| 1 | M | 52.4 | Low | 64.5 | Low | 239 Ų | 239 | 111.9 Ų | 111.9 | 100% | 1.177 | 64% | 0.639 | S | S | * | * | | | | 0 | 4.2 | 0 | -62.1 | -163.1 | -102.8 | 0 | 0 | 114.6 | | |
| 2 | A | 56.5 | Low | 65.1 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | | | trans | -88.2 | -15.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 3 | R | 57 | Low | 65.6 | Low | 232 Ų | 232 | 109.8 Ų | 109.8 | 88% | 0.875 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.7 | -29.7 | -176.2 | -69.8 | -176 | 165.5 | -179.1 | -5.4 | 113.7 | L7 | R3-L7 PolarHBondContact O-N 3.03Å |
| 4 | G | 57.4 | Low | 65.6 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 54% | 0.536 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.9 | -34.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L7 A8 | G4-L7 PolarHBondContact O-N 2.86Å; G4-A8 WeakPolarHBondContact O-CB 3.5Å; G4-A8 PolarHBondContact O-N 3.06Å |
| 5 | A | 63.1 | Low | 65.4 | Low | 56 Ų | 56 | 110.1 Ų | 110.1 | 46% | 0.463 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.2 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A8 L9 | A5-A8 PolarHBondContact O-N 3.49Å; A5-L9 WeakPolarHBondContact O-CB 3.13Å; A5-L9 VanDerWaalsContact O-CG 3.25Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 3.2Å |
| 6 | A | 67.6 | Low | 65 | Low | 63 Ų | 63 | 105.6 Ų | 105.6 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 L10 | A6-L9 PolarHBondContact O-N 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 PolarHBondContact O-N 3.41Å |
| 7 | L | 69 | Low | 64.6 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | -41.6 | 176.6 | -164.2 | 82.3 | 0 | 0 | 0 | 111.4 | R3 G4 L10 L11 | R3-L7 PolarHBondContact O-N 3.03Å; G4-L7 PolarHBondContact O-N 2.86Å; L7-L10 PolarHBondContact O-N 2.53Å; L7-L11 HydrophobicContact CD2-CD1 4.48Å; L7-L11 HydrophobicContact CG-CD1 4.26Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.2Å; L7-L11 PolarHBondContact O-N 3.2Å |
| 8 | A | 69.6 | Low | 64 | Low | 41 Ų | 41 | 107.2 Ų | 107.2 | 34% | 0.339 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.7 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G4 A5 L10 L11 F12 | G4-A8 WeakPolarHBondContact O-CB 3.5Å; G4-A8 PolarHBondContact O-N 3.06Å; A5-A8 PolarHBondContact O-N 3.49Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.37Å; A8-L11 PolarHBondContact O-N 3.24Å; A8-F12 WeakPolarHBondContact O-CB 3.33Å; A8-F12 VanDerWaalsContact O-CD2 3.26Å; A8-F12 WeakPolarHBondContact O-CD2 3.3Å; A8-F12 PolarHBondContact O-N 3.14Å |
| 9 | L | 70.9 | Confident | 63.3 | Low | 131 Ų | 131 | 107.9 Ų | 107.9 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.9 | -35.8 | 177 | -71.2 | 173.1 | 0 | 0 | 0 | 112.6 | A5 A6 G13 | A5-L9 WeakPolarHBondContact O-CB 3.13Å; A5-L9 VanDerWaalsContact O-CG 3.25Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 3.2Å; A6-L9 PolarHBondContact O-N 3.26Å; L9-G13 PolarHBondContact O-N 2.9Å |
| 10 | L | 72.5 | Confident | 62.7 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.3 | -46.7 | 174.7 | -153.3 | 172.8 | 0 | 0 | 0 | 110.1 | A6 L7 A8 G13 L14 | A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 PolarHBondContact O-N 3.41Å; L7-L10 PolarHBondContact O-N 2.53Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.37Å; L10-G13 PolarHBondContact O-N 3.24Å; L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 PolarHBondContact O-N 2.66Å |
| 11 | L | 73.8 | Confident | 61.8 | Low | 111 Ų | 111 | 104.3 Ų | 104.3 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.3 | -47.3 | 177.1 | -77.3 | 165.6 | 0 | 0 | 0 | 112.4 | L7 A8 G13 L14 L15 | L7-L11 HydrophobicContact CD2-CD1 4.48Å; L7-L11 HydrophobicContact CG-CD1 4.26Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 WeakPolarHBondContact O-CG 3.2Å; L7-L11 PolarHBondContact O-N 3.2Å; A8-L11 PolarHBondContact O-N 3.24Å; L11-G13 VanDerWaalsContact C-N 3.34Å; L11-G13 PolarHBondContact O-N 3.28Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-L15 WeakPolarHBondContact O-CB 3.25Å; L11-L15 PolarHBondContact O-N 3.04Å |
| 12 | F | 71.4 | Confident | 61.7 | Low | 157 Ų | 157 | 98.4 Ų | 98.4 | 69% | 0.689 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.7 | -34.7 | 176.6 | -86.1 | -77.1 | 0 | 0 | 0 | 112.4 | A8 G16 | A8-F12 WeakPolarHBondContact O-CB 3.33Å; A8-F12 VanDerWaalsContact O-CD2 3.26Å; A8-F12 WeakPolarHBondContact O-CD2 3.3Å; A8-F12 PolarHBondContact O-N 3.14Å; F12-G16 PolarHBondContact O-N 2.94Å |
| 13 | G | 71.3 | Confident | 61.4 | Low | 39 Ų | 39 | 102.9 Ų | 102.9 | 40% | 0.402 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L9 L10 L11 G16 V17 | L9-G13 PolarHBondContact O-N 2.9Å; L10-G13 PolarHBondContact O-N 3.24Å; L11-G13 VanDerWaalsContact C-N 3.34Å; L11-G13 PolarHBondContact O-N 3.28Å; G13-G16 PolarHBondContact O-N 3.37Å; G13-V17 WeakPolarHBondContact O-CG2 3.32Å; G13-V17 PolarHBondContact O-N 3.47Å |
| 14 | L | 66.3 | Low | 61.4 | Low | 117 Ų | 117 | 94.8 Ų | 94.8 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.3 | -39.7 | 177.7 | -134.9 | 159.9 | 0 | 0 | 0 | 111.2 | L10 L11 L18 | L10-L14 HydrophobicContact CD2-CD1 3.96Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 PolarHBondContact O-N 2.66Å; L11-L14 PolarHBondContact O-N 2.8Å; L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 3.32Å |
| 15 | L | 62.8 | Low | 61.2 | Low | 108 Ų | 108 | 95.6 Ų | 95.6 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.1 | -36.9 | 175.6 | -144.3 | 76 | 0 | 0 | 0 | 112 | L11 L18 V19 | L11-L15 WeakPolarHBondContact O-CB 3.25Å; L11-L15 PolarHBondContact O-N 3.04Å; L15-L18 PolarHBondContact O-N 3.2Å; L15-V19 WeakPolarHBondContact O-CB 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.22Å; L15-V19 PolarHBondContact O-N 2.98Å |
| 16 | G | 59.2 | Low | 60.7 | Low | 38 Ų | 38 | 101.9 Ų | 101.9 | 39% | 0.392 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.7 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F12 G13 V19 A20 | F12-G16 PolarHBondContact O-N 2.94Å; G13-G16 PolarHBondContact O-N 3.37Å; G16-V19 PolarHBondContact O-N 2.89Å; G16-A20 VanDerWaalsContact O-CB 3.25Å; G16-A20 WeakPolarHBondContact O-CB 3.33Å; G16-A20 PolarHBondContact O-N 2.92Å |
| 17 | V | 58.1 | Low | 60.5 | Low | 113 Ų | 113 | 104.4 Ų | 104.4 | 69% | 0.685 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.3 | -34.2 | 173.6 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | G13 | G13-V17 WeakPolarHBondContact O-CG2 3.32Å; G13-V17 PolarHBondContact O-N 3.47Å |
