| 1 | M | 56.9 | Low | 80.3 | Confident | 224 Ų | 224 | 142.1 Ų | 142.1 | 100% | 1.103 | 65% | 0.65 | S | S | * | * | | | | 0 | 21.5 | 0 | -141.9 | 79.6 | 160.4 | 0 | 0 | 113.6 | | |
| 2 | T | 67.4 | Low | 81.4 | Confident | 92 Ų | 92 | 137.7 Ų | 137.7 | 56% | 0.564 | 64% | 0.641 | S | S | * | * | | | trans | -119.9 | -22.2 | -168.5 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | R4 H5 H6 | T2-R4 VanDerWaalsContact C-N 3.3Å; T2-R4 PolarHBondContact O-N 3.41Å; T2-H5 WeakPolarHBondContact O-CB 3.18Å; T2-H5 PolarHBondContact O-N 3.3Å; T2-H6 PolarHBondContact O-CD2 3.47Å; T2-H6 PolarHBondContact O-N 3.46Å |
| 3 | W | 65.9 | Low | 82.4 | Confident | 205 Ų | 205 | 133.8 Ų | 133.8 | 78% | 0.777 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.6 | -41 | -176 | -170.1 | -109.9 | 0 | 0 | 0 | 114.1 | H5 H6 V7 | W3-H5 VanDerWaalsContact C-N 3.25Å; W3-H5 PolarHBondContact O-N 3.41Å; W3-H6 PolarHBondContact O-N 3.45Å; W3-V7 WeakPolarHBondContact O-CG2 3.22Å; W3-V7 PolarHBondContact O-N 2.93Å |
| 4 | R | 75.8 | Confident | 83.2 | Confident | 205 Ų | 205 | 128.7 Ų | 128.7 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.4 | -29.6 | 179.5 | -65 | -175.6 | 177.9 | -179 | -0.9 | 113 | T2 R8 | T2-R4 VanDerWaalsContact C-N 3.3Å; T2-R4 PolarHBondContact O-N 3.41Å; R4-R8 WeakPolarHBondContact O-CB 3.27Å; R4-R8 VanDerWaalsContact O-CG 3.3Å; R4-R8 WeakPolarHBondContact O-CG 3.42Å; R4-R8 PolarHBondContact O-N 3.2Å |
| 5 | H | 79.9 | Confident | 83.9 | Confident | 122 Ų | 122 | 125.4 Ų | 125.4 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.1 | -39.1 | 178.2 | -62.1 | -79.6 | 0 | 0 | 0 | 110.8 | T2 W3 R8 L9 | T2-H5 WeakPolarHBondContact O-CB 3.18Å; T2-H5 PolarHBondContact O-N 3.3Å; W3-H5 VanDerWaalsContact C-N 3.25Å; W3-H5 PolarHBondContact O-N 3.41Å; H5-R8 PolarHBondContact O-N 3.47Å; H5-L9 VanDerWaalsContact O-CB 3.28Å; H5-L9 WeakPolarHBondContact O-CB 3.45Å; H5-L9 PolarHBondContact O-N 3.26Å |
| 6 | H | 84.6 | Confident | 84.4 | Confident | 103 Ų | 103 | 120.4 Ų | 120.4 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.8 | -45 | 174.9 | -63.1 | -66.8 | 0 | 0 | 0 | 111.9 | T2 W3 R8 L9 L10 | T2-H6 PolarHBondContact O-CD2 3.47Å; T2-H6 PolarHBondContact O-N 3.46Å; W3-H6 PolarHBondContact O-N 3.45Å; H6-R8 PolarHBondContact O-N 3.39Å; H6-L9 PolarHBondContact O-N 3.12Å; H6-L10 WeakPolarHBondContact O-CB 3.34Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.36Å; H6-L10 PolarHBondContact O-N 2.9Å |
| 7 | V | 89 | Confident | 84.8 | Confident | 76 Ų | 76 | 119.4 Ų | 119.4 | 46% | 0.461 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.6 | -43.1 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | W3 F11 | W3-V7 WeakPolarHBondContact O-CG2 3.22Å; W3-V7 PolarHBondContact O-N 2.93Å; V7-F11 WeakPolarHBondContact O-CB 3.12Å; V7-F11 PolarHBondContact O-N 2.94Å |
| 8 | R | 87.6 | Confident | 85 | Confident | 179 Ų | 179 | 119.8 Ų | 119.8 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.5 | -40.8 | 176.4 | -76.5 | 176.4 | 166.8 | 179 | -4.8 | 112.3 | R4 H5 H6 F11 T12 | R4-R8 WeakPolarHBondContact O-CB 3.27Å; R4-R8 VanDerWaalsContact O-CG 3.3Å; R4-R8 WeakPolarHBondContact O-CG 3.42Å; R4-R8 PolarHBondContact O-N 3.2Å; H5-R8 PolarHBondContact O-N 3.47Å; H6-R8 PolarHBondContact O-N 3.39Å; R8-F11 PolarHBondContact O-N 3.08Å; R8-T12 PolarHBondContact O-N 3.18Å; R8-T12 PolarHBondContact O-OG1 3.35Å |
| 9 | L | 90.4 | Very high | 85 | Confident | 107 Ų | 107 | 119.3 Ų | 119.3 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -47.2 | 178.4 | -174.2 | 145.5 | 0 | 0 | 0 | 111.1 | H5 H6 F11 T12 V13 | H5-L9 VanDerWaalsContact O-CB 3.28Å; H5-L9 WeakPolarHBondContact O-CB 3.45Å; H5-L9 PolarHBondContact O-N 3.26Å; H6-L9 PolarHBondContact O-N 3.12Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; L9-T12 PolarHBondContact O-N 2.85Å; L9-V13 HydrophobicContact CD2-CG2 4.19Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.1Å |
| 10 | L | 93.1 | Very high | 85 | Confident | 110 Ų | 110 | 118.2 Ų | 118.2 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.1 | -43.1 | 177 | -69.7 | 174 | 0 | 0 | 0 | 111.4 | H6 T12 V13 S14 | H6-L10 WeakPolarHBondContact O-CB 3.34Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.36Å; H6-L10 PolarHBondContact O-N 2.9Å; L10-T12 PolarHBondContact O-N 2.9Å; L10-V13 PolarHBondContact O-N 2.79Å; L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.98Å; L10-S14 VanDerWaalsContact O-OG 3.1Å |
| 11 | F | 93.1 | Very high | 84.6 | Confident | 140 Ų | 140 | 117 Ų | 117 | 61% | 0.614 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.3 | -45.8 | 176.2 | -179 | -98.9 | 0 | 0 | 0 | 112.4 | V7 R8 L9 S14 L15 | V7-F11 WeakPolarHBondContact O-CB 3.12Å; V7-F11 PolarHBondContact O-N 2.94Å; R8-F11 PolarHBondContact O-N 3.08Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.86Å; F11-S14 PolarHBondContact O-N 2.95Å; F11-L15 WeakPolarHBondContact O-CB 3.07Å; F11-L15 PolarHBondContact O-N 2.86Å |
| 12 | T | 93.4 | Very high | 85.4 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 112 | R8 L9 L10 L15 A16 | R8-T12 PolarHBondContact O-N 3.18Å; R8-T12 PolarHBondContact O-OG1 3.35Å; L9-T12 PolarHBondContact O-N 2.85Å; L10-T12 PolarHBondContact O-N 2.9Å; T12-L15 PolarHBondContact O-N 3.36Å; T12-A16 WeakPolarHBondContact O-CB 3.18Å; T12-A16 PolarHBondContact O-N 3.26Å |
| 13 | V | 93.9 | Very high | 85.4 | Confident | 87 Ų | 87 | 109.9 Ų | 109.9 | 53% | 0.527 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L9 L10 L15 A16 L17 | L9-V13 HydrophobicContact CD2-CG2 4.19Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.1Å; L10-V13 PolarHBondContact O-N 2.79Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.49Å; V13-A16 PolarHBondContact O-N 3.49Å; V13-L17 WeakPolarHBondContact O-CB 3.24Å; V13-L17 PolarHBondContact O-N 3.38Å |
| 14 | S | 93.9 | Very high | 85.2 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.2 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | L10 F11 Q18 | L10-S14 WeakPolarHBondContact O-CB 3.37Å; L10-S14 PolarHBondContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.98Å; L10-S14 VanDerWaalsContact O-OG 3.1Å; F11-S14 PolarHBondContact O-N 2.95Å; S14-Q18 WeakPolarHBondContact O-CG 3.42Å; S14-Q18 PolarHBondContact O-N 2.89Å; S14-Q18 VanDerWaalsContact O-N 3.08Å; S14-Q18 PolarHBondContact O-NE2 2.91Å |
