| 1 | M | 54 | Low | 69 | Low | 231 Ų | 231 | 109.8 Ų | 109.8 | 100% | 1.138 | 64% | 0.644 | S | S | * | * | | | | 0 | 103.5 | 0 | -64.3 | -54.2 | -147.3 | 0 | 0 | 108.2 | V3 | M1-V3 PolarHBondContact O-N 3.04Š|
| 2 | A | 56.4 | Low | 70 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 87% | 0.868 | 62% | 0.622 | S | S | * | * | | | trans | -78.7 | 110.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L4 | A2-L4 PolarHBondContact O-N 3.32Š|
| 3 | V | 67.3 | Low | 71 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 76% | 0.764 | 61% | 0.61 | S | S | * | * | | | trans | -77.5 | 111.4 | 173.5 | -178.4 | 0 | 0 | 0 | 0 | 107 | M1 | M1-V3 PolarHBondContact O-N 3.04Š|
| 4 | L | 65.6 | Low | 71.9 | Confident | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | | | trans | -57.9 | 140.1 | 176.4 | -80.6 | 157.8 | 0 | 0 | 0 | 109.9 | A2 G6 L8 Q9 | A2-L4 PolarHBondContact O-N 3.32Å; L4-G6 PolarHBondContact O-N 3.28Å; L4-L8 HydrophobicContact CB-CB 4.49Å; L4-L8 HydrophobicContact CD2-CB 4.44Å; L4-L8 HydrophobicContact CD2-CD2 3.91Å; L4-Q9 HydrophobicContact CB-CG 4.02Å; L4-Q9 PolarHBondContact O-NE2 2.86Å |
| 5 | P | 73.1 | Confident | 72.8 | Confident | 75 Ų | 75 | 102.5 Ų | 102.5 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | | | trans | -58.9 | 140.5 | -179.8 | 25.6 | -34.1 | 0 | 0 | 0 | 110 | P7 L8 Q9 | P5-P7 VanDerWaalsContact C-N 3.31Å; P5-P7 WeakPolarHBondContact O-CD 3.27Å; P5-L8 HydrophobicContact CG-CB 4.23Å; P5-L8 HydrophobicContact CG-CD1 3.9Å; P5-L8 HydrophobicContact CG-CG 4.42Å; P5-L8 WeakPolarHBondContact O-CB 3.27Å; P5-L8 PolarHBondContact O-N 3Å; P5-Q9 PolarHBondContact O-N 3.38Å |
| 6 | G | 68.3 | Low | 73.4 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -39.4 | -44.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L4 L8 Q9 L10 | L4-G6 PolarHBondContact O-N 3.28Å; G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.24Å; G6-Q9 PolarHBondContact O-N 3.22Å; G6-L10 PolarHBondContact O-N 3.35Å |
| 7 | P | 72.7 | Confident | 73.9 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -32.5 | 177.7 | 23 | -33.8 | 0 | 0 | 0 | 114.1 | P5 L10 L11 | P5-P7 VanDerWaalsContact C-N 3.31Å; P5-P7 WeakPolarHBondContact O-CD 3.27Å; P7-L10 PolarHBondContact O-N 3.27Å; P7-L11 PolarHBondContact O-N 3.16Å; P7-L11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 71.9 | Confident | 74.2 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.4 | -32.1 | 176.4 | -92.9 | 78.1 | 0 | 0 | 0 | 111.9 | L4 P5 G6 G12 | L4-L8 HydrophobicContact CB-CB 4.49Å; L4-L8 HydrophobicContact CD2-CB 4.44Å; L4-L8 HydrophobicContact CD2-CD2 3.91Å; P5-L8 HydrophobicContact CG-CB 4.23Å; P5-L8 HydrophobicContact CG-CD1 3.9Å; P5-L8 HydrophobicContact CG-CG 4.42Å; P5-L8 WeakPolarHBondContact O-CB 3.27Å; P5-L8 PolarHBondContact O-N 3Å; G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.24Å; L8-G12 PolarHBondContact O-N 3.03Å |
| 9 | Q | 71.3 | Confident | 74.4 | Confident | 98 Ų | 98 | 98.6 Ų | 98.6 | 46% | 0.458 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.1 | -41.8 | 173.7 | -62.5 | -169.9 | 14 | 0 | 0 | 111.4 | L4 P5 G6 G12 V13 | L4-Q9 HydrophobicContact CB-CG 4.02Å; L4-Q9 PolarHBondContact O-NE2 2.86Å; P5-Q9 PolarHBondContact O-N 3.38Å; G6-Q9 PolarHBondContact O-N 3.22Å; Q9-G12 PolarHBondContact O-N 3.14Å; Q9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q9-V13 PolarHBondContact O-N 2.74Å |
| 10 | L | 75.9 | Confident | 74.3 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -41.1 | 178.3 | -161 | 77.6 | 0 | 0 | 0 | 111.8 | G6 P7 G12 V13 L14 | G6-L10 PolarHBondContact O-N 3.35Å; P7-L10 PolarHBondContact O-N 3.27Å; L10-G12 VanDerWaalsContact C-N 3.35Å; L10-V13 PolarHBondContact O-N 2.81Å; L10-L14 HydrophobicContact CG-CD1 4.4Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.2Å; L10-L14 PolarHBondContact O-N 3.26Å |
| 11 | L | 82.2 | Confident | 74 | Confident | 118 Ų | 118 | 95.6 Ų | 95.6 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.5 | -41.9 | 173.1 | -108.7 | 152.6 | 0 | 0 | 0 | 112 | P7 L14 L15 | P7-L11 PolarHBondContact O-N 3.16Å; P7-L11 VanDerWaalsContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.45Å |
| 12 | G | 80.8 | Confident | 74.7 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L8 Q9 L10 L15 T16 | L8-G12 PolarHBondContact O-N 3.03Å; Q9-G12 PolarHBondContact O-N 3.14Å; L10-G12 VanDerWaalsContact C-N 3.35Å; G12-L15 PolarHBondContact O-N 3.37Å; G12-T16 WeakPolarHBondContact O-CG2 3.22Å; G12-T16 PolarHBondContact O-N 3.37Å; G12-T16 PolarHBondContact O-OG1 2.77Å |
| 13 | V | 83 | Confident | 75.1 | Confident | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | Q9 L10 L15 T16 I17 | Q9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q9-V13 PolarHBondContact O-N 2.74Å; L10-V13 PolarHBondContact O-N 2.81Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 3.48Å; V13-T16 WeakPolarHBondContact CA-OG1 3.17Å; V13-T16 PolarHBondContact O-N 2.77Å; V13-T16 PolarHBondContact O-OG1 3.25Å; V13-I17 HydrophobicContact CG1-CD1 3.76Å; V13-I17 HydrophobicContact CG1-CG1 4.48Å; V13-I17 WeakPolarHBondContact O-CB 3.34Å; V13-I17 WeakPolarHBondContact O-CD1 3.37Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.75Å |
| 14 | L | 83.5 | Confident | 74.7 | Confident | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 175.8 | -78.5 | 163.5 | 0 | 0 | 0 | 111.8 | L10 L11 S18 | L10-L14 HydrophobicContact CG-CD1 4.4Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.2Å; L10-L14 PolarHBondContact O-N 3.26Å; L11-L14 PolarHBondContact O-N 3.36Å; L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.22Å |
| 15 | L | 86 | Confident | 74.3 | Confident | 109 Ų | 109 | 93 Ų | 93 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 178.2 | -170.7 | 72.4 | 0 | 0 | 0 | 111.5 | L11 G12 V13 S18 L19 | L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 PolarHBondContact O-N 3.45Å; G12-L15 PolarHBondContact O-N 3.37Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 3.48Å; L15-S18 PolarHBondContact O-N 3.45Å; L15-L19 HydrophobicContact CD1-CD1 4.44Å; L15-L19 HydrophobicContact CD2-CD1 4.4Å; L15-L19 HydrophobicContact CG-CD1 3.87Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CD1 2.96Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.46Å |