| 18 | L | 52.3 | Low | 60 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.3 | -36.4 | 175.6 | -173.7 | 65.5 | 0 | 0 | 0 | 112.5 | L14 L15 | L14-L18 WeakPolarHBondContact O-CB 3.31Å; L14-L18 PolarHBondContact O-N 3.32Å; L15-L18 PolarHBondContact O-N 3.2Å |
| 19 | V | 52.5 | Low | 59.7 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.7 | -27.6 | 178.3 | 167.4 | 0 | 0 | 0 | 0 | 112.5 | L15 G16 A21 | L15-V19 WeakPolarHBondContact O-CB 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.22Å; L15-V19 PolarHBondContact O-N 2.98Å; G16-V19 PolarHBondContact O-N 2.89Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.07Å |
| 20 | A | 49.6 | Very low | 59.5 | Low | 73 Ų | 73 | 107.1 Ų | 107.1 | 60% | 0.603 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 29.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G16 P22 | G16-A20 VanDerWaalsContact O-CB 3.25Å; G16-A20 WeakPolarHBondContact O-CB 3.33Å; G16-A20 PolarHBondContact O-N 2.92Å; A20-P22 VanDerWaalsContact O-CD 3.24Å; A20-P22 WeakPolarHBondContact O-CD 3.35Å; A20-P22 VanDerWaalsContact O-N 3.14Å |
| 21 | A | 45.3 | Very low | 59.1 | Low | 66 Ų | 66 | 105.5 Ų | 105.5 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | | | trans | -60 | 115.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | V19 | V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3.07Å |
| 22 | P | 49.6 | Very low | 58.3 | Low | 115 Ų | 115 | 106 Ų | 106 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | | | trans | -59.5 | 150.8 | 175.8 | 25.4 | -30.9 | 0 | 0 | 0 | 108.1 | A20 G24 | A20-P22 VanDerWaalsContact O-CD 3.24Å; A20-P22 WeakPolarHBondContact O-CD 3.35Å; A20-P22 VanDerWaalsContact O-N 3.14Å; P22-G24 PolarHBondContact O-N 3.28Å |
| 23 | D | 50.5 | Low | 57.7 | Low | 176 Ų | 176 | 104.1 Ų | 104.1 | 94% | 0.941 | 65% | 0.651 | S | S | * | * | | | trans | -63.4 | 47 | 172.1 | -47.3 | -70.5 | 0 | 0 | 0 | 112 | G25 | D23-G25 PolarHBondContact O-N 3.47Š|
| 24 | G | 56.1 | Low | 56.9 | Low | 63 Ų | 63 | 108.7 Ų | 108.7 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | | | trans | -80.5 | 97.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P22 F26 | P22-G24 PolarHBondContact O-N 3.28Å; G24-F26 PolarHBondContact O-N 3.19Å |
| 25 | G | 52.9 | Low | 56.6 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | | | trans | -40.2 | 126.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D23 D27 | D23-G25 PolarHBondContact O-N 3.47Å; G25-D27 PolarHBondContact O-N 2.83Å |
| 26 | F | 53.9 | Low | 56.3 | Low | 189 Ų | 189 | 111.5 Ų | 111.5 | 83% | 0.829 | 68% | 0.678 | S | S | * | * | | | trans | -69.7 | 70.7 | 164.6 | -151.5 | -94.6 | 0 | 0 | 0 | 107.3 | G24 L28 | G24-F26 PolarHBondContact O-N 3.19Å; F26-L28 HydrophobicContact CD1-CD1 4.43Å; F26-L28 HydrophobicContact CD1-CD2 3.91Å; F26-L28 HydrophobicContact CD1-CG 3.96Å; F26-L28 HydrophobicContact CE1-CD2 3.75Å; F26-L28 HydrophobicContact CE1-CG 4.28Å; F26-L28 PolarHBondContact O-N 2.96Å |
| 27 | D | 62.6 | Low | 56.2 | Low | 116 Ų | 116 | 117.2 Ų | 117.2 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | | | trans | -80.2 | 93.7 | -175.2 | -160.6 | 1.5 | 0 | 0 | 0 | 109 | G25 S29 | G25-D27 PolarHBondContact O-N 2.83Å; D27-S29 PolarHBondContact O-N 3.48Å; D27-S29 VanDerWaalsContact O-N 3.14Å; D27-S29 WeakPolarHBondContact OD1-CB 3.49Å; D27-S29 PolarHBondContact OD1-N 3.36Å; D27-S29 PolarHBondContact OD1-OG 3.11Å |
| 28 | L | 58.3 | Low | 55.9 | Low | 95 Ų | 95 | 121.4 Ų | 121.4 | 50% | 0.497 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -68.5 | 0.7 | 173.7 | -67.1 | 172.5 | 0 | 0 | 0 | 112.2 | F26 D30 A31 L32 | F26-L28 HydrophobicContact CD1-CD1 4.43Å; F26-L28 HydrophobicContact CD1-CD2 3.91Å; F26-L28 HydrophobicContact CD1-CG 3.96Å; F26-L28 HydrophobicContact CE1-CD2 3.75Å; F26-L28 HydrophobicContact CE1-CG 4.28Å; F26-L28 PolarHBondContact O-N 2.96Å; L28-D30 PolarHBondContact O-N 3.42Å; L28-A31 HydrophobicContact CD2-CB 4.25Å; L28-A31 CarbonylContact O-C 3.53Å; L28-A31 WeakPolarHBondContact O-CA 3.5Å; L28-A31 WeakPolarHBondContact O-CB 3.37Å; L28-A31 PolarHBondContact O-N 3.43Å; L28-L32 HydrophobicContact CB-CD1 4.26Å; L28-L32 WeakPolarHBondContact O-CD1 3.44Å; L28-L32 PolarHBondContact O-N 2.8Å |
| 29 | S | 63 | Low | 56 | Low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -60 | -25.8 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | D27 | D27-S29 PolarHBondContact O-N 3.48Å; D27-S29 VanDerWaalsContact O-N 3.14Å; D27-S29 WeakPolarHBondContact OD1-CB 3.49Å; D27-S29 PolarHBondContact OD1-N 3.36Å; D27-S29 PolarHBondContact OD1-OG 3.11Å |
| 30 | D | 67.6 | Low | 55.9 | Low | 165 Ų | 165 | 124.5 Ų | 124.5 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -83.1 | -15.2 | 172.6 | -160.9 | 45.7 | 0 | 0 | 0 | 112.9 | L28 | L28-D30 PolarHBondContact O-N 3.42Š|
| 31 | A | 63.6 | Low | 56.1 | Low | 75 Ų | 75 | 127.7 Ų | 127.7 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -19.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L28 P33 | L28-A31 HydrophobicContact CD2-CB 4.25Å; L28-A31 CarbonylContact O-C 3.53Å; L28-A31 WeakPolarHBondContact O-CA 3.5Å; L28-A31 WeakPolarHBondContact O-CB 3.37Å; L28-A31 PolarHBondContact O-N 3.43Å; A31-P33 WeakPolarHBondContact O-CD 3.39Å |
| 32 | L | 57.2 | Low | 56.6 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -82.4 | 119.3 | 166.5 | -84.7 | 101.3 | 0 | 0 | 0 | 109 | L28 D34 | L28-L32 HydrophobicContact CB-CD1 4.26Å; L28-L32 WeakPolarHBondContact O-CD1 3.44Å; L28-L32 PolarHBondContact O-N 2.8Å; L32-D34 PolarHBondContact O-N 3.02Å |
| 33 | P | 58.5 | Low | 57.1 | Low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | trans | -64.2 | 122.6 | 170.9 | 26.7 | -32 | 0 | 0 | 0 | 108.9 | A31 N35 | A31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-N35 PolarHBondContact O-N 3.04Å |
| 34 | D | 55.4 | Low | 57.5 | Low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | trans | -44.8 | 116 | 168.9 | -114.6 | -11.9 | 0 | 0 | 0 | 109 | L32 E36 | L32-D34 PolarHBondContact O-N 3.02Å; D34-E36 HydrophobicContact CB-CG 4.26Å; D34-E36 PolarHBondContact O-N 2.85Å |
| 35 | N | 59.3 | Low | 57.5 | Low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -78.6 | 53.9 | 179 | 59.6 | -30.5 | 0 | 0 | 0 | 110.2 | P33 | P33-N35 PolarHBondContact O-N 3.04Š|
| 36 | E | 57.3 | Low | 57.7 | Low | 132 Ų | 132 | 140.7 Ų | 140.7 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -124.9 | 80.6 | -177.1 | -46.2 | -124 | -145.2 | 0 | 0 | 108.3 | D34 K38 | D34-E36 HydrophobicContact CB-CG 4.26Å; D34-E36 PolarHBondContact O-N 2.85Å; E36-K38 PolarHBondContact O-N 3.28Å |