| 15 | L | 93.3 | Very high | 84.5 | Confident | 79 Ų | 79 | 98.5 Ų | 98.5 | 41% | 0.414 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 178.1 | -176.9 | 62.7 | 0 | 0 | 0 | 111.6 | F11 T12 V13 L17 Q18 I19 | F11-L15 WeakPolarHBondContact O-CB 3.07Å; F11-L15 PolarHBondContact O-N 2.86Å; T12-L15 PolarHBondContact O-N 3.36Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.49Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.46Å; L15-Q18 PolarHBondContact O-N 3.4Å; L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.49Å |
| 16 | A | 92.8 | Very high | 83.5 | Confident | 46 Ų | 46 | 99.6 Ų | 99.6 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T12 V13 Q18 I19 I20 | T12-A16 WeakPolarHBondContact O-CB 3.18Å; T12-A16 PolarHBondContact O-N 3.26Å; V13-A16 PolarHBondContact O-N 3.49Å; A16-Q18 PolarHBondContact O-N 2.88Å; A16-I19 PolarHBondContact O-N 3.45Å; A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 VanDerWaalsContact O-CG1 3.26Å; A16-I20 WeakPolarHBondContact O-CG1 2.92Å; A16-I20 PolarHBondContact O-N 3.28Å |
| 17 | L | 90.3 | Very high | 82.3 | Confident | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 179.1 | -163.2 | 65.2 | 0 | 0 | 0 | 112.2 | V13 L15 N21 | V13-L17 WeakPolarHBondContact O-CB 3.24Å; V13-L17 PolarHBondContact O-N 3.38Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.46Å; L17-N21 WeakPolarHBondContact O-CB 3.41Å; L17-N21 PolarHBondContact O-N 3.34Å; L17-N21 PolarHBondContact O-ND2 3.45Å |
| 18 | Q | 89.6 | Confident | 80.7 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 174.1 | -76.4 | 173.7 | 62.6 | 0 | 0 | 111.9 | S14 L15 A16 I20 N21 L22 | S14-Q18 WeakPolarHBondContact O-CG 3.42Å; S14-Q18 PolarHBondContact O-N 2.89Å; S14-Q18 VanDerWaalsContact O-N 3.08Å; S14-Q18 PolarHBondContact O-NE2 2.91Å; L15-Q18 PolarHBondContact O-N 3.4Å; A16-Q18 PolarHBondContact O-N 2.88Å; Q18-I20 PolarHBondContact O-N 3.33Å; Q18-N21 PolarHBondContact O-N 3.35Å; Q18-L22 VanDerWaalsContact O-CB 3.22Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 3.45Å |
| 19 | I | 85 | Confident | 79.2 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 56% | 0.559 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 179 | -66.3 | 166.1 | 0 | 0 | 0 | 111.1 | L15 A16 L22 G23 | L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.49Å; A16-I19 PolarHBondContact O-N 3.45Å; I19-L22 PolarHBondContact O-N 2.92Å; I19-G23 PolarHBondContact O-N 2.89Å |
| 20 | I | 85.1 | Confident | 77.8 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 178.3 | -67 | 163.8 | 0 | 0 | 0 | 111 | A16 Q18 L22 G23 N24 | A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 VanDerWaalsContact O-CG1 3.26Å; A16-I20 WeakPolarHBondContact O-CG1 2.92Å; A16-I20 PolarHBondContact O-N 3.28Å; Q18-I20 PolarHBondContact O-N 3.33Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.35Å; I20-G23 PolarHBondContact O-N 3.39Å; I20-N24 WeakPolarHBondContact O-CB 3.47Å; I20-N24 PolarHBondContact O-N 3.08Å |
| 21 | N | 74.8 | Confident | 76 | Confident | 94 Ų | 94 | 104.5 Ų | 104.5 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.9 | -75.9 | -50.8 | 0 | 0 | 0 | 112 | L17 Q18 N24 S25 | L17-N21 WeakPolarHBondContact O-CB 3.41Å; L17-N21 PolarHBondContact O-N 3.34Å; L17-N21 PolarHBondContact O-ND2 3.45Å; Q18-N21 PolarHBondContact O-N 3.35Å; N21-N24 PolarHBondContact O-N 3.42Å; N21-S25 WeakPolarHBondContact O-CB 3.39Å; N21-S25 PolarHBondContact O-N 2.92Å |
| 22 | L | 73.8 | Confident | 74.2 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 68% | 0.681 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68 | -39.8 | 176.6 | -160.8 | 69.3 | 0 | 0 | 0 | 111.3 | Q18 I19 I20 S25 Y26 | Q18-L22 VanDerWaalsContact O-CB 3.22Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 3.45Å; I19-L22 PolarHBondContact O-N 2.92Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 3.35Å; L22-S25 PolarHBondContact O-N 2.93Å; L22-Y26 VanDerWaalsContact O-CB 3.27Å; L22-Y26 WeakPolarHBondContact O-CB 3.48Å; L22-Y26 PolarHBondContact O-N 3.07Å |
| 23 | G | 68.4 | Low | 72.4 | Confident | 36 Ų | 36 | 99.4 Ų | 99.4 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I19 I20 Y26 Q27 | I19-G23 PolarHBondContact O-N 2.89Å; I20-G23 PolarHBondContact O-N 3.39Å; G23-Y26 PolarHBondContact O-N 3.12Å; G23-Q27 WeakPolarHBondContact O-CB 3.43Å; G23-Q27 PolarHBondContact O-N 2.76Å |
| 24 | N | 61.2 | Low | 70.6 | Confident | 101 Ų | 101 | 97.8 Ų | 97.8 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 176.9 | -77.6 | -21.4 | 0 | 0 | 0 | 112.4 | I20 N21 R28 | I20-N24 WeakPolarHBondContact O-CB 3.47Å; I20-N24 PolarHBondContact O-N 3.08Å; N21-N24 PolarHBondContact O-N 3.42Å; N24-R28 WeakPolarHBondContact O-CB 3.43Å; N24-R28 PolarHBondContact O-N 3.06Å |
| 25 | S | 61.9 | Low | 68.8 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | N21 L22 R28 E29 | N21-S25 WeakPolarHBondContact O-CB 3.39Å; N21-S25 PolarHBondContact O-N 2.92Å; L22-S25 PolarHBondContact O-N 2.93Å; S25-R28 PolarHBondContact O-N 3.03Å; S25-E29 WeakPolarHBondContact O-CB 3.28Å; S25-E29 PolarHBondContact O-N 3.49Å |
| 26 | Y | 59.4 | Low | 67 | Low | 146 Ų | 146 | 103.7 Ų | 103.7 | 57% | 0.573 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 179.6 | -175.4 | -104 | 0 | 0 | 0 | 111.7 | L22 G23 E29 K30 | L22-Y26 VanDerWaalsContact O-CB 3.27Å; L22-Y26 WeakPolarHBondContact O-CB 3.48Å; L22-Y26 PolarHBondContact O-N 3.07Å; G23-Y26 PolarHBondContact O-N 3.12Å; Y26-E29 PolarHBondContact O-N 3.48Å; Y26-K30 HydrophobicContact CE1-CG 4.23Å; Y26-K30 WeakPolarHBondContact O-CG 3.26Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 VanDerWaalsContact O-N 3.08Å; Y26-K30 WeakPolarHBondContact OH-CE 3.42Å |
| 27 | Q | 57.4 | Low | 65 | Low | 113 Ų | 113 | 107.3 Ų | 107.3 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 177.2 | -141.6 | -139.8 | 7.8 | 0 | 0 | 111.9 | G23 E29 K30 H31 | G23-Q27 WeakPolarHBondContact O-CB 3.43Å; G23-Q27 PolarHBondContact O-N 2.76Å; Q27-E29 VanDerWaalsContact C-N 3.29Å; Q27-E29 PolarHBondContact O-N 3.26Å; Q27-K30 PolarHBondContact O-N 3.44Å; Q27-H31 PolarHBondContact O-CD2 3.26Å; Q27-H31 VanDerWaalsContact O-CD2 3.26Å; Q27-H31 PolarHBondContact O-N 3.47Å; Q27-H31 VanDerWaalsContact O-N 3.12Å |
