| 1 | M | 61.6 | Low | 82.4 | Confident | 196 Ų | 196 | 116.3 Ų | 116.3 | 97% | 0.966 | 60% | 0.598 | S | S | * | * | | | | 0 | -39.6 | 0 | -64.8 | -52.3 | -173.3 | 0 | 0 | 114.1 | K3 L4 | M1-K3 PolarHBondContact O-N 3.18Å; M1-L4 PolarHBondContact O-N 3.21Å |
| 2 | A | 70.1 | Confident | 83.1 | Confident | 59 Ų | 59 | 114.4 Ų | 114.4 | 49% | 0.488 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57 | -38.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L4 H5 Y6 | A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.21Å; A2-H5 PolarHBondContact O-N 2.93Å; A2-H5 VanDerWaalsContact O-N 3.12Å; A2-Y6 HydrophobicContact CB-CE2 4.23Å; A2-Y6 WeakPolarHBondContact O-CD2 3.39Å; A2-Y6 PolarHBondContact O-N 2.88Å |
| 3 | K | 73.5 | Confident | 83.7 | Confident | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.9 | -36.5 | -178.8 | -65.9 | -178.1 | 179.7 | 179.2 | 0 | 113.1 | M1 A7 | M1-K3 PolarHBondContact O-N 3.18Å; K3-A7 PolarHBondContact O-N 2.95Å; K3-A7 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 82.3 | Confident | 84.2 | Confident | 125 Ų | 125 | 113.4 Ų | 113.4 | 65% | 0.654 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.8 | -37.5 | 178.3 | -167.4 | 103.8 | 0 | 0 | 0 | 111.1 | M1 A2 A7 F8 | M1-L4 PolarHBondContact O-N 3.21Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.21Å; L4-A7 PolarHBondContact O-N 3.3Å; L4-F8 VanDerWaalsContact O-CB 3.32Å; L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.15Å |
| 5 | H | 84.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.2 | -44.2 | 179.1 | -67.1 | 3.4 | 0 | 0 | 0 | 111.6 | A2 A7 F8 I9 | A2-H5 PolarHBondContact O-N 2.93Å; A2-H5 VanDerWaalsContact O-N 3.12Å; H5-A7 PolarHBondContact O-N 3.03Å; H5-F8 PolarHBondContact O-N 2.91Å; H5-I9 WeakPolarHBondContact O-CD1 3.43Å; H5-I9 VanDerWaalsContact O-CG1 3.23Å; H5-I9 WeakPolarHBondContact O-CG1 3.48Å; H5-I9 PolarHBondContact O-N 3.03Å |
| 6 | Y | 85.8 | Confident | 84.6 | Confident | 171 Ų | 171 | 109.2 Ų | 109.2 | 67% | 0.671 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 175.6 | -67 | -67.7 | 0 | 0 | 0 | 112.4 | A2 F8 I9 A10 | A2-Y6 HydrophobicContact CB-CE2 4.23Å; A2-Y6 WeakPolarHBondContact O-CD2 3.39Å; A2-Y6 PolarHBondContact O-N 2.88Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 2.82Å; Y6-I9 PolarHBondContact O-N 3.18Å; Y6-A10 VanDerWaalsContact O-CB 3.32Å; Y6-A10 WeakPolarHBondContact O-CB 3.02Å; Y6-A10 PolarHBondContact O-N 2.93Å |
| 7 | A | 88 | Confident | 84.5 | Confident | 62 Ų | 62 | 110.4 Ų | 110.4 | 51% | 0.512 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K3 L4 H5 A10 L11 | K3-A7 PolarHBondContact O-N 2.95Å; K3-A7 VanDerWaalsContact O-N 3.15Å; L4-A7 PolarHBondContact O-N 3.3Å; H5-A7 PolarHBondContact O-N 3.03Å; A7-A10 PolarHBondContact O-N 2.97Å; A7-L11 PolarHBondContact O-N 3.49Å |