| 37 | N | 56.2 | Low | 57.2 | Low | 158 Ų | 158 | 137.3 Ų | 137.3 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 56.9 | 57.5 | 155.2 | -60.6 | -55.3 | 0 | 0 | 0 | 118 | | |
| 38 | K | 53.3 | Low | 56.5 | Low | 201 Ų | 201 | 137.1 Ų | 137.1 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -127.3 | 106.4 | 157.2 | -70.1 | -178.4 | -173.7 | 164.5 | 0 | 111.7 | E36 | E36-K38 PolarHBondContact O-N 3.28Š|
| 39 | K | 53.5 | Low | 56.3 | Low | 189 Ų | 189 | 137.5 Ų | 137.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -17.7 | 127.7 | 167.1 | -167.5 | 173.8 | -160.6 | -117.9 | 0 | 114.1 | T41 | K39-T41 PolarHBondContact O-N 3.08Š|
| 40 | P | 49.2 | Very low | 55.9 | Low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | trans | -56.5 | 115.8 | 175.1 | -24 | 33.3 | 0 | 0 | 0 | 110.8 | | |
| 41 | T | 54.8 | Low | 55.3 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.1 | 166.9 | -60.1 | 0 | 0 | 0 | 0 | 108.4 | K39 | K39-T41 PolarHBondContact O-N 3.08Š|
| 42 | A | 55.4 | Low | 55.2 | Low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 134.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 43 | I | 60.3 | Low | 55 | Low | 155 Ų | 155 | 142.2 Ų | 142.2 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.9 | 170.6 | -59.7 | 164.9 | 0 | 0 | 0 | 108.8 | K45 | I43-K45 PolarHBondContact O-N 2.66Š|
| 44 | P | 58.3 | Low | 55.2 | Low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 129.4 | 170.1 | 25.5 | -30.5 | 0 | 0 | 0 | 109.2 | K46 | P44-K46 PolarHBondContact O-N 2.7Š|
| 45 | K | 57.8 | Low | 55.3 | Low | 206 Ų | 206 | 143.1 Ų | 143.1 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125.9 | -176.2 | -69.2 | 177 | -179.2 | 171.7 | 0 | 110.5 | I43 | I43-K45 PolarHBondContact O-N 2.66Š|
| 46 | K | 56.2 | Low | 55.3 | Low | 193 Ų | 193 | 138.1 Ų | 138.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.5 | 168.3 | -160.2 | 177.3 | -166.1 | -179.8 | 0 | 108.9 | P44 S48 | P44-K46 PolarHBondContact O-N 2.7Å; K46-S48 PolarHBondContact O-N 3.29Å |
| 47 | P | 43.8 | Very low | 55.5 | Low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136 | 164.7 | 23.8 | -28.9 | 0 | 0 | 0 | 108.7 | | |
| 48 | S | 47.9 | Very low | 55.4 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 147.7 | -174.5 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | K46 | K46-S48 PolarHBondContact O-N 3.29Š|
| 49 | A | 54.2 | Low | 55.3 | Low | 102 Ų | 102 | 130.7 Ų | 130.7 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -52.4 | 134.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 50 | G | 54.2 | Low | 55.1 | Low | 58 Ų | 58 | 128.1 Ų | 128.1 | 60% | 0.598 | 76% | 0.759 | S | S | * | * | | | trans | 151.4 | 122.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 51 | D | 55.6 | Low | 55 | Low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 102.9 | 88.1 | 159.6 | -44.1 | -19.3 | 0 | 0 | 0 | 116.3 | | |
| 52 | D | 60.9 | Low | 54.8 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | | 75.5 | 50.9 | 119.3 | -46.5 | -25.4 | 0 | 0 | 0 | 120.4 | D54 | D52-D54 PolarHBondContact O-N 3.32Š|
| 53 | F | 53.4 | Low | 54.5 | Low | 203 Ų | 203 | 129.3 Ų | 129.3 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | | | trans | -83 | 66.8 | 149.5 | -74.6 | -76.7 | 0 | 0 | 0 | 110.1 | L55 | F53-L55 PolarHBondContact O-N 3.48Š|
| 54 | D | 62.8 | Low | 53.8 | Low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -82.2 | 98.6 | 171.5 | -151.4 | -16.3 | 0 | 0 | 0 | 109 | D52 G56 | D52-D54 PolarHBondContact O-N 3.32Å; D54-G56 PolarHBondContact O-N 3.38Å; D54-G56 PolarHBondContact OD1-N 3.06Å |
| 55 | L | 56.9 | Low | 53.4 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -80.7 | 12.6 | 174.8 | -64.5 | 172.6 | 0 | 0 | 0 | 111.8 | F53 D57 A58 | F53-L55 PolarHBondContact O-N 3.48Å; L55-D57 PolarHBondContact O-N 2.86Å; L55-A58 WeakPolarHBondContact O-CB 3.34Å; L55-A58 PolarHBondContact O-N 3.01Å |
| 56 | G | 59 | Low | 52.9 | Low | 48 Ų | 48 | 127.7 Ų | 127.7 | 50% | 0.495 | 75% | 0.749 | S | S | . | * | G | 310 helix | trans | -60.7 | -22.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D54 A58 | D54-G56 PolarHBondContact O-N 3.38Å; D54-G56 PolarHBondContact OD1-N 3.06Å; G56-A58 VanDerWaalsContact C-N 3.34Å |
| 57 | D | 61.4 | Low | 52.6 | Low | 157 Ų | 157 | 123.8 Ų | 123.8 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -81.1 | -13.1 | 174.1 | -167.5 | 40.3 | 0 | 0 | 0 | 113.1 | L55 V59 | L55-D57 PolarHBondContact O-N 2.86Å; D57-V59 VanDerWaalsContact C-N 3.34Å |
| 58 | A | 53.9 | Low | 53.5 | Low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -84.5 | -11.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L55 G56 | L55-A58 WeakPolarHBondContact O-CB 3.34Å; L55-A58 PolarHBondContact O-N 3.01Å; G56-A58 VanDerWaalsContact C-N 3.34Å |
| 59 | V | 51.2 | Low | 54.2 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.576 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -99.8 | 94.5 | 168.7 | 178.7 | 0 | 0 | 0 | 0 | 107 | D57 D61 | D57-V59 VanDerWaalsContact C-N 3.34Å; V59-D61 PolarHBondContact O-N 3.46Å |
| 60 | V | 50.2 | Low | 54.4 | Low | 135 Ų | 135 | 129.9 Ų | 129.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -62.1 | 96.4 | 158.7 | 167.8 | 0 | 0 | 0 | 0 | 106.1 | G62 | V60-G62 PolarHBondContact O-N 2.92Š|
| 61 | D | 46.7 | Very low | 54.8 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -58 | 111 | 163.9 | -86.4 | -30.2 | 0 | 0 | 0 | 106.9 | V59 E63 | V59-D61 PolarHBondContact O-N 3.46Å; D61-E63 PolarHBondContact O-N 3Å |
| 62 | G | 51.7 | Low | 55.7 | Low | 70 Ų | 70 | 132.6 Ų | 132.6 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | -62.5 | 126.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | V60 | V60-G62 PolarHBondContact O-N 2.92Š|
| 63 | E | 48.4 | Very low | 55.7 | Low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | | | trans | 163.6 | 116.2 | 134.1 | -169.3 | 156.7 | 114.6 | 0 | 0 | 107.4 | D61 | D61-E63 PolarHBondContact O-N 3Š|
| 64 | N | 45.8 | Very low | 56.3 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | trans | 173.4 | 106 | 141.3 | -86.8 | -60.2 | 0 | 0 | 0 | 107.9 | | |
| 65 | D | 49.6 | Very low | 56.1 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -42.5 | 135.7 | 171.1 | -55 | -89.2 | 0 | 0 | 0 | 112.9 | | |
| 66 | D | 48 | Very low | 56.3 | Low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | | -160.5 | 124.9 | 71.4 | -91.9 | -51.9 | 0 | 0 | 0 | 111.4 | R68 | D66-R68 PolarHBondContact O-N 3.37Š|
| 67 | P | 48.6 | Very low | 56.3 | Low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -81.6 | 111.1 | 165.1 | 29.9 | -26.9 | 0 | 0 | 0 | 109.5 | | |