| 28 | R | 55.9 | Low | 63 | Low | 146 Ų | 146 | 107.8 Ų | 107.8 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.5 | -40.9 | 172.2 | -168.8 | -179 | -174.3 | 155.8 | 1.1 | 110.7 | N24 S25 K30 H31 N32 E36 | N24-R28 WeakPolarHBondContact O-CB 3.43Å; N24-R28 PolarHBondContact O-N 3.06Å; S25-R28 PolarHBondContact O-N 3.03Å; R28-K30 VanDerWaalsContact C-N 3.35Å; R28-K30 PolarHBondContact O-N 2.82Å; R28-H31 PolarHBondContact O-N 2.98Å; R28-N32 WeakPolarHBondContact CG-ND2 3.45Å; R28-N32 VanDerWaalsContact O-CB 3.24Å; R28-N32 WeakPolarHBondContact O-CB 3.33Å; R28-N32 PolarHBondContact O-N 3.42Å; R28-N32 VanDerWaalsContact O-N 3.07Å; R28-N32 PolarHBondContact O-ND2 3.25Å; R28-E36 IonicContact CZ-OE1 3.55Å; R28-E36 IonicContact NE-OE1 3.56Å; R28-E36 IonicContact NH2-OE1 2.74Å; R28-E36 PolarHBondContact NH2-OE1 3.33Å |
| 29 | E | 57.3 | Low | 61.2 | Low | 151 Ų | 151 | 105.1 Ų | 105.1 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.7 | -34.1 | 177.8 | -170.5 | 151.5 | -175.8 | 0 | 0 | 112.8 | S25 Y26 Q27 | S25-E29 WeakPolarHBondContact O-CB 3.28Å; S25-E29 PolarHBondContact O-N 3.49Å; Y26-E29 PolarHBondContact O-N 3.48Å; Q27-E29 VanDerWaalsContact C-N 3.29Å; Q27-E29 PolarHBondContact O-N 3.26Å |
| 30 | K | 59.6 | Low | 59.5 | Low | 135 Ų | 135 | 105.8 Ų | 105.8 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.2 | -21.3 | 176.8 | -64.4 | -61.1 | -178.2 | -175.1 | 0 | 114.7 | Y26 Q27 R28 | Y26-K30 HydrophobicContact CE1-CG 4.23Å; Y26-K30 WeakPolarHBondContact O-CG 3.26Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 VanDerWaalsContact O-N 3.08Å; Y26-K30 WeakPolarHBondContact OH-CE 3.42Å; Q27-K30 PolarHBondContact O-N 3.44Å; R28-K30 VanDerWaalsContact C-N 3.35Å; R28-K30 PolarHBondContact O-N 2.82Å |
| 31 | H | 55.5 | Low | 57.8 | Low | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.616 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -109.1 | -7.4 | -177.9 | -71.5 | -70.3 | 0 | 0 | 0 | 115.3 | Q27 R28 | Q27-H31 PolarHBondContact O-CD2 3.26Å; Q27-H31 VanDerWaalsContact O-CD2 3.26Å; Q27-H31 PolarHBondContact O-N 3.47Å; Q27-H31 VanDerWaalsContact O-N 3.12Å; R28-H31 PolarHBondContact O-N 2.98Å |
| 32 | N | 55.5 | Low | 56.8 | Low | 50 Ų | 50 | 106.5 Ų | 106.5 | 27% | 0.267 | 57% | 0.567 | S | S | . | * | | | trans | -108.9 | 6.6 | -174.2 | -72.2 | -69.5 | 0 | 0 | 0 | 116.1 | R28 G34 E36 | R28-N32 WeakPolarHBondContact CG-ND2 3.45Å; R28-N32 VanDerWaalsContact O-CB 3.24Å; R28-N32 WeakPolarHBondContact O-CB 3.33Å; R28-N32 PolarHBondContact O-N 3.42Å; R28-N32 VanDerWaalsContact O-N 3.07Å; R28-N32 PolarHBondContact O-ND2 3.25Å; N32-G34 PolarHBondContact O-N 2.99Å; N32-E36 HydrophobicContact CB-CB 4.21Å |
| 33 | G | 55.5 | Low | 55.6 | Low | 71 Ų | 71 | 104 Ų | 104 | 73% | 0.732 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 5.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 34 | G | 55.8 | Low | 54.5 | Low | 54 Ų | 54 | 108.9 Ų | 108.9 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.8 | 2.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N32 | N32-G34 PolarHBondContact O-N 2.99Š|
| 35 | R | 57.2 | Low | 53.8 | Low | 201 Ų | 201 | 113.8 Ų | 113.8 | 76% | 0.758 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -19.8 | -178.3 | -172.8 | 176.8 | 155.5 | -164.7 | -7 | 113.9 | | |
| 36 | E | 54.8 | Low | 53.2 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 30% | 0.299 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -78.8 | -28.4 | -177.6 | -147.1 | 169.8 | -171.8 | 0 | 0 | 111.5 | R28 N32 K40 | R28-E36 IonicContact CZ-OE1 3.55Å; R28-E36 IonicContact NE-OE1 3.56Å; R28-E36 IonicContact NH2-OE1 2.74Å; R28-E36 PolarHBondContact NH2-OE1 3.33Å; N32-E36 HydrophobicContact CB-CB 4.21Å; E36-K40 VanDerWaalsContact C-CE 3.49Å; E36-K40 WeakPolarHBondContact O-CE 3.46Å; E36-K40 WeakPolarHBondContact O-CG 3.27Å |
| 37 | E | 51.8 | Low | 52.7 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.5 | -29.6 | -176.6 | 55.2 | -161.4 | 149.7 | 0 | 0 | 115.1 | T39 | E37-T39 VanDerWaalsContact C-N 3.34Å; E37-T39 PolarHBondContact O-N 3.05Å |
| 38 | V | 47 | Very low | 52.3 | Low | 112 Ų | 112 | 125 Ų | 125 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.8 | -24.6 | 178.8 | -172.6 | 0 | 0 | 0 | 0 | 112 | | |
| 39 | T | 51.7 | Low | 51.5 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -88.7 | -20.2 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | E37 V41 A42 T43 | E37-T39 VanDerWaalsContact C-N 3.34Å; E37-T39 PolarHBondContact O-N 3.05Å; T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 3.44Å; T39-A42 PolarHBondContact O-N 3.37Å; T39-T43 WeakPolarHBondContact CG2-OG1 3.33Å; T39-T43 PolarHBondContact O-N 2.93Å; T39-T43 PolarHBondContact O-OG1 3.24Å; T39-T43 VanDerWaalsContact O-OG1 3.06Å |
| 40 | K | 50.5 | Low | 50.8 | Low | 124 Ų | 124 | 121.3 Ų | 121.3 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.8 | -30.9 | -178.9 | -39.7 | -168.4 | 178.2 | 166.5 | 0 | 112.4 | E36 Q44 | E36-K40 VanDerWaalsContact C-CE 3.49Å; E36-K40 WeakPolarHBondContact O-CE 3.46Å; E36-K40 WeakPolarHBondContact O-CG 3.27Å; K40-Q44 PolarHBondContact O-N 3.45Å |
| 41 | V | 49.8 | Very low | 50.3 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74 | -33.3 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | T39 | T39-V41 VanDerWaalsContact C-N 3.29Å; T39-V41 PolarHBondContact O-N 3.44Å |
| 42 | A | 53.2 | Low | 50 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -85.7 | -24.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T39 | T39-A42 PolarHBondContact O-N 3.37Å |
| 43 | T | 48.7 | Very low | 49.4 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 48% | 0.479 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -99.7 | -12.1 | -174.4 | -47 | 0 | 0 | 0 | 0 | 114.2 | T39 K45 H46 | T39-T43 WeakPolarHBondContact CG2-OG1 3.33Å; T39-T43 PolarHBondContact O-N 2.93Å; T39-T43 PolarHBondContact O-OG1 3.24Å; T39-T43 VanDerWaalsContact O-OG1 3.06Å; T43-K45 PolarHBondContact O-N 3.39Å; T43-H46 PolarHBondContact O-N 3.1Å; T43-H46 VanDerWaalsContact O-N 3.13Å |