| 16 | T | 82 | Confident | 73.3 | Confident | 86 Ų | 86 | 94.7 Ų | 94.7 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | G12 V13 S20 | G12-T16 WeakPolarHBondContact O-CG2 3.22Å; G12-T16 PolarHBondContact O-N 3.37Å; G12-T16 PolarHBondContact O-OG1 2.77Å; V13-T16 WeakPolarHBondContact CA-OG1 3.17Å; V13-T16 PolarHBondContact O-N 2.77Å; V13-T16 PolarHBondContact O-OG1 3.25Å; T16-S20 VanDerWaalsContact O-CB 3.26Å; T16-S20 WeakPolarHBondContact O-CB 3.49Å; T16-S20 PolarHBondContact O-N 2.79Å |
| 17 | I | 82.2 | Confident | 72.5 | Confident | 96 Ų | 96 | 93.8 Ų | 93.8 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.1 | -68 | 166.4 | 0 | 0 | 0 | 110.7 | V13 S20 S21 | V13-I17 HydrophobicContact CG1-CD1 3.76Å; V13-I17 HydrophobicContact CG1-CG1 4.48Å; V13-I17 WeakPolarHBondContact O-CB 3.34Å; V13-I17 WeakPolarHBondContact O-CD1 3.37Å; V13-I17 WeakPolarHBondContact O-CG1 3.46Å; V13-I17 PolarHBondContact O-N 2.75Å; I17-S20 PolarHBondContact O-N 3.07Å; I17-S21 WeakPolarHBondContact O-CB 3.42Å; I17-S21 PolarHBondContact O-N 2.75Å; I17-S21 PolarHBondContact O-OG 3.37Å |
| 18 | S | 80 | Confident | 71.5 | Confident | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 112 | L14 L15 S20 S21 I22 | L14-S18 WeakPolarHBondContact O-CB 3.43Å; L14-S18 PolarHBondContact O-N 3.22Å; L15-S18 PolarHBondContact O-N 3.45Å; S18-S20 PolarHBondContact O-N 2.83Å; S18-S21 PolarHBondContact O-N 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.49Å; S18-I22 PolarHBondContact O-N 2.75Å |
| 19 | L | 76.5 | Confident | 70.5 | Confident | 96 Ų | 96 | 90.6 Ų | 90.6 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.9 | -75.9 | 158 | 0 | 0 | 0 | 112.5 | L15 I22 R23 | L15-L19 HydrophobicContact CD1-CD1 4.44Å; L15-L19 HydrophobicContact CD2-CD1 4.4Å; L15-L19 HydrophobicContact CG-CD1 3.87Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CD1 2.96Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.46Å; L19-I22 PolarHBondContact O-N 2.83Å; L19-R23 WeakPolarHBondContact O-CG 3.38Å; L19-R23 PolarHBondContact O-N 2.77Å; L19-R23 VanDerWaalsContact O-N 3.1Å |
| 20 | S | 73.6 | Confident | 69.4 | Low | 79 Ų | 79 | 95.2 Ų | 95.2 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | T16 I17 S18 R23 L24 | T16-S20 VanDerWaalsContact O-CB 3.26Å; T16-S20 WeakPolarHBondContact O-CB 3.49Å; T16-S20 PolarHBondContact O-N 2.79Å; I17-S20 PolarHBondContact O-N 3.07Å; S18-S20 PolarHBondContact O-N 2.83Å; S20-R23 PolarHBondContact O-N 3.48Å; S20-L24 WeakPolarHBondContact O-CB 3.26Å; S20-L24 PolarHBondContact O-N 3.43Å |
| 21 | S | 68.5 | Low | 68.1 | Low | 55 Ų | 55 | 99.2 Ų | 99.2 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | I17 S18 R23 L24 I25 | I17-S21 WeakPolarHBondContact O-CB 3.42Å; I17-S21 PolarHBondContact O-N 2.75Å; I17-S21 PolarHBondContact O-OG 3.37Å; S18-S21 PolarHBondContact O-N 3.35Å; S21-R23 PolarHBondContact O-N 2.81Å; S21-L24 PolarHBondContact O-N 2.83Å; S21-I25 WeakPolarHBondContact O-CD1 3.26Å; S21-I25 VanDerWaalsContact O-CG1 3.26Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.13Å |
| 22 | I | 68.2 | Low | 66.4 | Low | 87 Ų | 87 | 96.5 Ų | 96.5 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.1 | -67.1 | 161.4 | 0 | 0 | 0 | 111.1 | S18 L19 I25 Q26 | S18-I22 WeakPolarHBondContact O-CG1 3.49Å; S18-I22 PolarHBondContact O-N 2.75Å; L19-I22 PolarHBondContact O-N 2.83Å; I22-I25 PolarHBondContact O-N 3.44Å; I22-Q26 PolarHBondContact O-N 2.89Å |
| 23 | R | 64.1 | Low | 65 | Low | 173 Ų | 173 | 101.4 Ų | 101.4 | 65% | 0.653 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.6 | -34.9 | 176.4 | -68.2 | -66 | 176.3 | -179.4 | 2.2 | 112.5 | L19 S20 S21 Q26 A27 | L19-R23 WeakPolarHBondContact O-CG 3.38Å; L19-R23 PolarHBondContact O-N 2.77Å; L19-R23 VanDerWaalsContact O-N 3.1Å; S20-R23 PolarHBondContact O-N 3.48Å; S21-R23 PolarHBondContact O-N 2.81Å; R23-Q26 PolarHBondContact O-N 3.15Å; R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.35Å; R23-A27 PolarHBondContact O-N 2.84Å |
| 24 | L | 58.4 | Low | 63.4 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.3 | -35.6 | 174.7 | -171.6 | 63.3 | 0 | 0 | 0 | 112.3 | S20 S21 A27 G28 | S20-L24 WeakPolarHBondContact O-CB 3.26Å; S20-L24 PolarHBondContact O-N 3.43Å; S21-L24 PolarHBondContact O-N 2.83Å; L24-A27 PolarHBondContact O-N 3.11Å; L24-G28 PolarHBondContact O-N 3.29Å |
| 25 | I | 58.7 | Low | 61.8 | Low | 125 Ų | 125 | 107 Ų | 107 | 64% | 0.641 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -42.5 | 174.5 | -65.9 | 162.1 | 0 | 0 | 0 | 110.9 | S21 I22 G28 A29 | S21-I25 WeakPolarHBondContact O-CD1 3.26Å; S21-I25 VanDerWaalsContact O-CG1 3.26Å; S21-I25 WeakPolarHBondContact O-CG1 3.32Å; S21-I25 PolarHBondContact O-N 3.13Å; I22-I25 PolarHBondContact O-N 3.44Å; I25-G28 PolarHBondContact O-N 2.92Å; I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.18Å |
| 26 | Q | 51.8 | Low | 60.3 | Low | 110 Ų | 110 | 108.5 Ų | 108.5 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.2 | -40.9 | 173.5 | -81.7 | -174.1 | -31.9 | 0 | 0 | 112.3 | I22 R23 A29 Y30 | I22-Q26 PolarHBondContact O-N 2.89Å; R23-Q26 PolarHBondContact O-N 3.15Å; Q26-A29 PolarHBondContact O-N 3.27Å; Q26-Y30 WeakPolarHBondContact O-CB 3.45Å; Q26-Y30 PolarHBondContact O-N 3.35Å |
| 27 | A | 52.2 | Low | 58.8 | Low | 32 Ų | 32 | 109.3 Ų | 109.3 | 26% | 0.264 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | R23 L24 A29 Y30 Y31 | R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.35Å; R23-A27 PolarHBondContact O-N 2.84Å; L24-A27 PolarHBondContact O-N 3.11Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 2.91Å; A27-Y30 CarbonylContact O-C 3.48Å; A27-Y30 WeakPolarHBondContact O-CA 3.39Å; A27-Y30 WeakPolarHBondContact O-CB 3.46Å; A27-Y30 PolarHBondContact O-N 2.98Å; A27-Y31 HydrophobicContact CB-CD2 4.26Å; A27-Y31 HydrophobicContact CB-CE2 4.02Å; A27-Y31 WeakPolarHBondContact O-CD2 3.46Å; A27-Y31 PolarHBondContact O-N 3.44Å |
| 28 | G | 51.7 | Low | 57.4 | Low | 46 Ų | 46 | 110.4 Ų | 110.4 | 47% | 0.474 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.4 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L24 I25 Y30 | L24-G28 PolarHBondContact O-N 3.29Å; I25-G28 PolarHBondContact O-N 2.92Å; G28-Y30 VanDerWaalsContact C-N 3.27Å |
| 29 | A | 50.8 | Low | 55.9 | Low | 71 Ų | 71 | 115.5 Ų | 115.5 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.8 | -29.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I25 Q26 A27 | I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.18Å; Q26-A29 PolarHBondContact O-N 3.27Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-A29 PolarHBondContact O-N 2.91Å |