| 68 | R | 62.4 | Low | 56.2 | Low | 231 Ų | 231 | 135.6 Ų | 135.6 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 125.9 | 160.6 | -175.9 | -176.8 | -78.5 | -150.2 | -1.6 | 107.3 | D66 P70 | D66-R68 PolarHBondContact O-N 3.37Å; R68-P70 WeakPolarHBondContact O-CD 3.31Å; R68-P70 VanDerWaalsContact O-N 3.14Å |
| 69 | P | 62.5 | Low | 56.3 | Low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 124.5 | -174.6 | 14.8 | -24.2 | 0 | 0 | 0 | 109.5 | N71 | P69-N71 PolarHBondContact O-N 2.88Š|
| 70 | P | 59.8 | Low | 56.5 | Low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 133.9 | 173.9 | 24.3 | -29.6 | 0 | 0 | 0 | 108.4 | R68 | R68-P70 WeakPolarHBondContact O-CD 3.31Å; R68-P70 VanDerWaalsContact O-N 3.14Å |
| 71 | N | 62.5 | Low | 57 | Low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 136.3 | 175.6 | -156.4 | 43.5 | 0 | 0 | 0 | 109.2 | P69 | P69-N71 PolarHBondContact O-N 2.88Š|
| 72 | P | 73.7 | Confident | 57.3 | Low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.3 | -176.5 | 19.3 | -30.6 | 0 | 0 | 0 | 111.1 | K74 | P72-K74 PolarHBondContact O-N 3.42Š|
| 73 | P | 61.8 | Low | 57.1 | Low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 135.7 | 177.8 | -17.5 | 28.6 | 0 | 0 | 0 | 110.2 | | |
| 74 | K | 65.3 | Low | 57.1 | Low | 194 Ų | 194 | 137.5 Ų | 137.5 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.2 | 169.6 | -107 | 171.2 | -175.8 | 170.2 | 0 | 109.3 | P72 M76 | P72-K74 PolarHBondContact O-N 3.42Å; K74-M76 PolarHBondContact O-N 3.04Å |
| 75 | P | 59.1 | Low | 57.3 | Low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 128.9 | 174.9 | -20.6 | 30.4 | 0 | 0 | 0 | 110.4 | | |
| 76 | M | 60.1 | Low | 57.6 | Low | 176 Ų | 176 | 134 Ų | 134 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.3 | 172.2 | -76.4 | 154 | 62.9 | 0 | 0 | 109.7 | K74 N78 | K74-M76 PolarHBondContact O-N 3.04Å; M76-N78 PolarHBondContact O-N 3.49Å |
| 77 | P | 59.2 | Low | 58 | Low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.8 | 170.1 | -16.2 | 29.4 | 0 | 0 | 0 | 109.6 | | |
| 78 | N | 60.8 | Low | 58.5 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -47 | 132.3 | -177.8 | -166.7 | 74.7 | 0 | 0 | 0 | 112.2 | M76 N80 | M76-N78 PolarHBondContact O-N 3.49Å; N78-N80 PolarHBondContact O-N 3.36Å; N78-N80 VanDerWaalsContact O-N 3.16Å |
| 79 | P | 55.5 | Low | 58.8 | Low | 110 Ų | 110 | 121.6 Ų | 121.6 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.4 | 176.4 | -10.9 | 25.1 | 0 | 0 | 0 | 109 | | |
| 80 | N | 55.1 | Low | 58.7 | Low | 108 Ų | 108 | 125.3 Ų | 125.3 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 128.7 | 168.5 | -173.5 | 11.8 | 0 | 0 | 0 | 108.3 | N78 N82 | N78-N80 PolarHBondContact O-N 3.36Å; N78-N80 VanDerWaalsContact O-N 3.16Å; N80-N82 PolarHBondContact O-N 2.89Å |
| 81 | P | 60.3 | Low | 59 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -7.2 | -176.3 | -22.2 | 32.9 | 0 | 0 | 0 | 115.4 | | |
| 82 | N | 52.4 | Low | 59 | Low | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 22.7 | -167.4 | -64.8 | -17.8 | 0 | 0 | 0 | 114.3 | N80 | N80-N82 PolarHBondContact O-N 2.89Š|
| 83 | H | 48.4 | Very low | 58.6 | Low | 154 Ų | 154 | 120.2 Ų | 120.2 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | trans | -107.3 | 116 | 168.8 | -126.3 | -98.3 | 0 | 0 | 0 | 109.5 | S85 | H83-S85 VanDerWaalsContact C-N 3.26Å; H83-S85 PolarHBondContact O-N 3.06Å |
| 84 | P | 48.6 | Very low | 59 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | | | trans | -66.8 | 96.5 | 164.4 | 28 | -30 | 0 | 0 | 0 | 106.6 | S86 | P84-S86 PolarHBondContact O-N 3.36Š|
| 85 | S | 49.6 | Very low | 59 | Low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | | | trans | -65.1 | 95.6 | 160.7 | 38.9 | 0 | 0 | 0 | 0 | 105.5 | H83 S87 | H83-S85 VanDerWaalsContact C-N 3.26Å; H83-S85 PolarHBondContact O-N 3.06Å; S85-S87 PolarHBondContact O-N 3.37Å |
| 86 | S | 55.3 | Low | 59.1 | Low | 120 Ų | 120 | 114.1 Ų | 114.1 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | | | trans | -69.2 | 62.9 | 160.8 | -169.8 | 0 | 0 | 0 | 0 | 107.9 | P84 G88 | P84-S86 PolarHBondContact O-N 3.36Å; S86-G88 PolarHBondContact O-N 3.48Å |
| 87 | S | 56 | Low | 59 | Low | 92 Ų | 92 | 111.3 Ų | 111.3 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | | | trans | -75 | 89.7 | 153.9 | 57.6 | 0 | 0 | 0 | 0 | 104.6 | S85 S89 | S85-S87 PolarHBondContact O-N 3.37Å; S87-S89 PolarHBondContact O-N 3.04Å |
| 88 | G | 60.5 | Low | 58.6 | Low | 55 Ų | 55 | 108.8 Ų | 108.8 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | | | trans | -56.3 | 88.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | S86 F90 | S86-G88 PolarHBondContact O-N 3.48Å; G88-F90 PolarHBondContact O-N 2.86Å |
| 89 | S | 68.6 | Low | 58.4 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | | | trans | -82.7 | 94.8 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 105.7 | S87 S91 | S87-S89 PolarHBondContact O-N 3.04Å; S89-S91 PolarHBondContact O-N 3.38Å; S89-S91 PolarHBondContact O-OG 2.85Å |
| 90 | F | 59.6 | Low | 58.7 | Low | 192 Ų | 192 | 107.9 Ų | 107.9 | 84% | 0.842 | 67% | 0.674 | S | S | * | * | | | trans | -53.4 | 110.8 | 165.3 | -52 | -80.2 | 0 | 0 | 0 | 106.9 | G88 D94 | G88-F90 PolarHBondContact O-N 2.86Å; F90-D94 WeakPolarHBondContact CA-OD2 3.41Å |
| 91 | S | 67.2 | Low | 58.7 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 42% | 0.42 | 69% | 0.686 | S | S | . | * | | | trans | -103.4 | 150.4 | -176.2 | -58.9 | 0 | 0 | 0 | 0 | 107.6 | S89 A93 D94 | S89-S91 PolarHBondContact O-N 3.38Å; S89-S91 PolarHBondContact O-OG 2.85Å; S91-A93 PolarHBondContact O-N 3Å; S91-D94 PolarHBondContact N-OD2 2.88Å; S91-D94 VanDerWaalsContact O-CB 3.27Å; S91-D94 WeakPolarHBondContact O-CB 3.21Å; S91-D94 PolarHBondContact O-N 3.24Å |
| 92 | D | 62.5 | Low | 58.1 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -55.2 | -20.2 | 177.7 | -166.8 | 42.1 | 0 | 0 | 0 | 112.8 | D94 L95 | D92-D94 VanDerWaalsContact C-N 3.3Å; D92-D94 PolarHBondContact O-N 3.37Å; D92-L95 WeakPolarHBondContact O-CB 3.41Å; D92-L95 PolarHBondContact O-N 2.97Å |
| 93 | A | 65.4 | Low | 58.3 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 57% | 0.57 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -63.3 | -28.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S91 L95 A96 D97 | S91-A93 PolarHBondContact O-N 3Å; A93-L95 PolarHBondContact O-N 2.9Å; A93-A96 PolarHBondContact O-N 3.48Å; A93-D97 PolarHBondContact O-N 3.5Å |