| 44 | Q | 44.8 | Very low | 48.5 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -62.6 | -26.9 | 175.4 | -173.9 | 174 | -14.4 | 0 | 0 | 112.9 | K40 H46 | K40-Q44 PolarHBondContact O-N 3.45Å; Q44-H46 PolarHBondContact O-N 2.95Å |
| 45 | K | 46.4 | Very low | 48.2 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 89% | 0.887 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -66.4 | -16.1 | 175.4 | -102.4 | -93.1 | -178.2 | 173 | 0 | 114.3 | T43 | T43-K45 PolarHBondContact O-N 3.39Š|
| 46 | H | 49.3 | Very low | 47.5 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -107.5 | -2.8 | -173.7 | -165.3 | -86.4 | 0 | 0 | 0 | 114.3 | T43 Q44 | T43-H46 PolarHBondContact O-N 3.1Å; T43-H46 VanDerWaalsContact O-N 3.13Å; Q44-H46 PolarHBondContact O-N 2.95Å |
| 47 | R | 48 | Very low | 46.9 | Very low | 229 Ų | 229 | 133.1 Ų | 133.1 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -114.7 | 20.5 | -173.5 | -126.9 | -163.7 | -172.8 | -155.8 | 3.3 | 115.6 | | |
| 48 | Q | 49.8 | Very low | 46.9 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | | | trans | -119.7 | 63.4 | 169 | -66.9 | -173.4 | -19.4 | 0 | 0 | 109.9 | | |
| 49 | S | 39.4 | Very low | 47 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | | | trans | -99.8 | 109.3 | 150.9 | -170.5 | 0 | 0 | 0 | 0 | 106 | L51 | S49-L51 PolarHBondContact O-N 2.9Š|
| 50 | P | 42.1 | Very low | 46.8 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | trans | -69.7 | 103.7 | 178 | -6.2 | 21.6 | 0 | 0 | 0 | 107.2 | N52 | P50-N52 VanDerWaalsContact C-N 3.31Å; P50-N52 PolarHBondContact O-N 3.47Å |
| 51 | L | 49.4 | Very low | 46.4 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | -65.5 | 101.1 | 165.7 | -82.1 | 161.9 | 0 | 0 | 0 | 106.8 | S49 W53 | S49-L51 PolarHBondContact O-N 2.9Å; L51-W53 PolarHBondContact O-N 3.08Å |
| 52 | N | 48.8 | Very low | 46.3 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -55.1 | 119.6 | 164.3 | 90.6 | 55.4 | 0 | 0 | 0 | 106.2 | P50 T54 | P50-N52 VanDerWaalsContact C-N 3.31Å; P50-N52 PolarHBondContact O-N 3.47Å; N52-T54 PolarHBondContact OD1-N 3.41Å; N52-T54 PolarHBondContact OD1-OG1 3.32Å |
| 53 | W | 44 | Very low | 46.1 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | | | trans | -104.3 | 86.2 | 160.9 | 66.1 | -74.1 | 0 | 0 | 0 | 103.4 | L51 S55 | L51-W53 PolarHBondContact O-N 3.08Å; W53-S55 VanDerWaalsContact C-N 3.32Å; W53-S55 PolarHBondContact O-N 3.01Å |
| 54 | T | 37.1 | Very low | 46.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | -66.9 | 98.6 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 107.4 | N52 S56 | N52-T54 PolarHBondContact OD1-N 3.41Å; N52-T54 PolarHBondContact OD1-OG1 3.32Å; T54-S56 VanDerWaalsContact C-N 3.29Å; T54-S56 WeakPolarHBondContact CG2-OG 3.43Å; T54-S56 PolarHBondContact O-N 3.02Å |
| 55 | S | 49 | Very low | 46.3 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -66 | 86.9 | 161.3 | 162.2 | 0 | 0 | 0 | 0 | 108.6 | W53 | W53-S55 VanDerWaalsContact C-N 3.32Å; W53-S55 PolarHBondContact O-N 3.01Å |
| 56 | S | 42.9 | Very low | 46.5 | Very low | 77 Ų | 77 | 139 Ų | 139 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | | | trans | -166.4 | 108.6 | 158.6 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | T54 | T54-S56 VanDerWaalsContact C-N 3.29Å; T54-S56 WeakPolarHBondContact CG2-OG 3.43Å; T54-S56 PolarHBondContact O-N 3.02Å |
| 57 | H | 41.6 | Very low | 46.8 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | 158.4 | 71.1 | 138.3 | -85.5 | -69.7 | 0 | 0 | 0 | 109.7 | | |
| 58 | F | 51.2 | Low | 46.6 | Very low | 228 Ų | 228 | 135.6 Ų | 135.6 | 100% | 1 | 76% | 0.759 | S | S | * | * | | | trans | -80.1 | 107 | 145.1 | -112.2 | -93.9 | 0 | 0 | 0 | 105.4 | | |
| 59 | G | 50.2 | Low | 46.4 | Very low | 54 Ų | 54 | 130.4 Ų | 130.4 | 56% | 0.557 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 154.2 | 102 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 60 | E | 46.3 | Very low | 46.8 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | trans | 76.3 | 86.4 | 146.9 | -152.9 | 166.3 | 165.6 | 0 | 0 | 117.6 | | |
| 61 | V | 42.5 | Very low | 47 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -137.1 | 92.5 | 143.5 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 62 | T | 48.5 | Very low | 46.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | | | trans | -65.8 | 122.7 | 146.2 | -60.9 | 0 | 0 | 0 | 0 | 107 | | |
| 63 | G | 47.8 | Very low | 47.4 | Very low | 56 Ų | 56 | 135.4 Ų | 135.4 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | | | trans | 139.6 | 112.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 64 | S | 54.7 | Low | 47.4 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 72.3 | 92.7 | 163 | -163.5 | 0 | 0 | 0 | 0 | 117.5 | E66 | S64-E66 PolarHBondContact OG-OE2 3.27Š|
| 65 | A | 44.3 | Very low | 47.8 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -124.3 | 78.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | G67 | A65-G67 PolarHBondContact O-N 3.47Š|
| 66 | E | 50.5 | Low | 47.4 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -61.7 | 121.3 | 158.5 | -103.9 | 78 | -158.8 | 0 | 0 | 108.4 | S64 | S64-E66 PolarHBondContact OG-OE2 3.27Š|
| 67 | G | 55.1 | Low | 47.4 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 125 | 110 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A65 | A65-G67 PolarHBondContact O-N 3.47Š|
| 68 | W | 42.6 | Very low | 47.1 | Very low | 266 Ų | 266 | 143 Ų | 143 | 100% | 1.008 | 79% | 0.792 | S | S | * | * | | | trans | 92.1 | 56.2 | 168.9 | -44.5 | 104.8 | 0 | 0 | 0 | 117.2 | | |
| 69 | G | 46.6 | Very low | 46.8 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -108.6 | 151.5 | 141 | 0 | 0 | 0 | 0 | 0 | 109.3 | E71 | G69-E71 PolarHBondContact O-N 3.42Š|
| 70 | P | 47.7 | Very low | 46.2 | Very low | 137 Ų | 137 | 142 Ų | 142 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -65 | 120.3 | 164.9 | -7.2 | 22.1 | 0 | 0 | 0 | 108.4 | | |
| 71 | E | 45.8 | Very low | 45.8 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -53.4 | 145.2 | -179.1 | -77.6 | -162.8 | 126.8 | 0 | 0 | 113.6 | G69 | G69-E71 PolarHBondContact O-N 3.42Š|
| 72 | E | 42.2 | Very low | 45.6 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -46 | 144.3 | 173.3 | -90.3 | 86.4 | 175.4 | 0 | 0 | 115.4 | | |