| 30 | Y | 47.4 | Very low | 54.9 | Low | 195 Ų | 195 | 117.2 Ų | 117.2 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81 | -31 | 179.1 | -148.4 | -96.9 | 0 | 0 | 0 | 113.5 | Q26 A27 G28 G32 | Q26-Y30 WeakPolarHBondContact O-CB 3.45Å; Q26-Y30 PolarHBondContact O-N 3.35Å; A27-Y30 CarbonylContact O-C 3.48Å; A27-Y30 WeakPolarHBondContact O-CA 3.39Å; A27-Y30 WeakPolarHBondContact O-CB 3.46Å; A27-Y30 PolarHBondContact O-N 2.98Å; G28-Y30 VanDerWaalsContact C-N 3.27Å; Y30-G32 VanDerWaalsContact C-N 3.29Å; Y30-G32 PolarHBondContact O-N 3.44Å |
| 31 | Y | 49.1 | Very low | 53.9 | Low | 202 Ų | 202 | 118.2 Ų | 118.2 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -2.7 | 178.6 | -73.2 | -66.7 | 0 | 0 | 0 | 114.1 | A27 | A27-Y31 HydrophobicContact CB-CD2 4.26Å; A27-Y31 HydrophobicContact CB-CE2 4.02Å; A27-Y31 WeakPolarHBondContact O-CD2 3.46Å; A27-Y31 PolarHBondContact O-N 3.44Å |
| 32 | G | 46.9 | Very low | 53.1 | Low | 61 Ų | 61 | 121.4 Ų | 121.4 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -15.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y30 K34 | Y30-G32 VanDerWaalsContact C-N 3.29Å; Y30-G32 PolarHBondContact O-N 3.44Å; G32-K34 PolarHBondContact O-N 2.95Å |
| 33 | I | 50.2 | Low | 52.3 | Low | 139 Ų | 139 | 125.1 Ų | 125.1 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | | | trans | -97.4 | 96 | -179.1 | -51 | -167.5 | 0 | 0 | 0 | 107.9 | | |
| 34 | K | 50.2 | Low | 51.7 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 126.5 | 161.1 | -75.5 | -178.6 | 177.7 | -178.6 | 0 | 106.9 | G32 L36 | G32-K34 PolarHBondContact O-N 2.95Å; K34-L36 PolarHBondContact O-N 2.78Å; K34-L36 VanDerWaalsContact O-N 3.13Å |
| 35 | P | 49.7 | Very low | 51.3 | Low | 115 Ų | 115 | 123.4 Ų | 123.4 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 127.3 | 169.4 | 22.2 | -29.5 | 0 | 0 | 0 | 106.7 | | |
| 36 | L | 53.6 | Low | 50.9 | Low | 142 Ų | 142 | 123.1 Ų | 123.1 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 134.4 | 172.3 | -72.4 | 158.9 | 0 | 0 | 0 | 107 | K34 | K34-L36 PolarHBondContact O-N 2.78Å; K34-L36 VanDerWaalsContact O-N 3.13Å |
| 37 | P | 51.8 | Low | 50.5 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -51 | 140.8 | 172 | 23 | -31.7 | 0 | 0 | 0 | 107.8 | Q39 | P37-Q39 PolarHBondContact O-N 2.82Š|
| 38 | P | 51.4 | Low | 50.4 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 119.1 | 177.6 | 18.6 | -29.8 | 0 | 0 | 0 | 107 | I40 | P38-I40 VanDerWaalsContact C-N 3.34Å; P38-I40 PolarHBondContact O-N 2.97Å |
| 39 | Q | 50.1 | Low | 50.1 | Low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -56.1 | 108.1 | 178.8 | -70.3 | 177 | 25.4 | 0 | 0 | 104.9 | P37 P41 | P37-Q39 PolarHBondContact O-N 2.82Å; Q39-P41 VanDerWaalsContact O-CD 3.32Å; Q39-P41 WeakPolarHBondContact O-CD 3.21Å |
| 40 | I | 53.8 | Low | 49.6 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 68% | 0.677 | 73% | 0.733 | S | S | * | * | | | trans | -53.5 | 116.4 | 166.8 | -65.1 | 168 | 0 | 0 | 0 | 102.5 | P38 Q43 | P38-I40 VanDerWaalsContact C-N 3.34Å; P38-I40 PolarHBondContact O-N 2.97Å; I40-Q43 HydrophobicContact CG2-CG 4.4Å |
| 41 | P | 54.1 | Low | 49.7 | Very low | 100 Ų | 100 | 138 Ų | 138 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | | | trans | -50.8 | 134.1 | 179.2 | 19.4 | -29.8 | 0 | 0 | 0 | 105.9 | Q39 Q43 | Q39-P41 VanDerWaalsContact O-CD 3.32Å; Q39-P41 WeakPolarHBondContact O-CD 3.21Å; P41-Q43 PolarHBondContact O-N 3.48Å |
| 42 | P | 50 | Low | 49.5 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | trans | -47.4 | 112 | -175.8 | 17.2 | -30.1 | 0 | 0 | 0 | 106.5 | M44 | P42-M44 PolarHBondContact O-N 3.46Š|
| 43 | Q | 53.2 | Low | 49.5 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | | | trans | -55.3 | 116.9 | 173.9 | -71.1 | -176.6 | 11.4 | 0 | 0 | 102.9 | I40 P41 | I40-Q43 HydrophobicContact CG2-CG 4.4Å; P41-Q43 PolarHBondContact O-N 3.48Å |
| 44 | M | 50.9 | Low | 49.7 | Very low | 158 Ų | 158 | 140 Ų | 140 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | | | trans | -46 | 125.5 | 175.2 | -89.1 | 177.7 | -82.4 | 0 | 0 | 105.4 | P42 | P42-M44 PolarHBondContact O-N 3.46Š|
| 45 | P | 50.3 | Low | 49.7 | Very low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | -49.5 | 135.8 | 173.5 | 21 | -30.5 | 0 | 0 | 0 | 106 | Q47 | P45-Q47 PolarHBondContact O-N 3.01Š|
| 46 | P | 49.8 | Very low | 49.7 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -47.4 | 116.8 | 176.9 | 18.8 | -29.8 | 0 | 0 | 0 | 105.8 | I48 | P46-I48 VanDerWaalsContact C-N 3.31Å; P46-I48 PolarHBondContact O-N 3.41Å |
| 47 | Q | 44 | Very low | 49.1 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | -49.8 | 106.4 | -178.4 | -72.9 | -100.6 | 40.5 | 0 | 0 | 104.7 | P45 P49 | P45-Q47 PolarHBondContact O-N 3.01Å; Q47-P49 WeakPolarHBondContact O-CD 3.43Å |
| 48 | I | 48.5 | Very low | 48.9 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | trans | -55.6 | 118.2 | 175.9 | -54.5 | 172.8 | 0 | 0 | 0 | 102.2 | P46 Q50 | P46-I48 VanDerWaalsContact C-N 3.31Å; P46-I48 PolarHBondContact O-N 3.41Å; I48-Q50 PolarHBondContact O-N 3.46Å |
| 49 | P | 46.4 | Very low | 48.4 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | trans | -49.9 | 116.5 | 177.2 | -24.3 | 32.6 | 0 | 0 | 0 | 105.2 | Q47 Y51 | Q47-P49 WeakPolarHBondContact O-CD 3.43Å; P49-Y51 WeakPolarHBondContact O-CD2 3.38Å; P49-Y51 PolarHBondContact O-N 3.39Å |
| 50 | Q | 41.2 | Very low | 48.1 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | -56.3 | 104.3 | 174.3 | -79.3 | -72.1 | -54.1 | 0 | 0 | 103.9 | I48 Q52 | I48-Q50 PolarHBondContact O-N 3.46Å; Q50-Q52 PolarHBondContact O-N 3.47Å |
| 51 | Y | 48.1 | Very low | 47.5 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -64.4 | 99.2 | 175.3 | -83.7 | -88.6 | 0 | 0 | 0 | 104.4 | P49 P53 | P49-Y51 WeakPolarHBondContact O-CD2 3.38Å; P49-Y51 PolarHBondContact O-N 3.39Å; Y51-P53 WeakPolarHBondContact O-CD 3.42Å; Y51-P53 VanDerWaalsContact O-N 3.15Å |
| 52 | Q | 45.6 | Very low | 46.9 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -50.5 | 123.1 | 164.1 | -143 | 107.6 | -6.6 | 0 | 0 | 104.6 | Q50 L54 | Q50-Q52 PolarHBondContact O-N 3.47Å; Q52-L54 PolarHBondContact O-N 3.43Å |