| 94 | D | 70.1 | Confident | 58.1 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 49% | 0.487 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -69.8 | -22.4 | 175.4 | -58.1 | -40.3 | 0 | 0 | 0 | 111.5 | F90 S91 D92 | F90-D94 WeakPolarHBondContact CA-OD2 3.41Å; S91-D94 PolarHBondContact N-OD2 2.88Å; S91-D94 VanDerWaalsContact O-CB 3.27Å; S91-D94 WeakPolarHBondContact O-CB 3.21Å; S91-D94 PolarHBondContact O-N 3.24Å; D92-D94 VanDerWaalsContact C-N 3.3Å; D92-D94 PolarHBondContact O-N 3.37Å |
| 95 | L | 64.3 | Low | 58.5 | Low | 138 Ų | 138 | 109.7 Ų | 109.7 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -78 | -28.6 | 172.1 | -66.6 | 174.1 | 0 | 0 | 0 | 112.3 | D92 A93 | D92-L95 WeakPolarHBondContact O-CB 3.41Å; D92-L95 PolarHBondContact O-N 2.97Å; A93-L95 PolarHBondContact O-N 2.9Å |
| 96 | A | 61.3 | Low | 58.6 | Low | 82 Ų | 82 | 109 Ų | 109 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.8 | -28.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A93 | A93-A96 PolarHBondContact O-N 3.48Å |
| 97 | D | 58 | Low | 58.5 | Low | 117 Ų | 117 | 106.7 Ų | 106.7 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -83 | -12.4 | 177.8 | -160.6 | 36.6 | 0 | 0 | 0 | 113.3 | A93 V99 S100 | A93-D97 PolarHBondContact O-N 3.5Å; D97-V99 PolarHBondContact O-N 3.34Å; D97-S100 PolarHBondContact O-N 2.84Å |
| 98 | G | 51.7 | Low | 58 | Low | 71 Ų | 71 | 108.3 Ų | 108.3 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 5.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 99 | V | 56.8 | Low | 58 | Low | 140 Ų | 140 | 113.4 Ų | 113.4 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -1.6 | 174.7 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | D97 | D97-V99 PolarHBondContact O-N 3.34Š|
| 100 | S | 61.2 | Low | 57 | Low | 96 Ų | 96 | 112.7 Ų | 112.7 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -113.4 | 76.2 | -178.5 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | D97 | D97-S100 PolarHBondContact O-N 2.84Š|
| 101 | G | 55.7 | Low | 56.6 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | trans | 80.1 | 105.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 102 | G | 46.8 | Very low | 55.6 | Low | 73 Ų | 73 | 108.1 Ų | 108.1 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | 161.9 | 118.5 | 157 | 0 | 0 | 0 | 0 | 0 | 113.1 | G104 | G102-G104 PolarHBondContact O-N 2.82Š|
| 103 | E | 57 | Low | 55.5 | Low | 209 Ų | 209 | 106.8 Ų | 106.8 | 98% | 0.977 | 77% | 0.766 | S | S | * | * | | | trans | -39.5 | 121 | 170.1 | -76.5 | 138.4 | 73.9 | 0 | 0 | 113.5 | | |
| 104 | G | 44.9 | Very low | 54.4 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | -170.4 | 104.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G102 | G102-G104 PolarHBondContact O-N 2.82Š|
| 105 | K | 57.1 | Low | 53.7 | Low | 223 Ų | 223 | 117 Ų | 117 | 97% | 0.97 | 79% | 0.79 | S | S | * | * | | | trans | -57.2 | 142.9 | 169.4 | -69.6 | 168.6 | 165.3 | 179.7 | 0 | 111 | | |
| 106 | G | 51.3 | Low | 52.7 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 133.9 | 124.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 107 | G | 52.2 | Low | 52.3 | Low | 72 Ų | 72 | 124.5 Ų | 124.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 102.1 | 96.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 108 | S | 45.3 | Very low | 52 | Low | 125 Ų | 125 | 121.4 Ų | 121.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -140.5 | 74.5 | 152.4 | -147.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 109 | D | 60.2 | Low | 52.1 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | | | trans | -85.5 | 132.6 | 163.8 | -67.7 | -72.6 | 0 | 0 | 0 | 108.9 | | |
| 110 | G | 49.1 | Very low | 51.7 | Low | 75 Ų | 75 | 127.4 Ų | 127.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 94.9 | 114.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 111 | G | 50.9 | Low | 51.4 | Low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | cis | 128.9 | 114.2 | 25.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 112 | G | 46.2 | Very low | 51.1 | Low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | 89.2 | 113 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 113 | S | 60.5 | Low | 51.3 | Low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | | 59.6 | 98.9 | 128.1 | 167.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 114 | H | 42.2 | Very low | 51 | Low | 166 Ų | 166 | 124.9 Ų | 124.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | -171.1 | 146.2 | 99.3 | -129.7 | -90.8 | 0 | 0 | 0 | 111.3 | | |
| 115 | R | 55.2 | Low | 51.6 | Low | 208 Ų | 208 | 124.4 Ų | 124.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -44.2 | 135.4 | 176.8 | -55.6 | 170 | -173 | 167.2 | 1.2 | 113.4 | | |
| 116 | K | 43.4 | Very low | 51.5 | Low | 194 Ų | 194 | 117.2 Ų | 117.2 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | | | trans | -134.9 | 96.8 | 133.2 | -83.8 | -164 | 176.7 | 179.8 | 0 | 108.8 | | |
| 117 | E | 52.2 | Low | 51.7 | Low | 183 Ų | 183 | 118.1 Ų | 118.1 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | | | trans | -59.4 | 137 | 147.3 | -73.7 | 168.1 | 155.3 | 0 | 0 | 107.7 | | |
| 118 | G | 51.6 | Low | 52.2 | Low | 52 Ų | 52 | 119.2 Ų | 119.2 | 54% | 0.536 | 72% | 0.722 | S | S | . | * | S | Bend | trans | 87.9 | 125.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 119 | E | 54.3 | Low | 53.3 | Low | 183 Ų | 183 | 115.7 Ų | 115.7 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | | | trans | 54.1 | 98.3 | 166.4 | -83.4 | 110.4 | 100.4 | 0 | 0 | 118.9 | | |
| 120 | E | 49.1 | Very low | 54.2 | Low | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | | | | -161.6 | 70.5 | 129.7 | -116.4 | 168.7 | 179.1 | 0 | 0 | 110.3 | | |
| 121 | A | 53.8 | Low | 55.7 | Low | 97 Ų | 97 | 113.8 Ų | 113.8 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -90.8 | 30 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 122 | D | 49.5 | Very low | 57.1 | Low | 154 Ų | 154 | 111.6 Ų | 111.6 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | | | trans | -140.9 | 19.6 | -179.3 | -131.5 | -36.7 | 0 | 0 | 0 | 114.4 | P124 | D122-P124 WeakPolarHBondContact O-CD 3.25Š|
| 123 | A | 51.3 | Low | 58.9 | Low | 29 Ų | 29 | 110.9 Ų | 110.9 | 24% | 0.24 | 64% | 0.643 | C | S | . | * | | | trans | -104.2 | 107.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | G125 V126 | A123-G125 PolarHBondContact O-N 3.3Å; A123-V126 HydrophobicContact CB-CG2 4.01Å; A123-V126 PolarHBondContact O-N 2.92Å |