| 73 | P | 64.5 | Low | 45.2 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -96.8 | 107.3 | 169.1 | 32.8 | -26.4 | 0 | 0 | 0 | 112.3 | | |
| 74 | L | 43.6 | Very low | 44.8 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -157.2 | 159.6 | 163.5 | -70.7 | 177.7 | 0 | 0 | 0 | 110.1 | | |
| 75 | P | 47.3 | Very low | 43.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | cis | -127.9 | 169 | -28.2 | 34.7 | -15.9 | 0 | 0 | 0 | 113.4 | | |
| 76 | Y | 38.9 | Very low | 43.7 | Very low | 220 Ų | 220 | 139 Ų | 139 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | | | trans | -13.3 | 143.5 | 162.3 | -164.6 | -104.2 | 0 | 0 | 0 | 120.6 | | |
| 77 | S | 42.8 | Very low | 43.8 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | 115.3 | 128.6 | 159.8 | -48.4 | 0 | 0 | 0 | 0 | 113 | | |
| 78 | W | 35.5 | Very low | 42.7 | Very low | 234 Ų | 234 | 144.3 Ų | 144.3 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | | | cis | -154.9 | 142.4 | 42.4 | -161.1 | -157.7 | 0 | 0 | 0 | 111.8 | | |
| 79 | A | 46 | Very low | 42.6 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | | | trans | -81.1 | 138.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 80 | F | 38.3 | Very low | 42.2 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | | | trans | -172 | 143.3 | 135.2 | -137.1 | -101.1 | 0 | 0 | 0 | 112.9 | | |
| 81 | G | 37.7 | Very low | 41.9 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | 119.3 | 107.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 82 | E | 37.2 | Very low | 41.8 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | cis | -163.4 | 144.6 | 0.7 | -179.4 | 70.4 | -135 | 0 | 0 | 104.4 | | |
| 83 | V | 40.4 | Very low | 41.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | | | trans | -55.1 | 132.2 | 172.4 | 144.3 | 0 | 0 | 0 | 0 | 111.3 | A85 | V83-A85 HydrophobicContact CG1-CB 4.16Š|
| 84 | N | 38.7 | Very low | 41.1 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | trans | -129.4 | 95.7 | 136.8 | -85.9 | -51.4 | 0 | 0 | 0 | 107.9 | | |
| 85 | A | 37.1 | Very low | 41 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | trans | -66.4 | 153.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | V83 | V83-A85 HydrophobicContact CG1-CB 4.16Š|
| 86 | A | 40.2 | Very low | 40.8 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | cis | -173.2 | -152.5 | 11.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 87 | P | 51.6 | Low | 41.2 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | | -134.5 | 130.9 | -115.3 | 35.4 | -12.8 | 0 | 0 | 0 | 113.8 | | |
| 88 | W | 31.7 | Very low | 41 | Very low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | -167.5 | 121.5 | 158.6 | 50.2 | -56.5 | 0 | 0 | 0 | 112.4 | | |
| 89 | S | 40.9 | Very low | 41.3 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | 19.2 | 117.6 | 131 | -44.8 | 0 | 0 | 0 | 0 | 117 | | |
| 90 | T | 38 | Very low | 41 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | | -167.3 | 103.3 | 124.7 | -65.2 | 0 | 0 | 0 | 0 | 107.5 | P92 | T90-P92 HydrophobicContact CG2-CG 4.23Š|
| 91 | E | 42.3 | Very low | 41.1 | Very low | 175 Ų | 175 | 118.4 Ų | 118.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -70 | 141.5 | 151.8 | -149.1 | -160.8 | 118 | 0 | 0 | 107.5 | G93 | E91-G93 PolarHBondContact OE1-N 3.01Š|
| 92 | P | 42.4 | Very low | 41.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | trans | -136.2 | 106.9 | 134.6 | 22.3 | -2.9 | 0 | 0 | 0 | 111.6 | T90 | T90-P92 HydrophobicContact CG2-CG 4.23Š|
| 93 | G | 35.6 | Very low | 41.1 | Very low | 51 Ų | 51 | 116.3 Ų | 116.3 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | | | | 75.4 | 153.5 | 116.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | E91 | E91-G93 PolarHBondContact OE1-N 3.01Š|
| 94 | P | 56.9 | Low | 41.3 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | trans | -96.5 | 149.3 | -152.1 | 36.9 | -31.4 | 0 | 0 | 0 | 113.3 | | |
| 95 | S | 41.5 | Very low | 41.4 | Very low | 124 Ų | 124 | 115 Ų | 115 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -148 | 90.3 | 163.5 | -74 | 0 | 0 | 0 | 0 | 111 | | |
| 96 | A | 42.2 | Very low | 41.9 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 46.7 | 149.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 97 | P | 49.3 | Very low | 41.9 | Very low | 124 Ų | 124 | 115.4 Ų | 115.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -92 | 153 | -169.4 | 37.8 | -32.2 | 0 | 0 | 0 | 112.7 | | |
| 98 | A | 38.4 | Very low | 41.1 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -142.2 | 99.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 99 | T | 41.8 | Very low | 41.6 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -56.2 | 130.1 | 161.9 | -44.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 100 | S | 39.8 | Very low | 41.3 | Very low | 111 Ų | 111 | 112.1 Ų | 112.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -153.1 | 122.3 | 146.3 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 101 | A | 39.4 | Very low | 41.4 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | 43.2 | 111.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 102 | G | 37 | Very low | 41.5 | Very low | 80 Ų | 80 | 109.6 Ų | 109.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -74.9 | 166.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 103 | A | 38.7 | Very low | 41.2 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -162.1 | 100.5 | 146 | 0 | 0 | 0 | 0 | 0 | 108.5 | S105 | A103-S105 PolarHBondContact O-N 3.47Š|
| 104 | S | 43.4 | Very low | 41.3 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -61.6 | 119.4 | 157.1 | 162.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 105 | S | 42.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -96.5 | 86.9 | 167.5 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | A103 | A103-S105 PolarHBondContact O-N 3.47Š|
| 106 | G | 45.6 | Very low | 40.6 | Very low | 51 Ų | 51 | 124.4 Ų | 124.4 | 53% | 0.526 | 82% | 0.818 | S | S | . | * | | | trans | -70.8 | 173.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 107 | P | 40.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | trans | -76 | 141.1 | -168.2 | 31.6 | -33.4 | 0 | 0 | 0 | 112.1 | T109 | P107-T109 PolarHBondContact O-N 2.84Å; P107-T109 VanDerWaalsContact O-N 3.16Å |