| 53 | P | 47.4 | Very low | 46.7 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | trans | -57.4 | 111.3 | 172.6 | 21.5 | -29.5 | 0 | 0 | 0 | 106.2 | Y51 G55 | Y51-P53 WeakPolarHBondContact O-CD 3.42Å; Y51-P53 VanDerWaalsContact O-N 3.15Å; P53-G55 PolarHBondContact O-N 2.71Å |
| 54 | L | 53 | Low | 45.7 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | | | trans | -74.6 | 53.2 | 171.6 | -151.5 | 87.8 | 0 | 0 | 0 | 108.1 | Q52 | Q52-L54 PolarHBondContact O-N 3.43Š|
| 55 | G | 49.9 | Very low | 45.4 | Very low | 59 Ų | 59 | 140.9 Ų | 140.9 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | trans | -129.8 | 41.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P53 | P53-G55 PolarHBondContact O-N 2.71Š|
| 56 | Q | 51.3 | Low | 44.8 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -157.3 | 27 | 165.7 | -120.4 | 172.4 | 55.6 | 0 | 0 | 113.9 | | |
| 57 | Q | 41 | Very low | 44.3 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -117.6 | 83 | 159 | -86.4 | 176.8 | -19.5 | 0 | 0 | 107.2 | P59 | Q57-P59 WeakPolarHBondContact O-CD 3.34Š|
| 58 | V | 45.9 | Very low | 43.8 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -71.6 | 110.2 | 147.3 | -174.2 | 0 | 0 | 0 | 0 | 103.5 | H60 | V58-H60 PolarHBondContact O-N 3.36Å; V58-H60 VanDerWaalsContact O-N 3.07Å |
| 59 | P | 42.5 | Very low | 43.1 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | | | trans | -60.2 | 119.9 | 168 | -13.4 | 29.5 | 0 | 0 | 0 | 105.3 | Q57 M61 | Q57-P59 WeakPolarHBondContact O-CD 3.34Å; P59-M61 PolarHBondContact O-N 2.99Å |
| 60 | H | 44.1 | Very low | 42.6 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -61.8 | 92.5 | 164 | -57.2 | -71.8 | 0 | 0 | 0 | 105.6 | V58 P62 | V58-H60 PolarHBondContact O-N 3.36Å; V58-H60 VanDerWaalsContact O-N 3.07Å; H60-P62 WeakPolarHBondContact O-CD 3.37Å |
| 61 | M | 39.8 | Very low | 42.4 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | | | trans | -66.9 | 113.7 | 172.6 | -158 | 175 | -68.2 | 0 | 0 | 104.8 | P59 L63 | P59-M61 PolarHBondContact O-N 2.99Å; M61-L63 PolarHBondContact O-N 3.32Å; M61-L63 VanDerWaalsContact O-N 3.14Å |
| 62 | P | 42 | Very low | 41.9 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -61.6 | 124.6 | 172.1 | 25.7 | -30 | 0 | 0 | 0 | 106 | H60 A64 | H60-P62 WeakPolarHBondContact O-CD 3.37Å; P62-A64 PolarHBondContact O-N 3.48Å |
| 63 | L | 44.9 | Very low | 41.6 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | -62.3 | 87.3 | 175.4 | -172.4 | 71.2 | 0 | 0 | 0 | 107.8 | M61 K65 | M61-L63 PolarHBondContact O-N 3.32Å; M61-L63 VanDerWaalsContact O-N 3.14Å; L63-K65 PolarHBondContact O-N 3.1Å; L63-K65 VanDerWaalsContact O-N 3.16Å |
| 64 | A | 33.7 | Very low | 41.3 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | -71.9 | 107.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | P62 | P62-A64 PolarHBondContact O-N 3.48Š|
| 65 | K | 44.8 | Very low | 40.6 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | -61.9 | 141 | 160 | -64.2 | 175.1 | 177.5 | 180 | 0 | 106.7 | L63 | L63-K65 PolarHBondContact O-N 3.1Å; L63-K65 VanDerWaalsContact O-N 3.16Å |
| 66 | D | 36.4 | Very low | 40.4 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 92.9 | 110.6 | 169.1 | -41.1 | -30.4 | 0 | 0 | 0 | 114.2 | | |
| 67 | G | 40 | Very low | 40.2 | Very low | 69 Ų | 69 | 146.5 Ų | 146.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -79.6 | 160.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 68 | L | 34.1 | Very low | 40.1 | Very low | 176 Ų | 176 | 146 Ų | 146 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | 173.5 | 130.8 | 139.6 | -92.8 | 149.8 | 0 | 0 | 0 | 111.6 | | |
| 69 | A | 32.5 | Very low | 39.6 | Very low | 87 Ų | 87 | 150.9 Ų | 150.9 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | | | trans | 39.4 | 118.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 70 | M | 36.2 | Very low | 39.3 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 98% | 0.975 | 81% | 0.811 | S | S | * | * | | | | 49.4 | 126.2 | 115 | -143.6 | -179.7 | -124.9 | 0 | 0 | 120.4 | | |
| 71 | G | 37.4 | Very low | 38.9 | Very low | 66 Ų | 66 | 150.1 Ų | 150.1 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | trans | 113.6 | 103.7 | 142.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 72 | K | 36.4 | Very low | 38.8 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 90% | 0.9 | 82% | 0.816 | S | S | * | * | | | | -173.7 | 123.3 | 121.2 | -104.8 | 167.8 | -178.8 | 175.6 | 0 | 111.4 | | |
| 73 | E | 40.4 | Very low | 38.7 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | -60.5 | 143.5 | 174.4 | -60 | 157.2 | -177.3 | 0 | 0 | 110.5 | | |
| 74 | M | 40 | Very low | 38.7 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | -127.6 | 142.6 | 162.5 | -85.2 | -170.2 | -91.8 | 0 | 0 | 110 | | |
| 75 | P | 40.1 | Very low | 39.2 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | | | trans | -87.3 | 152.6 | -149.2 | 16 | -1.3 | 0 | 0 | 0 | 113.2 | L77 | P75-L77 PolarHBondContact O-N 3.06Š|
| 76 | H | 44.3 | Very low | 39.3 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | | | trans | -52.4 | 116.9 | 171.9 | -56.5 | -83.2 | 0 | 0 | 0 | 111.8 | | |
| 77 | L | 47.6 | Very low | 39.6 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -95.2 | 99.2 | 154.2 | -103 | 81 | 0 | 0 | 0 | 109.3 | P75 | P75-L77 PolarHBondContact O-N 3.06Š|
| 78 | Q | 39.6 | Very low | 39.8 | Very low | 157 Ų | 157 | 158.3 Ų | 158.3 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -64.9 | 154.9 | 159.3 | -174.3 | 73.7 | 22.5 | 0 | 0 | 110 | | |
| 79 | Y | 34.8 | Very low | 40.5 | Very low | 222 Ų | 222 | 159 Ų | 159 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | 93.4 | 117.3 | 176.7 | -67.9 | -88.7 | 0 | 0 | 0 | 114.9 | | |
| 80 | G | 35.3 | Very low | 41.1 | Very low | 64 Ų | 64 | 162.2 Ų | 162.2 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | cis | 154.8 | 132 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 81 | K | 35.8 | Very low | 41.8 | Very low | 202 Ų | 202 | 160.7 Ų | 160.7 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | 162.2 | 113.5 | 144.3 | -89.8 | 170.2 | -174.4 | -175.7 | 0 | 108 | Y83 | K81-Y83 PolarHBondContact O-N 3.47Š|
| 82 | E | 38.1 | Very low | 42.4 | Very low | 191 Ų | 191 | 166 Ų | 166 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 124.1 | 173 | -67.7 | 155.5 | 166.4 | 0 | 0 | 110 | | |
| 83 | Y | 39.6 | Very low | 43 | Very low | 228 Ų | 228 | 163.4 Ų | 163.4 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 122.3 | 159.7 | -96.5 | -86.5 | 0 | 0 | 0 | 108.3 | K81 H85 | K81-Y83 PolarHBondContact O-N 3.47Å; Y83-H85 PolarHBondContact O-N 3.28Å |