| 124 | P | 51 | Low | 60 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 6.5 | -177.5 | 22.6 | -31.9 | 0 | 0 | 0 | 115.3 | D122 | D122-P124 WeakPolarHBondContact O-CD 3.25Š|
| 125 | G | 56.5 | Low | 62.2 | Low | 64 Ų | 64 | 106.6 Ų | 106.6 | 66% | 0.66 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 116.3 | A123 | A123-G125 PolarHBondContact O-N 3.3Š|
| 126 | V | 54.9 | Low | 63.9 | Low | 73 Ų | 73 | 101.7 Ų | 101.7 | 44% | 0.442 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -25.5 | -174.3 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | A123 P128 G129 I130 | A123-V126 HydrophobicContact CB-CG2 4.01Å; A123-V126 PolarHBondContact O-N 2.92Å; V126-P128 VanDerWaalsContact C-CD 3.42Å; V126-G129 PolarHBondContact O-N 2.97Å; V126-G129 VanDerWaalsContact O-N 3.12Å; V126-I130 HydrophobicContact CG1-CD1 3.81Å; V126-I130 HydrophobicContact CG1-CG1 4.12Å; V126-I130 PolarHBondContact O-N 3.38Å |
| 127 | I | 56.3 | Low | 66.1 | Low | 100 Ų | 100 | 95.4 Ų | 95.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58 | -39.5 | -175.5 | -52.7 | 171.3 | 0 | 0 | 0 | 113.4 | G129 | I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.44Å |
| 128 | P | 61.8 | Low | 67.9 | Low | 95 Ų | 95 | 90.6 Ų | 90.6 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.1 | -33.6 | 177.9 | -16.5 | 29.6 | 0 | 0 | 0 | 113 | V126 G132 | V126-P128 VanDerWaalsContact C-CD 3.42Å; P128-G132 PolarHBondContact O-N 3.35Å; P128-G132 VanDerWaalsContact O-N 3.15Å |
| 129 | G | 69.4 | Low | 69.5 | Low | 50 Ų | 50 | 91 Ų | 91 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.6 | -42.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V126 I127 G132 A133 | V126-G129 PolarHBondContact O-N 2.97Å; V126-G129 VanDerWaalsContact O-N 3.12Å; I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.44Å; G129-G132 PolarHBondContact O-N 3.48Å; G129-A133 WeakPolarHBondContact O-CB 3.43Å; G129-A133 PolarHBondContact O-N 3.05Å |
| 130 | I | 78.7 | Confident | 71.2 | Confident | 105 Ų | 105 | 84.2 Ų | 84.2 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -46.7 | -178.1 | -58.8 | 170 | 0 | 0 | 0 | 110.5 | V126 G132 A133 V134 | V126-I130 HydrophobicContact CG1-CD1 3.81Å; V126-I130 HydrophobicContact CG1-CG1 4.12Å; V126-I130 PolarHBondContact O-N 3.38Å; I130-G132 VanDerWaalsContact C-N 3.31Å; I130-G132 PolarHBondContact O-N 3.16Å; I130-A133 PolarHBondContact O-N 3.46Å; I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 2.93Å |
| 131 | V | 81.4 | Confident | 73.1 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | A133 V134 V135 | V131-A133 PolarHBondContact O-N 3.15Å; V131-V134 PolarHBondContact O-N 3.43Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.43Å; V131-V135 VanDerWaalsContact O-N 3.16Å |
| 132 | G | 79.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P128 G129 I130 V134 V135 V136 | P128-G132 PolarHBondContact O-N 3.35Å; P128-G132 VanDerWaalsContact O-N 3.15Å; G129-G132 PolarHBondContact O-N 3.48Å; I130-G132 VanDerWaalsContact C-N 3.31Å; I130-G132 PolarHBondContact O-N 3.16Å; G132-V134 PolarHBondContact O-N 3.02Å; G132-V135 PolarHBondContact O-N 3.36Å; G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.45Å |
| 133 | A | 83.8 | Confident | 75.9 | Confident | 61 Ų | 61 | 76.2 Ų | 76.2 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G129 I130 V131 V136 A137 | G129-A133 WeakPolarHBondContact O-CB 3.43Å; G129-A133 PolarHBondContact O-N 3.05Å; I130-A133 PolarHBondContact O-N 3.46Å; V131-A133 PolarHBondContact O-N 3.15Å; A133-V136 PolarHBondContact O-N 3.21Å; A133-A137 VanDerWaalsContact O-CB 3.25Å; A133-A137 WeakPolarHBondContact O-CB 3.36Å; A133-A137 PolarHBondContact O-N 3.2Å |
| 134 | V | 84.8 | Confident | 77.1 | Confident | 86 Ų | 86 | 78.5 Ų | 78.5 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | I130 V131 G132 A137 V138 | I130-V134 WeakPolarHBondContact O-CG2 3.37Å; I130-V134 PolarHBondContact O-N 2.93Å; V131-V134 PolarHBondContact O-N 3.43Å; G132-V134 PolarHBondContact O-N 3.02Å; V134-A137 PolarHBondContact O-N 3.07Å; V134-V138 WeakPolarHBondContact O-CG2 3.42Å; V134-V138 PolarHBondContact O-N 2.97Å |
| 135 | V | 87.6 | Confident | 78.2 | Confident | 96 Ų | 96 | 78.3 Ų | 78.3 | 58% | 0.582 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -44.3 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | V131 G132 V138 A139 | V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.43Å; V131-V135 VanDerWaalsContact O-N 3.16Å; G132-V135 PolarHBondContact O-N 3.36Å; V135-V138 PolarHBondContact O-N 3.47Å; V135-A139 PolarHBondContact O-N 3.32Å |
| 136 | V | 90.9 | Very high | 79 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -41.8 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | G132 A133 V138 A139 G140 | G132-V136 WeakPolarHBondContact O-CG2 3.36Å; G132-V136 PolarHBondContact O-N 3.45Å; A133-V136 PolarHBondContact O-N 3.21Å; V136-V138 PolarHBondContact O-N 3.42Å; V136-A139 PolarHBondContact O-N 3.12Å; V136-G140 PolarHBondContact O-N 3.01Å |
| 137 | A | 89.7 | Confident | 79.5 | Confident | 62 Ų | 62 | 78.5 Ų | 78.5 | 51% | 0.512 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A133 V134 G140 A141 | A133-A137 VanDerWaalsContact O-CB 3.25Å; A133-A137 WeakPolarHBondContact O-CB 3.36Å; A133-A137 PolarHBondContact O-N 3.2Å; V134-A137 PolarHBondContact O-N 3.07Å; A137-G140 PolarHBondContact O-N 3.37Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.42Å |
| 138 | V | 90.6 | Very high | 79.8 | Confident | 82 Ų | 82 | 82.5 Ų | 82.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | V134 V135 V136 G140 A141 I142 | V134-V138 WeakPolarHBondContact O-CG2 3.42Å; V134-V138 PolarHBondContact O-N 2.97Å; V135-V138 PolarHBondContact O-N 3.47Å; V136-V138 PolarHBondContact O-N 3.42Å; V138-G140 PolarHBondContact O-N 3.25Å; V138-A141 PolarHBondContact O-N 2.8Å; V138-I142 HydrophobicContact CG1-CD1 3.87Å; V138-I142 VanDerWaalsContact O-CG1 3.31Å; V138-I142 WeakPolarHBondContact O-CG1 3.35Å; V138-I142 PolarHBondContact O-N 3.44Å |
| 139 | A | 85.6 | Confident | 80.1 | Confident | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V135 V136 S143 | V135-A139 PolarHBondContact O-N 3.32Å; V136-A139 PolarHBondContact O-N 3.12Å; A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 3.26Å; A139-S143 PolarHBondContact O-N 2.71Å |
| 140 | G | 90 | Very high | 79.8 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V136 A137 V138 S143 S144 | V136-G140 PolarHBondContact O-N 3.01Å; A137-G140 PolarHBondContact O-N 3.37Å; V138-G140 PolarHBondContact O-N 3.25Å; G140-S143 PolarHBondContact O-N 3.3Å; G140-S144 WeakPolarHBondContact O-CB 3.25Å; G140-S144 PolarHBondContact O-N 3.38Å |