| 108 | C | 36.3 | Very low | 39.7 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -63.9 | 115.2 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 109 | T | 41.1 | Very low | 39.6 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | -86.8 | 133.6 | 164.4 | 43.7 | 0 | 0 | 0 | 0 | 109.2 | P107 | P107-T109 PolarHBondContact O-N 2.84Å; P107-T109 VanDerWaalsContact O-N 3.16Å |
| 110 | A | 35.1 | Very low | 39.5 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -135.7 | 103.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 111 | S | 39 | Very low | 39.5 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -134 | 142.7 | 157.2 | -96.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 112 | P | 45 | Very low | 39 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | | | | -152.8 | 157.2 | 71.6 | 35.9 | -14.2 | 0 | 0 | 0 | 117.9 | | |
| 113 | S | 36.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 54.4 | 116.8 | 134.3 | -160.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 114 | R | 37.9 | Very low | 39.3 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | | | trans | -153.9 | 111.2 | 138.5 | -146.6 | 174.2 | -95.3 | -129.4 | 1.4 | 114.5 | | |
| 115 | R | 38.6 | Very low | 39 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | 54.4 | 107.7 | 144.7 | -70.4 | 178.3 | -172.3 | -105 | -1.6 | 120.7 | T117 | R115-T117 PolarHBondContact O-N 3.46Š|
| 116 | L | 43.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | trans | -58.4 | 123.1 | 138.2 | -73.5 | 158 | 0 | 0 | 0 | 109.2 | | |
| 117 | T | 37 | Very low | 38.6 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | -128.4 | 110.6 | 161.4 | -22.2 | 0 | 0 | 0 | 0 | 107.3 | R115 V119 | R115-T117 PolarHBondContact O-N 3.46Å; T117-V119 PolarHBondContact O-N 2.85Å |
| 118 | A | 37.6 | Very low | 38.7 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -63.2 | 121.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 119 | V | 36.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 144.4 Ų | 144.4 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -92.5 | 103.6 | 161 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | T117 R121 | T117-V119 PolarHBondContact O-N 2.85Å; V119-R121 PolarHBondContact O-N 3.02Å |
| 120 | T | 38.4 | Very low | 39 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -64.1 | 117 | 167.5 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 121 | R | 40 | Very low | 38.8 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | 29.3 | 118.9 | 141.7 | -159.9 | -179.4 | -165.7 | -177.2 | 6.1 | 118.1 | V119 | V119-R121 PolarHBondContact O-N 3.02Š|
| 122 | K | 29 | Very low | 38.8 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | -140.9 | 112.5 | 131.5 | -119.1 | 178.2 | -176.8 | -176.4 | 0 | 110.7 | S124 | K122-S124 PolarHBondContact O-N 2.87Š|
| 123 | T | 47.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | | | trans | -63.7 | 116.6 | 163 | -53.8 | 0 | 0 | 0 | 0 | 108 | | |
| 124 | S | 34 | Very low | 38.6 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -154.3 | 125.2 | 154.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | K122 | K122-S124 PolarHBondContact O-N 2.87Š|
| 125 | W | 36.8 | Very low | 38.9 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 166 | 171.5 | -73.8 | 87.4 | 0 | 0 | 0 | 112.6 | | |
| 126 | P | 41.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 159.5 | -155.2 | 35.4 | -34 | 0 | 0 | 0 | 112.7 | T128 | P126-T128 PolarHBondContact O-N 2.74Š|
| 127 | P | 38.7 | Very low | 38.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 120.8 | 159.9 | 30.5 | -27.7 | 0 | 0 | 0 | 109.2 | L129 | P127-L129 PolarHBondContact O-N 3.03Š|
| 128 | T | 42.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | | | trans | -54.1 | 113.6 | 159.4 | -48.8 | 0 | 0 | 0 | 0 | 108.7 | P126 | P126-T128 PolarHBondContact O-N 2.74Š|
| 129 | L | 38.3 | Very low | 38.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -113 | 96.6 | 161.8 | -79.3 | 170.6 | 0 | 0 | 0 | 108.5 | P127 G131 | P127-L129 PolarHBondContact O-N 3.03Å; L129-G131 PolarHBondContact O-N 3.13Å |
| 130 | T | 45.1 | Very low | 38.6 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -46.8 | 114.5 | 151.7 | 26.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 131 | G | 31.6 | Very low | 38.8 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -170.4 | 82.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L129 A133 | L129-G131 PolarHBondContact O-N 3.13Å; G131-A133 PolarHBondContact O-N 3.24Å |
| 132 | R | 37.9 | Very low | 39.2 | Very low | 252 Ų | 252 | 136.8 Ų | 136.8 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | | | trans | -66.8 | 107.2 | 168.1 | -177.6 | -179.6 | -174.7 | -172.6 | 1.7 | 108.3 | | |
| 133 | A | 34.9 | Very low | 39.9 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | -120.5 | 119.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G131 | G131-A133 PolarHBondContact O-N 3.24Š|
| 134 | P | 43.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -81.6 | 131 | 178.6 | 31.2 | -28.3 | 0 | 0 | 0 | 109.8 | | |
| 135 | G | 43.4 | Very low | 39.5 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 103.8 | 66.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 136 | A | 34.5 | Very low | 39.7 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -137.1 | 105.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 137 | R | 41.6 | Very low | 39.7 | Very low | 243 Ų | 243 | 130.6 Ų | 130.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | -64 | 130.6 | 171 | -67.6 | 176.9 | 168.9 | -171.8 | -3.7 | 107.4 | A139 | R137-A139 PolarHBondContact O-N 2.99Š|
| 138 | P | 38.7 | Very low | 39.7 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -64.1 | 126.9 | 167.3 | 26.4 | -29.4 | 0 | 0 | 0 | 107.5 | C140 | P138-C140 PolarHBondContact O-N 3.24Å; P138-C140 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 38.8 | Very low | 39.8 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | | | trans | -59.1 | 115.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108 | R137 Y141 | R137-A139 PolarHBondContact O-N 2.99Å; A139-Y141 HydrophobicContact CB-CD2 3.71Å; A139-Y141 HydrophobicContact CB-CE2 3.88Å; A139-Y141 PolarHBondContact O-N 3.3Å |