| 84 | P | 45.1 | Very low | 43 | Very low | 91 Ų | 91 | 162.3 Ų | 162.3 | 59% | 0.591 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.5 | 176.1 | -7.7 | 22.3 | 0 | 0 | 0 | 109.6 | | |
| 85 | H | 44 | Very low | 43.5 | Very low | 175 Ų | 175 | 159.7 Ų | 159.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 51.2 | 93.9 | 151.3 | -24.5 | -66.2 | 0 | 0 | 0 | 116.9 | Y83 P87 | Y83-H85 PolarHBondContact O-N 3.28Å; H85-P87 WeakPolarHBondContact O-CD 3.34Å |
| 86 | L | 46.5 | Very low | 43.8 | Very low | 162 Ų | 162 | 158.7 Ų | 158.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -64.9 | 125.4 | 155.3 | -77.9 | 164.7 | 0 | 0 | 0 | 108.9 | | |
| 87 | P | 44.7 | Very low | 43.8 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 138.4 | 176.3 | 17.5 | -21.8 | 0 | 0 | 0 | 110.8 | H85 Y89 | H85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-Y89 HydrophobicContact CG-CD1 4.45Å; P87-Y89 VanDerWaalsContact O-CD1 3.27Å; P87-Y89 WeakPolarHBondContact O-CD1 3.47Å; P87-Y89 PolarHBondContact O-N 3.45Å |
| 88 | Q | 44.2 | Very low | 44 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -63.3 | 36.3 | -171.2 | -85.3 | -152.7 | -25.3 | 0 | 0 | 117.1 | M90 | Q88-M90 PolarHBondContact O-N 2.86Š|
| 89 | Y | 47 | Very low | 44.3 | Very low | 191 Ų | 191 | 160.9 Ų | 160.9 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 0.8 | -178.6 | 71.2 | -95.9 | 0 | 0 | 0 | 114.7 | P87 | P87-Y89 HydrophobicContact CG-CD1 4.45Å; P87-Y89 VanDerWaalsContact O-CD1 3.27Å; P87-Y89 WeakPolarHBondContact O-CD1 3.47Å; P87-Y89 PolarHBondContact O-N 3.45Å |
| 90 | M | 46.1 | Very low | 44.6 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 17.8 | 179.6 | -83.2 | -176.4 | 68.5 | 0 | 0 | 115.2 | Q88 | Q88-M90 PolarHBondContact O-N 2.86Š|
| 91 | K | 50.9 | Low | 45.3 | Very low | 165 Ų | 165 | 159.5 Ų | 159.5 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -99.5 | 5.8 | -175.9 | -113.5 | -177 | -177.3 | -177.6 | 0 | 117.4 | | |
| 92 | E | 49.7 | Very low | 46 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -129 | 62 | 176.8 | -72.2 | -177.5 | 174.5 | 0 | 0 | 112.2 | Q94 | E92-Q94 PolarHBondContact O-N 3.25Š|
| 93 | I | 49.8 | Very low | 46 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -79.7 | 97.5 | 154.1 | -56.4 | 178.8 | 0 | 0 | 0 | 105.9 | | |
| 94 | Q | 38.8 | Very low | 46.1 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129.5 | 166.7 | -65.9 | -179.1 | 52.6 | 0 | 0 | 108.1 | E92 A96 | E92-Q94 PolarHBondContact O-N 3.25Å; Q94-A96 PolarHBondContact O-N 2.96Å |
| 95 | P | 51 | Low | 45.9 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.2 | 178.3 | 23.8 | -30.2 | 0 | 0 | 0 | 109.5 | | |
| 96 | A | 46.3 | Very low | 45.7 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q94 R98 | Q94-A96 PolarHBondContact O-N 2.96Å; A96-R98 PolarHBondContact O-N 3.35Å |
| 97 | P | 44.5 | Very low | 45.3 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 132.4 | 175.5 | 23 | -30 | 0 | 0 | 0 | 110.3 | M99 | P97-M99 PolarHBondContact O-N 3.03Š|
| 98 | R | 52.1 | Low | 45.5 | Very low | 245 Ų | 245 | 153.9 Ų | 153.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 127.7 | 179 | -87.3 | -175.5 | 163.4 | 121.8 | -3.1 | 110.8 | A96 G100 | A96-R98 PolarHBondContact O-N 3.35Å; R98-G100 PolarHBondContact O-N 3.44Å |
| 99 | M | 45.4 | Very low | 45.5 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | | | trans | -53.2 | 105.3 | 175 | -151.7 | -178.9 | -60.5 | 0 | 0 | 110.4 | P97 | P97-M99 PolarHBondContact O-N 3.03Š|
| 100 | G | 42.3 | Very low | 45.6 | Very low | 69 Ų | 69 | 155.4 Ų | 155.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | trans | -86 | 142.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R98 | R98-G100 PolarHBondContact O-N 3.44Š|
| 101 | K | 49.8 | Very low | 46 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | -74.7 | 154 | -167.9 | -52.6 | 170.6 | -174.8 | -179.1 | 0 | 111.8 | | |
| 102 | E | 49.6 | Very low | 45.7 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 69 | 107.8 | 154.9 | -67.1 | 164.7 | -161 | 0 | 0 | 119.1 | | |
| 103 | A | 38.5 | Very low | 45.8 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | | | trans | -159.3 | 107.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 104 | V | 40.8 | Very low | 45.9 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | | | trans | -14.6 | 139.1 | 156.2 | -177.9 | 0 | 0 | 0 | 0 | 116.4 | K106 | V104-K106 PolarHBondContact O-N 3.25Š|
| 105 | P | 42.5 | Very low | 46.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -74.9 | 117.1 | -178.4 | 31.2 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 106 | K | 39.8 | Very low | 46.4 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -95.1 | 104.6 | 166.4 | -76.1 | -171.8 | 178 | 177.9 | 0 | 109.9 | V104 | V104-K106 PolarHBondContact O-N 3.25Š|
| 107 | K | 37.5 | Very low | 46.8 | Very low | 206 Ų | 206 | 149.8 Ų | 149.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | | | trans | 26.8 | 117.2 | 140 | -147.2 | 172.7 | -173.2 | 179.9 | 0 | 116.6 | K109 | K107-K109 PolarHBondContact O-N 2.94Š|
| 108 | G | 47.8 | Very low | 47.4 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | -5.8 | 105.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 109 | K | 44.3 | Very low | 47.6 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | trans | -103.9 | 109.9 | 141.2 | -91.8 | -179.1 | 173.7 | -178.4 | 0 | 105.9 | K107 I111 | K107-K109 PolarHBondContact O-N 2.94Å; K109-I111 PolarHBondContact O-N 3.42Å |
| 110 | E | 49.5 | Very low | 48.2 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -44.2 | 112.7 | 161.8 | -65.4 | 167.7 | -176.5 | 0 | 0 | 107.3 | P112 | E110-P112 VanDerWaalsContact O-CD 3.27Å; E110-P112 WeakPolarHBondContact O-CD 3.48Å; E110-P112 VanDerWaalsContact O-N 3.15Å |
| 111 | I | 54 | Low | 48.7 | Very low | 141 Ų | 141 | 142 Ų | 142 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -60.4 | 117.8 | 168.6 | -40.1 | 168.7 | 0 | 0 | 0 | 103.3 | K109 L113 | K109-I111 PolarHBondContact O-N 3.42Å; I111-L113 PolarHBondContact O-N 2.91Å |