| 141 | A | 87.3 | Confident | 78.8 | Confident | 59 Ų | 59 | 93.1 Ų | 93.1 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A137 V138 S144 F145 | A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.42Å; V138-A141 PolarHBondContact O-N 2.8Å; A141-S144 PolarHBondContact O-N 3.19Å; A141-F145 VanDerWaalsContact O-CB 3.22Å; A141-F145 WeakPolarHBondContact O-CB 3.38Å; A141-F145 PolarHBondContact O-N 3.28Å |
| 142 | I | 84.3 | Confident | 77.6 | Confident | 98 Ų | 98 | 97.2 Ų | 97.2 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 176.6 | -63.4 | 165.8 | 0 | 0 | 0 | 110.5 | V138 F145 I146 | V138-I142 HydrophobicContact CG1-CD1 3.87Å; V138-I142 VanDerWaalsContact O-CG1 3.31Å; V138-I142 WeakPolarHBondContact O-CG1 3.35Å; V138-I142 PolarHBondContact O-N 3.44Å; I142-F145 PolarHBondContact O-N 2.94Å; I142-I146 HydrophobicContact CG2-CD1 4.06Å; I142-I146 WeakPolarHBondContact O-CG1 3.22Å; I142-I146 PolarHBondContact O-N 3.19Å |
| 143 | S | 77.9 | Confident | 76.4 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 57% | 0.566 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.5 | -45.9 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | A139 G140 I146 A147 | A139-S143 VanDerWaalsContact O-CB 3.31Å; A139-S143 WeakPolarHBondContact O-CB 3.26Å; A139-S143 PolarHBondContact O-N 2.71Å; G140-S143 PolarHBondContact O-N 3.3Å; S143-I146 PolarHBondContact O-N 3.41Å; S143-A147 WeakPolarHBondContact O-CB 3.35Å; S143-A147 PolarHBondContact O-N 2.92Å |
| 144 | S | 76.4 | Confident | 74.8 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 176 | 179 | 0 | 0 | 0 | 0 | 111.9 | G140 A141 A147 Y148 | G140-S144 WeakPolarHBondContact O-CB 3.25Å; G140-S144 PolarHBondContact O-N 3.38Å; A141-S144 PolarHBondContact O-N 3.19Å; S144-A147 PolarHBondContact O-N 2.91Å; S144-Y148 VanDerWaalsContact O-CB 3.3Å; S144-Y148 WeakPolarHBondContact O-CB 3.3Å; S144-Y148 PolarHBondContact O-N 3.21Å |
| 145 | F | 74.2 | Confident | 73.2 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 54% | 0.535 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.8 | -40.9 | 179.3 | -173.4 | -100.8 | 0 | 0 | 0 | 112.1 | A141 I142 Y148 Q149 | A141-F145 VanDerWaalsContact O-CB 3.22Å; A141-F145 WeakPolarHBondContact O-CB 3.38Å; A141-F145 PolarHBondContact O-N 3.28Å; I142-F145 PolarHBondContact O-N 2.94Å; F145-Y148 PolarHBondContact O-N 3.19Å; F145-Q149 HydrophobicContact CD1-CG 3.98Å; F145-Q149 HydrophobicContact CE1-CG 3.67Å; F145-Q149 HydrophobicContact CE2-CG 4.3Å; F145-Q149 HydrophobicContact CG-CG 4.43Å; F145-Q149 HydrophobicContact CZ-CG 3.85Å; F145-Q149 WeakPolarHBondContact O-CB 3.43Å; F145-Q149 WeakPolarHBondContact O-CG 3.27Å; F145-Q149 PolarHBondContact O-N 3.43Å |
| 146 | I | 73.5 | Confident | 71.2 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 174.9 | -66 | 167.4 | 0 | 0 | 0 | 110.6 | I142 S143 Y148 K150 | I142-I146 HydrophobicContact CG2-CD1 4.06Å; I142-I146 WeakPolarHBondContact O-CG1 3.22Å; I142-I146 PolarHBondContact O-N 3.19Å; S143-I146 PolarHBondContact O-N 3.41Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.77Å; I146-K150 WeakPolarHBondContact O-CB 3.48Å; I146-K150 PolarHBondContact O-N 2.82Å; I146-K150 VanDerWaalsContact O-N 3.11Å |
| 147 | A | 66.3 | Low | 69.3 | Low | 37 Ų | 37 | 114.9 Ų | 114.9 | 31% | 0.306 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.8 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S143 S144 L153 | S143-A147 WeakPolarHBondContact O-CB 3.35Å; S143-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact O-N 2.91Å; A147-L153 HydrophobicContact CB-CD1 4.35Å |
| 148 | Y | 63.4 | Low | 67.1 | Low | 184 Ų | 184 | 117 Ų | 117 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.6 | -46.8 | 178.2 | -175 | -98.7 | 0 | 0 | 0 | 112.3 | S144 F145 I146 K150 K151 | S144-Y148 VanDerWaalsContact O-CB 3.3Å; S144-Y148 WeakPolarHBondContact O-CB 3.3Å; S144-Y148 PolarHBondContact O-N 3.21Å; F145-Y148 PolarHBondContact O-N 3.19Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.77Å; Y148-K150 VanDerWaalsContact C-N 3.27Å; Y148-K150 PolarHBondContact O-N 2.96Å; Y148-K151 PolarHBondContact O-N 3.3Å |
| 149 | Q | 67.3 | Low | 65.2 | Low | 126 Ų | 126 | 120.9 Ų | 120.9 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.6 | -32.2 | 177.9 | -75 | -92.4 | -25.8 | 0 | 0 | 112.5 | F145 K151 | F145-Q149 HydrophobicContact CD1-CG 3.98Å; F145-Q149 HydrophobicContact CE1-CG 3.67Å; F145-Q149 HydrophobicContact CE2-CG 4.3Å; F145-Q149 HydrophobicContact CG-CG 4.43Å; F145-Q149 HydrophobicContact CZ-CG 3.85Å; F145-Q149 WeakPolarHBondContact O-CB 3.43Å; F145-Q149 WeakPolarHBondContact O-CG 3.27Å; F145-Q149 PolarHBondContact O-N 3.43Å; Q149-K151 PolarHBondContact O-N 2.93Å |
| 150 | K | 63.3 | Low | 63.2 | Low | 161 Ų | 161 | 126.8 Ų | 126.8 | 70% | 0.7 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 11.1 | -174.5 | -142.7 | -179.2 | -174 | 174.6 | 0 | 114.9 | I146 Y148 K152 | I146-K150 WeakPolarHBondContact O-CB 3.48Å; I146-K150 PolarHBondContact O-N 2.82Å; I146-K150 VanDerWaalsContact O-N 3.11Å; Y148-K150 VanDerWaalsContact C-N 3.27Å; Y148-K150 PolarHBondContact O-N 2.96Å; K150-K152 PolarHBondContact O-N 3.41Å |
| 151 | K | 57.7 | Low | 61.1 | Low | 187 Ų | 187 | 128.5 Ų | 128.5 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.3 | 44.4 | 175.1 | -71.8 | -173.8 | 179.2 | -179.1 | 0 | 113.4 | Y148 Q149 | Y148-K151 PolarHBondContact O-N 3.3Å; Q149-K151 PolarHBondContact O-N 2.93Å |
| 152 | K | 56.8 | Low | 59 | Low | 178 Ų | 178 | 133.8 Ų | 133.8 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -125.6 | -6 | 177.3 | -83 | -95.8 | -177.5 | 171 | 0 | 113.6 | K150 | K150-K152 PolarHBondContact O-N 3.41Š|
| 153 | L | 53.8 | Low | 57.2 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 61% | 0.607 | 69% | 0.686 | S | S | * | * | | | trans | -136.7 | 47.3 | 173.8 | -60.9 | 173.9 | 0 | 0 | 0 | 110.3 | A147 F155 | A147-L153 HydrophobicContact CB-CD1 4.35Å; L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 2.74Å; L153-F155 VanDerWaalsContact O-N 3.08Å |
| 154 | C | 50.5 | Low | 55.5 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | | | trans | -60 | 109.3 | 142.5 | -64.4 | 0 | 0 | 0 | 0 | 103.9 | K156 | C154-K156 PolarHBondContact O-N 3.19Š|
| 155 | F | 49.4 | Very low | 53.9 | Low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | | | trans | -58.4 | 81.1 | 165.1 | -91 | -92.2 | 0 | 0 | 0 | 107.6 | L153 | L153-F155 VanDerWaalsContact C-N 3.28Å; L153-F155 PolarHBondContact O-N 2.74Å; L153-F155 VanDerWaalsContact O-N 3.08Å |
