0 | 108 | N137 H141 | N137-K139 PolarHBondContact O-N 3.4Å; K139-H141 PolarHBondContact O-N 3.29Å |
| 140 | Q | 55.5 | Low | 47.3 | Very low | 185 Ų | 185 | 163.9 Ų | 163.9 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | | | trans | -65.6 | 121.1 | 164.3 | -84.5 | 176.1 | -47.4 | 0 | 0 | 108 | W138 E142 | W138-Q140 PolarHBondContact O-N 3.36Å; Q140-E142 PolarHBondContact O-N 2.96Å |
| 141 | H | 48 | Very low | 47.5 | Very low | 182 Ų | 182 | 167.8 Ų | 167.8 | 84% | 0.843 | 86% | 0.856 | S | S | * | * | | | trans | -68.9 | 115 | 165.1 | -85.2 | -102.7 | 0 | 0 | 0 | 107.5 | K139 S143 | K139-H141 PolarHBondContact O-N 3.29Å; H141-S143 PolarHBondContact O-N 3.24Å |
| 142 | E | 50.2 | Low | 47.6 | Very low | 182 Ų | 182 | 167.3 Ų | 167.3 | 85% | 0.85 | 86% | 0.858 | S | S | * | * | | | trans | -70.4 | 121.5 | 169.9 | -70.7 | 179.6 | 168.7 | 0 | 0 | 108.7 | Q140 V144 | Q140-E142 PolarHBondContact O-N 2.96Å; E142-V144 PolarHBondContact O-N 3.33Å |
| 143 | S | 54.6 | Low | 47.7 | Very low | 126 Ų | 126 | 169.3 Ų | 169.3 | 88% | 0.881 | 86% | 0.86 | S | S | * | * | | | trans | -66.5 | 116 | 175 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | H141 G145 | H141-S143 PolarHBondContact O-N 3.24Å; S143-G145 PolarHBondContact O-N 3.03Å |
| 144 | V | 50 | Low | 47.8 | Very low | 131 Ų | 131 | 172.6 Ų | 172.6 | 79% | 0.794 | 86% | 0.864 | S | S | * | * | | | trans | -75 | 108.9 | 174 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | E142 | E142-V144 PolarHBondContact O-N 3.33Š|
| 145 | G | 40.5 | Very low | 47.6 | Very low | 74 Ų | 74 | 172.8 Ų | 172.8 | 76% | 0.763 | 86% | 0.862 | S | S | * | * | | | trans | -65.3 | 129.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | S143 | S143-G145 PolarHBondContact O-N 3.03Š|
| 146 | I | 45.3 | Very low | 47.4 | Very low | 163 Ų | 163 | 171.8 Ų | 171.8 | 84% | 0.836 | 87% | 0.867 | S | S | * | * | | | trans | -104.2 | 128.1 | 169.9 | -55.8 | 176.2 | 0 | 0 | 0 | 106.6 | | |
| 147 | H | 36.4 | Very low | 47.1 | Very low | 258 Ų | 258 | 170.8 Ų | 170.8 | 100% | 1.194 | 87% | 0.868 | S | S | * | * | | | trans | -67 | 0 | -175.3 | -146.5 | 79.6 | 0 | 0 | 0 | 112.7 | | |