| 112 | P | 46.3 | Very low | 48.7 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 57% | 0.565 | 77% | 0.768 | S | S | * | * | | | trans | -53.2 | 123.7 | -179.5 | -23.6 | 32.5 | 0 | 0 | 0 | 107.7 | E110 A114 S115 | E110-P112 VanDerWaalsContact O-CD 3.27Å; E110-P112 WeakPolarHBondContact O-CD 3.48Å; E110-P112 VanDerWaalsContact O-N 3.15Å; P112-A114 PolarHBondContact O-N 2.92Å; P112-S115 PolarHBondContact O-N 3.44Å |
| 113 | L | 51.9 | Low | 48.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -53.3 | -15.7 | -177.8 | -154.7 | 75.1 | 0 | 0 | 0 | 112.5 | I111 S115 L116 | I111-L113 PolarHBondContact O-N 2.91Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 3.49Å; L113-L116 HydrophobicContact CD1-CD1 3.81Å; L113-L116 HydrophobicContact CG-CD1 4.38Å; L113-L116 PolarHBondContact O-N 3.03Å |
| 114 | A | 50.5 | Low | 49.1 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -63 | -19.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115 | P112 L116 | P112-A114 PolarHBondContact O-N 2.92Å; A114-L116 VanDerWaalsContact C-N 3.35Å |
| 115 | S | 47.4 | Very low | 49.5 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -84.7 | -1.9 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | P112 L113 | P112-S115 PolarHBondContact O-N 3.44Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 3.49Å |
| 116 | L | 53.1 | Low | 49.7 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.3 | -4.6 | 179.1 | -70.9 | 169 | 0 | 0 | 0 | 113.9 | L113 A114 G118 | L113-L116 HydrophobicContact CD1-CD1 3.81Å; L113-L116 HydrophobicContact CG-CD1 4.38Å; L113-L116 PolarHBondContact O-N 3.03Å; A114-L116 VanDerWaalsContact C-N 3.35Å; L116-G118 PolarHBondContact O-N 3.4Å |
| 117 | R | 55 | Low | 50 | Low | 225 Ų | 225 | 132.2 Ų | 132.2 | 85% | 0.849 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -86.8 | 111.4 | 174.9 | -168.8 | 170.3 | -172 | 165.8 | 2.1 | 108.2 | E119 | R117-E119 PolarHBondContact O-N 2.93Š|
| 118 | G | 56.5 | Low | 50.4 | Low | 61 Ų | 61 | 127.7 Ų | 127.7 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -49 | 134.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L116 Q120 | L116-G118 PolarHBondContact O-N 3.4Å; G118-Q120 PolarHBondContact O-N 3.4Å |
| 119 | E | 57.5 | Low | 50.5 | Low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 139.1 | -179.1 | -70.6 | -169.2 | 128.7 | 0 | 0 | 110.2 | R117 G121 | R117-E119 PolarHBondContact O-N 2.93Å; E119-G121 PolarHBondContact O-N 2.91Å |
| 120 | Q | 57.1 | Low | 50.5 | Low | 189 Ų | 189 | 127 Ų | 127 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.8 | 173.7 | -179.6 | 177 | -18.6 | 0 | 0 | 108.4 | G118 | G118-Q120 PolarHBondContact O-N 3.4Š|
| 121 | G | 52.2 | Low | 50.5 | Low | 38 Ų | 38 | 123 Ų | 123 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 153.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E119 | E119-G121 PolarHBondContact O-N 2.91Š|
| 122 | P | 50.5 | Low | 50.3 | Low | 121 Ų | 121 | 122.3 Ų | 122.3 | 79% | 0.786 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.8 | -178.9 | 25.5 | -34 | 0 | 0 | 0 | 111.1 | G124 | P122-G124 PolarHBondContact O-N 3.04Š|
| 123 | R | 50.5 | Low | 50.3 | Low | 243 Ų | 243 | 119.6 Ų | 119.6 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.5 | 173.7 | -177.7 | 177.3 | 179 | 167 | 0 | 109.1 | | |
| 124 | G | 45.7 | Very low | 50.2 | Low | 34 Ų | 34 | 117.6 Ų | 117.6 | 35% | 0.351 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 149.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P122 | P122-G124 PolarHBondContact O-N 3.04Š|
| 125 | E | 48.9 | Very low | 50.2 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 150.6 | -178.6 | -65 | -165.2 | 149.8 | 0 | 0 | 111.9 | G127 | E125-G127 PolarHBondContact O-N 2.9Š|
| 126 | P | 47.7 | Very low | 50.1 | Low | 126 Ų | 126 | 116.8 Ų | 116.8 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 137 | 169.7 | -22.6 | 33.5 | 0 | 0 | 0 | 110.9 | | |
| 127 | G | 45.9 | Very low | 50.1 | Low | 29 Ų | 29 | 117.9 Ų | 117.9 | 30% | 0.299 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 158.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E125 | E125-G127 PolarHBondContact O-N 2.9Š|
| 128 | P | 45.8 | Very low | 50 | Low | 111 Ų | 111 | 112 Ų | 112 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.7 | -179.9 | 26 | -34 | 0 | 0 | 0 | 111.4 | G130 | P128-G130 PolarHBondContact O-N 2.92Š|
| 129 | R | 50.6 | Low | 49.7 | Very low | 243 Ų | 243 | 111.5 Ų | 111.5 | 92% | 0.917 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 132.8 | 172.8 | -176.9 | 179.7 | 172.8 | 176 | -1.2 | 109.2 | | |
| 130 | G | 44.8 | Very low | 49.5 | Very low | 19 Ų | 19 | 111.1 Ų | 111.1 | 20% | 0.196 | 65% | 0.646 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 155.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P128 | P128-G130 PolarHBondContact O-N 2.92Š|
| 131 | P | 48.2 | Very low | 49.2 | Very low | 102 Ų | 102 | 104.1 Ų | 104.1 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 153.3 | 178.6 | 26.6 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 132 | P | 49.7 | Very low | 49.2 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53 | 142.1 | 169.6 | -23.5 | 33.4 | 0 | 0 | 0 | 111 | | |
| 133 | G | 46.7 | Very low | 49.5 | Very low | 30 Ų | 30 | 109.1 Ų | 109.1 | 31% | 0.309 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 156.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 134 | P | 50.5 | Low | 49.6 | Very low | 106 Ų | 106 | 99.5 Ų | 99.5 | 69% | 0.688 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 151.2 | 176.2 | 26.3 | -33.7 | 0 | 0 | 0 | 110.8 | G136 | P134-G136 PolarHBondContact O-N 3.46Š|
| 135 | P | 49.9 | Very low | 50.3 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 141.9 | 171.4 | -24.3 | 33.2 | 0 | 0 | 0 | 111 | | |
| 136 | G | 46.2 | Very low | 51.5 | Low | 37 Ų | 37 | 106.6 Ų | 106.6 | 38% | 0.381 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 148 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P134 | P134-G136 PolarHBondContact O-N 3.46Š|
| 137 | L | 51.7 | Low | 52.5 | Low | 158 Ų | 158 | 102.1 Ų | 102.1 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.5 | 176.5 | -68.6 | 170.7 | 0 | 0 | 0 | 109.8 | G139 | L137-G139 PolarHBondContact O-N 3.32Å; L137-G139 VanDerWaalsContact O-N 3.11Å |
| 138 | P | 53.5 | Low | 53.8 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 124.7 | 170.2 | -24.2 | 32.3 | 0 | 0 | 0 | 109 | H140 | P138-H140 PolarHBondContact O-N 2.97Å; P138-H140 PolarHBondContact O-ND1 3.13Å |