| 140 | C | 34.5 | Very low | 40 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | | | trans | -65.3 | 79 | 167.8 | -74.4 | 0 | 0 | 0 | 0 | 109 | P138 S142 | P138-C140 PolarHBondContact O-N 3.24Å; P138-C140 VanDerWaalsContact O-N 3.1Å; C140-S142 PolarHBondContact O-N 3.18Å |
| 141 | Y | 42.2 | Very low | 39.8 | Very low | 212 Ų | 212 | 124.8 Ų | 124.8 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | | | trans | -84.2 | 90.1 | 162.5 | -86.6 | -83.6 | 0 | 0 | 0 | 108.3 | A139 | A139-Y141 HydrophobicContact CB-CD2 3.71Å; A139-Y141 HydrophobicContact CB-CE2 3.88Å; A139-Y141 PolarHBondContact O-N 3.3Å |
| 142 | S | 48.8 | Very low | 40.2 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 155.7 | 141.1 | 138.9 | 63.1 | 0 | 0 | 0 | 0 | 108.6 | C140 | C140-S142 PolarHBondContact O-N 3.18Š|
| 143 | C | 42.1 | Very low | 40.3 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 77.7 | 73.1 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 144 | C | 36.4 | Very low | 40.4 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | trans | -168 | 124.5 | 136.2 | -98.5 | 0 | 0 | 0 | 0 | 110 | | |
| 145 | P | 36.4 | Very low | 40.1 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -67.9 | 137 | 165.1 | 6.1 | 6.2 | 0 | 0 | 0 | 109.5 | H147 | P145-H147 PolarHBondContact O-N 3.07Š|
| 146 | A | 41.8 | Very low | 39.7 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 27.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 147 | H | 40.9 | Very low | 39.9 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 3.4 | -174.2 | -91.1 | -74 | 0 | 0 | 0 | 117.2 | P145 | P145-H147 PolarHBondContact O-N 3.07Š|
| 148 | S | 38.8 | Very low | 39.8 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -122.3 | 6.8 | -174.8 | 42.8 | 0 | 0 | 0 | 0 | 116 | T150 | S148-T150 PolarHBondContact O-N 3.3Š|
| 149 | C | 44.4 | Very low | 39.8 | Very low | 88 Ų | 88 | 137.4 Ų | 137.4 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 36.8 | -171.8 | -63.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 150 | T | 43.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -9.6 | 174.2 | 47.5 | 0 | 0 | 0 | 0 | 115.3 | S148 | S148-T150 PolarHBondContact O-N 3.3Š|
| 151 | A | 40.4 | Very low | 39.9 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -103.4 | -25.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 152 | S | 40.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -96.6 | -23.1 | -167.5 | -160 | 0 | 0 | 0 | 0 | 114.9 | A154 | S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 2.92Å |
| 153 | C | 39.8 | Very low | 39.1 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -82.2 | -6.9 | -173.3 | -61.1 | 0 | 0 | 0 | 0 | 114.7 | R155 | C153-R155 PolarHBondContact O-N 3.45Š|
| 154 | A | 37.2 | Very low | 39.1 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -82.3 | -7.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S152 | S152-A154 VanDerWaalsContact C-N 3.34Å; S152-A154 PolarHBondContact O-N 2.92Å |
| 155 | R | 37.5 | Very low | 38.9 | Very low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -124.1 | 32.2 | -169.1 | -149.3 | -174.5 | -103.1 | -160.4 | -3.4 | 115.7 | C153 | C153-R155 PolarHBondContact O-N 3.45Š|
| 156 | M | 35.8 | Very low | 39 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -115.1 | 78.1 | 167.8 | -72.7 | -124.6 | -81.2 | 0 | 0 | 110.7 | | |
| 157 | R | 39.1 | Very low | 39.3 | Very low | 237 Ų | 237 | 148.1 Ų | 148.1 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | | | trans | -75.3 | 128.6 | 156.4 | -80.5 | -173.2 | 178.4 | -174.5 | 0.2 | 107.6 | R159 | R157-R159 PolarHBondContact O-N 3.06Š|
| 158 | P | 38.5 | Very low | 38.7 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -70.9 | 117.6 | 172.9 | 27.5 | -29.1 | 0 | 0 | 0 | 108.7 | T160 | P158-T160 PolarHBondContact O-N 3.25Š|
| 159 | R | 38.8 | Very low | 38.8 | Very low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 82% | 0.822 | S | S | * | * | | | trans | -82.2 | 109.1 | 164 | -81.2 | -172.3 | 174 | 174.3 | -1.4 | 107.8 | R157 L161 | R157-R159 PolarHBondContact O-N 3.06Å; R159-L161 PolarHBondContact O-N 2.89Å |
| 160 | T | 34.2 | Very low | 38.3 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 84% | 0.84 | 84% | 0.835 | S | S | * | * | | | trans | -59.8 | 124.9 | 169.8 | -40.1 | 0 | 0 | 0 | 0 | 109.4 | P158 G162 | P158-T160 PolarHBondContact O-N 3.25Å; T160-G162 PolarHBondContact O-N 3.27Å |
| 161 | L | 41.4 | Very low | 37.8 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -70.8 | 120.3 | 173 | -83.8 | 152.6 | 0 | 0 | 0 | 109.6 | R159 | R159-L161 PolarHBondContact O-N 2.89Š|
| 162 | G | 30.9 | Very low | 37.8 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 84% | 0.838 | S | S | * | * | | | trans | -109.4 | 152.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | T160 | T160-G162 PolarHBondContact O-N 3.27Š|
| 163 | P | 42.5 | Very low | 37.4 | Very low | 130 Ų | 130 | 145 Ų | 145 | 84% | 0.844 | 84% | 0.842 | S | S | * | * | | | trans | -84.7 | 145.6 | -164.3 | 32.5 | -30.5 | 0 | 0 | 0 | 113.6 | | |
| 164 | W | 42.5 | Very low | 37.3 | Very low | 258 Ų | 258 | 144.3 Ų | 144.3 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | | | trans | 16.2 | 122.2 | 160.7 | -89 | 16.4 | 0 | 0 | 0 | 120.7 | | |
| 165 | S | 31.2 | Very low | 37.6 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | | | trans | -161.6 | 111.4 | 142.1 | 44.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 166 | L | 39.1 | Very low | 37.6 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 84% | 0.841 | S | S | * | * | | | trans | -70.5 | 161.4 | 146.1 | -82.2 | 153.3 | 0 | 0 | 0 | 107.6 | | |
| 167 | P | 47.7 | Very low | 38.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 84% | 0.84 | S | S | * | * | | | cis | -139.3 | 178.3 | 25.1 | 38.5 | -18.1 | 0 | 0 | 0 | 114.5 | | |
| 168 | S | 29.1 | Very low | 38 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | | | | 162.4 | 131.5 | 116.7 | -150.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 169 | S | 41.5 | Very low | 38.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | | | trans | -84.6 | 125.9 | 179.2 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 170 | S | 34.2 | Very low | 38.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -166.8 | 130.5 | 149.2 | 66.2 | 0 | 0 | 0 | 0 | 112 | | |