| 156 | K | 47 | Very low | 52.4 | Low | 146 Ų | 146 | 140.7 Ų | 140.7 | 64% | 0.635 | 70% | 0.698 | S | S | * | * | | | trans | -72.5 | 111.9 | 136.6 | -171.3 | 138.6 | 77.8 | 78.6 | 0 | 103 | C154 N158 | C154-K156 PolarHBondContact O-N 3.19Å; K156-N158 PolarHBondContact NZ-ND2 3.48Å; K156-N158 PolarHBondContact NZ-OD1 2.8Å; K156-N158 PolarHBondContact O-N 2.93Å |
| 157 | E | 49.7 | Very low | 51.1 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | | | trans | -49.2 | 83.5 | 154.8 | -179.2 | -172.8 | 166.5 | 0 | 0 | 107.9 | | |
| 158 | N | 44 | Very low | 49.9 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 57% | 0.572 | 73% | 0.73 | S | S | * | * | | | trans | -121.9 | 92.1 | 160.9 | -89 | 7.9 | 0 | 0 | 0 | 101.1 | K156 | K156-N158 PolarHBondContact NZ-ND2 3.48Å; K156-N158 PolarHBondContact NZ-OD1 2.8Å; K156-N158 PolarHBondContact O-N 2.93Å |
| 159 | E | 51.2 | Low | 49.5 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 22.2 | 128.4 | 148.2 | -58.8 | 176.7 | 116 | 0 | 0 | 116.7 | | |
| 160 | Q | 44 | Very low | 48.6 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | trans | 77.1 | 82.1 | 158.7 | -56.3 | 153.7 | 15 | 0 | 0 | 115.2 | | |
| 161 | G | 45.9 | Very low | 47.9 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | -137.9 | 50.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | V163 | G161-V163 PolarHBondContact O-N 3.27Š|
| 162 | E | 42.6 | Very low | 47.3 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | trans | 24.5 | 75.7 | 139.7 | -163.4 | 178.1 | 145.8 | 0 | 0 | 114.7 | D164 | E162-D164 HydrophobicContact CG-CB 4.08Å; E162-D164 PolarHBondContact O-N 2.91Å |
| 163 | V | 46.6 | Very low | 46.7 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | trans | -65.5 | 99.9 | 130.1 | -106.3 | 0 | 0 | 0 | 0 | 103.6 | G161 M165 | G161-V163 PolarHBondContact O-N 3.27Å; V163-M165 PolarHBondContact O-N 3.43Å |
| 164 | D | 41.1 | Very low | 46.1 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 50% | 0.503 | 75% | 0.746 | S | S | . | * | | | trans | -57.8 | 84.4 | 163.4 | 174.6 | 36.1 | 0 | 0 | 0 | 107.4 | E162 E166 | E162-D164 HydrophobicContact CG-CB 4.08Å; E162-D164 PolarHBondContact O-N 2.91Å; D164-E166 VanDerWaalsContact OD1-C 3.28Å; D164-E166 WeakPolarHBondContact OD1-CA 3.41Å; D164-E166 VanDerWaalsContact OD1-CB 3.3Å; D164-E166 WeakPolarHBondContact OD1-CB 3.35Å; D164-E166 PolarHBondContact OD1-N 2.86Å |
| 165 | M | 43.8 | Very low | 45.8 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | | | trans | -91.2 | 29.8 | 160.7 | -151.1 | 178.1 | -167 | 0 | 0 | 108.2 | V163 | V163-M165 PolarHBondContact O-N 3.43Š|
| 166 | E | 43.4 | Very low | 46 | Very low | 100 Ų | 100 | 137 Ų | 137 | 47% | 0.467 | 75% | 0.746 | S | S | . | * | | | trans | -115.9 | 24.7 | 175.9 | -175.6 | 137.3 | 90 | 0 | 0 | 111.9 | D164 H168 R169 | D164-E166 VanDerWaalsContact OD1-C 3.28Å; D164-E166 WeakPolarHBondContact OD1-CA 3.41Å; D164-E166 VanDerWaalsContact OD1-CB 3.3Å; D164-E166 WeakPolarHBondContact OD1-CB 3.35Å; D164-E166 PolarHBondContact OD1-N 2.86Å; E166-H168 PolarHBondContact O-N 3.16Å; E166-R169 HydrophobicContact CG-CB 4.35Å |
| 167 | S | 44.6 | Very low | 46.2 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -77.5 | 1.2 | 167.2 | -158.7 | 0 | 0 | 0 | 0 | 114 | | |
| 168 | H | 42.6 | Very low | 46.2 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -133.5 | 10 | -178.9 | -88.4 | -113.9 | 0 | 0 | 0 | 115.8 | E166 | E166-H168 PolarHBondContact O-N 3.16Š|
| 169 | R | 54.9 | Low | 46.8 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -101.3 | -11.5 | 176.4 | -151.1 | 169.5 | -174.8 | 165.8 | 1.3 | 114.9 | E166 | E166-R169 HydrophobicContact CG-CB 4.35Š|
| 170 | N | 46.9 | Very low | 47 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -121.7 | 23.3 | -170.6 | -61.1 | -25.4 | 0 | 0 | 0 | 115.3 | | |
| 171 | A | 49.8 | Very low | 47.4 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -96.9 | 15.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 172 | N | 44.4 | Very low | 47.8 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -146.2 | 57.2 | 171.7 | -153.1 | -82.5 | 0 | 0 | 0 | 112.2 | | |
| 173 | A | 45.1 | Very low | 48.4 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -85.1 | 104 | 151.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 174 | E | 40.3 | Very low | 48.2 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | 30.9 | 128.2 | 156.7 | -77.2 | 174.1 | 95.7 | 0 | 0 | 120.4 | A176 | E174-A176 PolarHBondContact O-N 3.44Š|
| 175 | P | 43.8 | Very low | 48.5 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | trans | -64.7 | 136.7 | 170.2 | 28 | -31.8 | 0 | 0 | 0 | 111.6 | V177 | P175-V177 PolarHBondContact O-N 2.97Š|
| 176 | A | 53.9 | Low | 48.8 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -61 | 87.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E174 | E174-A176 PolarHBondContact O-N 3.44Š|
| 177 | V | 51.4 | Low | 49.1 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 68% | 0.679 | 82% | 0.824 | S | S | * | * | | | trans | -124.5 | -6.1 | 178.4 | -171.7 | 0 | 0 | 0 | 0 | 115.6 | P175 | P175-V177 PolarHBondContact O-N 2.97Š|
| 178 | Q | 50.8 | Low | 49.4 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -112.2 | 4.8 | -176.3 | -63.8 | -165.3 | 36.1 | 0 | 0 | 116.7 | | |
| 179 | R | 54.9 | Low | 49.8 | Very low | 255 Ų | 255 | 158.3 Ų | 158.3 | 96% | 0.962 | 83% | 0.833 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 9.1 | -178.3 | -71.7 | -88.4 | -178.7 | 148.7 | 0 | 114.9 | | |
| 180 | T | 56.5 | Low | 49.4 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 13.6 | -177.1 | 48.1 | 0 | 0 | 0 | 0 | 116 | | |
| 181 | L | 51.2 | Low | 49.6 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 86% | 0.859 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -123.1 | 26.8 | 178.5 | -120.8 | -177.6 | 0 | 0 | 0 | 115.2 | | |
| 182 | L | 55.8 | Low | 49.6 | Very low | 176 Ų | 176 | 162.9 Ų | 162.9 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | | | trans | -131.5 | 44.9 | 167.7 | -154.7 | 113.3 | 0 | 0 | 0 | 111.6 | | |
| 183 | E | 54.1 | Low | 50 | Low | 192 Ų | 192 | 164.1 Ų | 164.1 | 90% | 0.897 | 86% | 0.862 | S | S | * | * | | | trans | -127.8 | 81.4 | 159.9 | -173.6 | -176.8 | 105.1 | 0 | 0 | 107.2 | | |
| 184 | K | 42.8 | Very low | 50.5 | Low | 277 Ų | 277 | 170.5 Ų | 170.5 | 100% | 1.204 | 87% | 0.87 | S | S | * | * | | | trans | 178.3 | 0 | 139.1 | -166.3 | 160.8 | -174.5 | 158.2 | 0 | 111.4 | | |