| 139 | G | 50.8 | Low | 55.2 | Low | 51 Ų | 51 | 110.4 Ų | 110.4 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | | | trans | -58 | 108.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | L137 G141 | L137-G139 PolarHBondContact O-N 3.32Å; L137-G139 VanDerWaalsContact O-N 3.11Å; G139-G141 PolarHBondContact O-N 3.23Å |
| 140 | H | 53.4 | Low | 56.3 | Low | 174 Ų | 174 | 100.9 Ų | 100.9 | 81% | 0.806 | 62% | 0.624 | S | S | * | * | | | trans | -73.8 | 79.4 | 166.4 | -70.5 | 66.7 | 0 | 0 | 0 | 105.7 | P138 I142 | P138-H140 PolarHBondContact O-N 2.97Å; P138-H140 PolarHBondContact O-ND1 3.13Å; H140-I142 PolarHBondContact O-N 3.25Å; H140-I142 VanDerWaalsContact O-N 3.15Å |
| 141 | G | 49.3 | Very low | 57.5 | Low | 43 Ų | 43 | 105.9 Ų | 105.9 | 44% | 0.443 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 121.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G139 | G139-G141 PolarHBondContact O-N 3.23Š|
| 142 | I | 53.1 | Low | 58.6 | Low | 149 Ų | 149 | 110.1 Ų | 110.1 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 127.3 | 168 | -51.4 | 163 | 0 | 0 | 0 | 105.6 | H140 G144 | H140-I142 PolarHBondContact O-N 3.25Å; H140-I142 VanDerWaalsContact O-N 3.15Å; I142-G144 PolarHBondContact O-N 3Å |
| 143 | P | 56.2 | Low | 59.1 | Low | 115 Ų | 115 | 106.6 Ų | 106.6 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 129.3 | 175.6 | -27.6 | 34.1 | 0 | 0 | 0 | 109.2 | I145 | P143-I145 PolarHBondContact O-N 3.41Š|
| 144 | G | 53.5 | Low | 59.8 | Low | 41 Ų | 41 | 115.6 Ų | 115.6 | 42% | 0.423 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -51.6 | 136.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | I142 K146 | I142-G144 PolarHBondContact O-N 3Å; G144-K146 PolarHBondContact O-N 2.84Å |
| 145 | I | 60.1 | Low | 59.9 | Low | 154 Ų | 154 | 116.8 Ų | 116.8 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 131.9 | 176.7 | 49.9 | 169.2 | 0 | 0 | 0 | 109.7 | P143 G147 | P143-I145 PolarHBondContact O-N 3.41Å; I145-G147 PolarHBondContact O-N 3.27Å |
| 146 | K | 73 | Confident | 60.1 | Low | 199 Ų | 199 | 113.9 Ų | 113.9 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.2 | 176.6 | -174.9 | 177.1 | 178.9 | 176.8 | 0 | 108.5 | G144 | G144-K146 PolarHBondContact O-N 2.84Š|
| 147 | G | 69.5 | Low | 60.6 | Low | 31 Ų | 31 | 119.9 Ų | 119.9 | 32% | 0.32 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 144.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | I145 | I145-G147 PolarHBondContact O-N 3.27Š|
| 148 | K | 73.8 | Confident | 60.7 | Low | 188 Ų | 188 | 115.4 Ų | 115.4 | 82% | 0.817 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 145.8 | 177.2 | -66 | -175.5 | 179.2 | -176.6 | 0 | 109.6 | G150 | K148-G150 PolarHBondContact O-N 3.19Š|
| 149 | P | 74.3 | Confident | 60.9 | Low | 127 Ų | 127 | 120.3 Ų | 120.3 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 141.2 | 169.9 | -24.8 | 33.9 | 0 | 0 | 0 | 110.6 | | |
| 150 | G | 73.6 | Confident | 61.5 | Low | 42 Ų | 42 | 123.8 Ų | 123.8 | 43% | 0.433 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 157.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K148 | K148-G150 PolarHBondContact O-N 3.19Š|
| 151 | P | 70.6 | Confident | 62 | Low | 125 Ų | 125 | 118.5 Ų | 118.5 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.7 | 176.5 | 25.4 | -33.1 | 0 | 0 | 0 | 110.8 | G153 | P151-G153 PolarHBondContact O-N 3.48Š|
| 152 | Q | 70.2 | Confident | 63 | Low | 190 Ų | 190 | 124.4 Ų | 124.4 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.4 | 174.4 | -178 | 172.9 | -26.3 | 0 | 0 | 109.4 | | |
| 153 | G | 61.3 | Low | 63.9 | Low | 53 Ų | 53 | 123.2 Ų | 123.2 | 55% | 0.546 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 145.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P151 | P151-G153 PolarHBondContact O-N 3.48Š|
| 154 | Y | 61.6 | Low | 64.6 | Low | 219 Ų | 219 | 120 Ų | 120 | 86% | 0.859 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 143 | 175.4 | -69.5 | -83.2 | 0 | 0 | 0 | 111 | G156 | Y154-G156 PolarHBondContact O-N 3.35Š|
| 155 | P | 52.7 | Low | 65.5 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -63.4 | 122.1 | 176.2 | -17 | 29.5 | 0 | 0 | 0 | 110.9 | | |
| 156 | G | 53.8 | Low | 66 | Low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 109.3 | 107.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y154 G158 | Y154-G156 PolarHBondContact O-N 3.35Å; G156-G158 PolarHBondContact O-N 2.86Å |
| 157 | V | 56.2 | Low | 65.8 | Low | 163 Ų | 163 | 116.9 Ų | 116.9 | 99% | 0.988 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 52 | 55.6 | 165.6 | -157.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 158 | G | 53.4 | Low | 65.7 | Low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | -120.5 | 134.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G156 | G156-G158 PolarHBondContact O-N 2.86Š|
| 159 | K | 58 | Low | 65.5 | Low | 203 Ų | 203 | 121 Ų | 121 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 151 | 171.4 | -67.1 | 178.4 | 179.5 | -179.5 | 0 | 110.5 | G161 | K159-G161 PolarHBondContact O-N 3.35Š|
| 160 | P | 64.1 | Low | 65 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 138.8 | 176.9 | -27.6 | 33.7 | 0 | 0 | 0 | 112.1 | | |
| 161 | G | 63 | Low | 64.7 | Low | 62 Ų | 62 | 119.6 Ų | 119.6 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 144.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K159 | K159-G161 PolarHBondContact O-N 3.35Š|
| 162 | M | 71 | Confident | 64.6 | Low | 168 Ų | 168 | 122.5 Ų | 122.5 | 83% | 0.828 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.4 | -177.9 | -64.9 | 179 | 73.7 | 0 | 0 | 110.9 | | |
| 163 | P | 72.2 | Confident | 64.1 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 143.8 | 172.4 | -25.8 | 34.2 | 0 | 0 | 0 | 111.8 | | |
| 164 | G | 71.3 | Confident | 64.4 | Low | 46 Ų | 46 | 121 Ų | 121 | 47% | 0.474 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 149.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 165 | M | 70.9 | Confident | 64.6 | Low | 163 Ų | 163 | 116.5 Ų | 116.5 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.5 | 178.4 | -63.1 | -179.2 | 75.3 | 0 | 0 | 111.1 | | |
| 166 | P | 72 | Confident | 65.1 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 147.8 | 171.8 | -25.4 | 34.3 | 0 | 0 | 0 | 112.3 | | |