| 171 | G | 32.7 | Very low | 38.4 | Very low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | | | trans | 104.4 | 83.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 172 | S | 39.9 | Very low | 38.2 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | | | | 31.6 | 114 | 129.1 | -179.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 173 | G | 31.8 | Very low | 38.5 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 152 | 95.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 174 | A | 38 | Very low | 38.2 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -101.6 | 164.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 175 | P | 43.5 | Very low | 38 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | cis | -122.7 | 130.3 | -26.8 | 31.8 | -15 | 0 | 0 | 0 | 110.4 | E177 | P175-E177 PolarHBondContact O-N 3.31Š|
| 176 | A | 38.1 | Very low | 38.2 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -88.8 | 101.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | G178 | A176-G178 VanDerWaalsContact C-N 3.33Å; A176-G178 PolarHBondContact O-N 2.98Å |
| 177 | E | 45.6 | Very low | 38.1 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 89.2 | 174.5 | -154 | 172.7 | 148.3 | 0 | 0 | 109.6 | P175 | P175-E177 PolarHBondContact O-N 3.31Š|
| 178 | G | 36.9 | Very low | 37.7 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -124.2 | 80.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | A176 D180 | A176-G178 VanDerWaalsContact C-N 3.33Å; A176-G178 PolarHBondContact O-N 2.98Å; G178-D180 PolarHBondContact O-N 2.92Å |
| 179 | R | 41 | Very low | 37.9 | Very low | 224 Ų | 224 | 126.3 Ų | 126.3 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -70.8 | 87.8 | 167.3 | -68.4 | -175.7 | 177.5 | -159.2 | -0 | 107.4 | L181 | R179-L181 PolarHBondContact O-N 3.18Š|
| 180 | D | 38.6 | Very low | 37.8 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 91.2 | 158.8 | -100.8 | -25.7 | 0 | 0 | 0 | 107.1 | G178 G182 | G178-D180 PolarHBondContact O-N 2.92Å; D180-G182 PolarHBondContact O-N 3.05Å |
| 181 | L | 40.4 | Very low | 37.9 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -71.7 | 71.8 | 161.7 | -78.3 | 164.3 | 0 | 0 | 0 | 107.1 | R179 I183 | R179-L181 PolarHBondContact O-N 3.18Å; L181-I183 VanDerWaalsContact C-N 3.35Å; L181-I183 PolarHBondContact O-N 2.75Å |
| 182 | G | 36.2 | Very low | 38.1 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | | | trans | -62.4 | 99.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | D180 A184 | D180-G182 PolarHBondContact O-N 3.05Å; G182-A184 VanDerWaalsContact C-N 3.28Å; G182-A184 PolarHBondContact O-N 3.43Å |
| 183 | I | 37.4 | Very low | 38 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 67% | 0.672 | 80% | 0.799 | S | S | * | * | | | trans | -64.4 | 95.7 | 170 | -60 | 171 | 0 | 0 | 0 | 106.3 | L181 F185 | L181-I183 VanDerWaalsContact C-N 3.35Å; L181-I183 PolarHBondContact O-N 2.75Å; I183-F185 HydrophobicContact CB-CE2 4.28Å; I183-F185 HydrophobicContact CG2-CD2 4.01Å; I183-F185 HydrophobicContact CG2-CE1 4.35Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CZ 3.83Å; I183-F185 PolarHBondContact O-N 2.9Å; I183-F185 VanDerWaalsContact O-N 3.08Å |
| 184 | A | 35.9 | Very low | 38.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 99.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | G182 N186 | G182-A184 VanDerWaalsContact C-N 3.28Å; G182-A184 PolarHBondContact O-N 3.43Å; A184-N186 VanDerWaalsContact C-N 3.27Å; A184-N186 PolarHBondContact O-N 3.16Å |
| 185 | F | 38.5 | Very low | 38.4 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | | | trans | -70.4 | 90 | 165 | -70.8 | -83.6 | 0 | 0 | 0 | 108.4 | I183 F187 | I183-F185 HydrophobicContact CB-CE2 4.28Å; I183-F185 HydrophobicContact CG2-CD2 4.01Å; I183-F185 HydrophobicContact CG2-CE1 4.35Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CZ 3.83Å; I183-F185 PolarHBondContact O-N 2.9Å; I183-F185 VanDerWaalsContact O-N 3.08Å; F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 HydrophobicContact CB-CD2 3.97Å; F185-F187 HydrophobicContact CB-CE2 3.7Å; F185-F187 HydrophobicContact CG-CE2 4.32Å; F185-F187 PolarHBondContact O-N 3.46Å |
| 186 | N | 36.5 | Very low | 38.1 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -70.3 | 90.2 | 163.6 | -84.6 | -76.3 | 0 | 0 | 0 | 107.8 | A184 L188 | A184-N186 VanDerWaalsContact C-N 3.27Å; A184-N186 PolarHBondContact O-N 3.16Å; N186-L188 PolarHBondContact O-N 3.39Å; N186-L188 VanDerWaalsContact O-N 3.14Å |
| 187 | F | 37 | Very low | 38.1 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | | | trans | -71.7 | 102.1 | 160.8 | -75.2 | -83.7 | 0 | 0 | 0 | 107.1 | F185 C189 | F185-F187 VanDerWaalsContact C-N 3.27Å; F185-F187 HydrophobicContact CB-CD2 3.97Å; F185-F187 HydrophobicContact CB-CE2 3.7Å; F185-F187 HydrophobicContact CG-CE2 4.32Å; F185-F187 PolarHBondContact O-N 3.46Å; F187-C189 VanDerWaalsContact C-N 3.27Å; F187-C189 PolarHBondContact O-N 3.32Å |
| 188 | L | 38.1 | Very low | 37.5 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | -61.2 | 97.1 | 161.3 | -107.6 | 81.4 | 0 | 0 | 0 | 106.9 | N186 C190 | N186-L188 PolarHBondContact O-N 3.39Å; N186-L188 VanDerWaalsContact O-N 3.14Å; L188-C190 PolarHBondContact O-N 3Å; L188-C190 VanDerWaalsContact O-N 3.12Å |
| 189 | C | 34.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -65.9 | 107.6 | 160 | -80.5 | 0 | 0 | 0 | 0 | 106.9 | F187 K191 | F187-C189 VanDerWaalsContact C-N 3.27Å; F187-C189 PolarHBondContact O-N 3.32Å; C189-K191 PolarHBondContact O-N 3.5Å |
| 190 | C | 37.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -54.5 | 135.2 | 167.2 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | L188 | L188-C190 PolarHBondContact O-N 3Å; L188-C190 VanDerWaalsContact O-N 3.12Å |
| 191 | K | 36.5 | Very low | 37.2 | Very low | 275 Ų | 275 | 142.8 Ų | 142.8 | 100% | 1.196 | 79% | 0.786 | S | S | * | * | | | trans | -66.9 | 0 | -174.9 | -171 | 173.9 | -179.6 | 161.8 | 0 | 113.1 | C189 | C189-K191 PolarHBondContact O-N 3.5Š|