| 167 | G | 67.5 | Low | 65.6 | Low | 41 Ų | 41 | 113.4 Ų | 113.4 | 42% | 0.423 | 72% | 0.719 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 156.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 168 | K | 68.8 | Low | 66 | Low | 180 Ų | 180 | 115.3 Ų | 115.3 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 146.9 | 175.6 | -67 | -175.8 | 178.7 | -176.2 | 0 | 110.7 | | |
| 169 | P | 68.8 | Low | 66.3 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 148.2 | 170 | -24.2 | 33.8 | 0 | 0 | 0 | 112 | | |
| 170 | G | 64 | Low | 66.6 | Low | 47 Ų | 47 | 112.5 Ų | 112.5 | 49% | 0.485 | 70% | 0.696 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 160.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 171 | A | 67.3 | Low | 66.6 | Low | 93 Ų | 93 | 114.6 Ų | 114.6 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 172 | M | 68.9 | Low | 66.4 | Low | 186 Ų | 186 | 113.1 Ų | 113.1 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.3 | 172.9 | -171.3 | 177.8 | -64.2 | 0 | 0 | 110.6 | | |
| 173 | G | 59.8 | Low | 65.8 | Low | 38 Ų | 38 | 113.6 Ų | 113.6 | 39% | 0.392 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 158.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 174 | M | 66.6 | Low | 65.3 | Low | 173 Ų | 173 | 117 Ų | 117 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 148.5 | 177.6 | -64.7 | 177.8 | 68.5 | 0 | 0 | 111.6 | | |
| 175 | P | 67.5 | Low | 64.7 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.4 | 170.7 | -23.4 | 33.7 | 0 | 0 | 0 | 112.4 | | |
| 176 | G | 62.3 | Low | 64.4 | Low | 44 Ų | 44 | 116.9 Ų | 116.9 | 45% | 0.454 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 160.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 177 | A | 64.8 | Low | 64.1 | Low | 85 Ų | 85 | 118.9 Ų | 118.9 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 178 | K | 64.3 | Low | 63.9 | Low | 204 Ų | 204 | 118.6 Ų | 118.6 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 134.6 | 172.5 | -173.5 | 179.1 | 178 | 179.7 | 0 | 109.3 | | |
| 179 | G | 58.9 | Low | 63.7 | Low | 32 Ų | 32 | 116 Ų | 116 | 33% | 0.33 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 159 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 180 | E | 65.6 | Low | 63.7 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 153.5 | -179.2 | -63.5 | -174.9 | 151 | 0 | 0 | 112.6 | | |
| 181 | I | 62.5 | Low | 63.9 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 86% | 0.862 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133 | 173.4 | -59.9 | 173.7 | 0 | 0 | 0 | 108.1 | | |
| 182 | G | 58.9 | Low | 64.1 | Low | 32 Ų | 32 | 121.6 Ų | 121.6 | 33% | 0.33 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -61 | 155.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 183 | Q | 59.1 | Low | 64.5 | Low | 177 Ų | 177 | 118.1 Ų | 118.1 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151.6 | 178.4 | -63.2 | -171.5 | 36.8 | 0 | 0 | 111.5 | | |
| 184 | K | 62.2 | Low | 65.3 | Low | 197 Ų | 197 | 119.2 Ų | 119.2 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.5 | 173.3 | -174.9 | -178.3 | 175.5 | -175.5 | 0 | 109.1 | | |
| 185 | G | 59 | Low | 65.7 | Low | 27 Ų | 27 | 117.1 Ų | 117.1 | 28% | 0.278 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 155.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 186 | E | 64.6 | Low | 66.3 | Low | 179 Ų | 179 | 120.5 Ų | 120.5 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 154.1 | 179.2 | -63.9 | -175.2 | 158.8 | 0 | 0 | 111.9 | | |
| 187 | I | 65.8 | Low | 67.1 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.1 | 174.2 | -63.1 | 168.5 | 0 | 0 | 0 | 107.7 | | |
| 188 | G | 62.3 | Low | 68 | Low | 35 Ų | 35 | 122.6 Ų | 122.6 | 36% | 0.361 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 160.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 189 | P | 64.8 | Low | 68.9 | Low | 127 Ų | 127 | 118.8 Ų | 118.8 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.5 | -179.2 | 26.3 | -34.3 | 0 | 0 | 0 | 112 | | |
| 190 | M | 67.7 | Low | 69.7 | Low | 180 Ų | 180 | 120 Ų | 120 | 89% | 0.887 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.2 | 172.9 | -175.8 | 171.6 | 64.5 | 0 | 0 | 110.3 | | |
| 191 | G | 68.5 | Low | 70 | Confident | 46 Ų | 46 | 118 Ų | 118 | 47% | 0.474 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 155.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 192 | I | 71.9 | Confident | 70.1 | Confident | 157 Ų | 157 | 122.4 Ų | 122.4 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 135.8 | 178.7 | -56.9 | 167.7 | 0 | 0 | 0 | 109.1 | | |
| 193 | P | 76.7 | Confident | 70.6 | Confident | 112 Ų | 112 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.5 | 173.1 | -25.7 | 34.7 | 0 | 0 | 0 | 112.4 | | |
| 194 | G | 76.6 | Confident | 71.3 | Confident | 61 Ų | 61 | 124.3 Ų | 124.3 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -64 | 157.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 195 | P | 76.5 | Confident | 71.8 | Confident | 129 Ų | 129 | 120.3 Ų | 120.3 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 150.2 | 177.3 | 27.1 | -34.2 | 0 | 0 | 0 | 111.6 | G197 | P195-G197 PolarHBondContact O-N 3.35Š|
| 196 | Q | 80.1 | Confident | 72.5 | Confident | 196 Ų | 196 | 125.8 Ų | 125.8 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135 | 173.2 | -174.2 | 177.7 | 1.2 | 0 | 0 | 110.1 | | |
| 197 | G | 79.1 | Confident | 73 | Confident | 52 Ų | 52 | 122.4 Ų | 122.4 | 54% | 0.536 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 157.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P195 | P195-G197 PolarHBondContact O-N 3.35Š|
| 198 | P | 82.2 | Confident | 73.5 | Confident | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62 | 151.5 | 176.4 | 26.9 | -33.9 | 0 | 0 | 0 | 111.5 | | |
| 199 | P | 83.2 | Confident | 74.3 | Confident | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143 | 171.2 | -24 | 33.5 | 0 | 0 | 0 | 112.2 | | |
| 200 | G | 76.3 | Confident | 75 | Confident | 56 Ų | 56 | 125.5 Ų | 125.5 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 154.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 201 | P | 72.1 | Confident | 75.6 | Confident | 136 Ų | 136 | 120.9 Ų | 120.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.7 | 174.9 | 27.2 | -31.1 | 0 | 0 | 0 | 111.1 | | |
| 202 | H | 64.4 | Low | 76.3 | Confident | 260 Ų | 260 | 127.7 Ų | 127.7 | 100% | 1.204 | 79% | 0.792 | S | S | * | * | | | trans | -79 | 0 | 174.5 | -71.3 | -61.8 | 0 | 0 | 0 | 112.5 | | |