| 8 | F | 89.7 | Confident | 84.4 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 52% | 0.522 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.4 | -44.6 | 177.1 | -175.9 | -106.5 | 0 | 0 | 0 | 112 | L4 H5 Y6 A10 L11 L12 | L4-F8 VanDerWaalsContact O-CB 3.32Å; L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.15Å; H5-F8 PolarHBondContact O-N 2.91Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 2.82Å; F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 PolarHBondContact O-N 2.63Å; F8-L11 WeakPolarHBondContact O-CB 3.46Å; F8-L11 PolarHBondContact O-N 3.29Å; F8-L12 HydrophobicContact CD1-CD1 3.92Å; F8-L12 HydrophobicContact CD1-CG 4.41Å; F8-L12 HydrophobicContact CE1-CD1 3.48Å; F8-L12 VanDerWaalsContact CE1-CD1 3.48Å; F8-L12 HydrophobicContact CE1-CG 4.1Å; F8-L12 HydrophobicContact CZ-CD1 3.99Å; F8-L12 HydrophobicContact CZ-CD2 4.33Å; F8-L12 HydrophobicContact CZ-CG 4.24Å; F8-L12 WeakPolarHBondContact O-CG 3.23Å; F8-L12 PolarHBondContact O-N 3.17Å |
| 9 | I | 88.6 | Confident | 84.1 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 46% | 0.456 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -43.1 | 175 | -65.6 | 164.4 | 0 | 0 | 0 | 110.4 | H5 Y6 L11 L12 L13 | H5-I9 WeakPolarHBondContact O-CD1 3.43Å; H5-I9 VanDerWaalsContact O-CG1 3.23Å; H5-I9 WeakPolarHBondContact O-CG1 3.48Å; H5-I9 PolarHBondContact O-N 3.03Å; Y6-I9 PolarHBondContact O-N 3.18Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 2.99Å; I9-L13 HydrophobicContact CG2-CD1 4.08Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.44Å |
| 10 | A | 91.5 | Very high | 83.8 | Confident | 49 Ų | 49 | 111.2 Ų | 111.2 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.9 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y6 A7 F8 L13 V14 | Y6-A10 VanDerWaalsContact O-CB 3.32Å; Y6-A10 WeakPolarHBondContact O-CB 3.02Å; Y6-A10 PolarHBondContact O-N 2.93Å; A7-A10 PolarHBondContact O-N 2.97Å; F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 PolarHBondContact O-N 2.63Å; A10-L13 PolarHBondContact O-N 3.39Å; A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 VanDerWaalsContact O-CG2 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.98Å |
| 11 | L | 90 | Very high | 83 | Confident | 108 Ų | 108 | 110.9 Ų | 110.9 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -45.2 | 175.2 | -169.8 | 84 | 0 | 0 | 0 | 111.6 | A7 F8 I9 L13 V14 L15 | A7-L11 PolarHBondContact O-N 3.49Å; F8-L11 WeakPolarHBondContact O-CB 3.46Å; F8-L11 PolarHBondContact O-N 3.29Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 3.36Å; L11-V14 PolarHBondContact O-N 2.91Å; L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 PolarHBondContact O-N 3.37Å |
| 12 | L | 91.5 | Very high | 83 | Confident | 94 Ų | 94 | 103.6 Ų | 103.6 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.3 | -29.2 | 177.8 | -72.3 | -179.6 | 0 | 0 | 0 | 113.2 | F8 I9 P16 | F8-L12 HydrophobicContact CD1-CD1 3.92Å; F8-L12 HydrophobicContact CD1-CG 4.41Å; F8-L12 HydrophobicContact CE1-CD1 3.48Å; F8-L12 VanDerWaalsContact CE1-CD1 3.48Å; F8-L12 HydrophobicContact CE1-CG 4.1Å; F8-L12 HydrophobicContact CZ-CD1 3.99Å; F8-L12 HydrophobicContact CZ-CD2 4.33Å; F8-L12 HydrophobicContact CZ-CG 4.24Å; F8-L12 WeakPolarHBondContact O-CG 3.23Å; F8-L12 PolarHBondContact O-N 3.17Å; I9-L12 PolarHBondContact O-N 2.99Å; L12-P16 WeakPolarHBondContact O-CD 3.27Å; L12-P16 VanDerWaalsContact O-CG 3.27Å; L12-P16 WeakPolarHBondContact O-CG 2.91Å |
| 13 | L | 90.7 | Very high | 82.5 | Confident | 124 Ų | 124 | 108 Ų | 108 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -81.6 | -38.7 | 176.2 | -68.9 | 172.9 | 0 | 0 | 0 | 112.4 | I9 A10 L11 | I9-L13 HydrophobicContact CG2-CD1 4.08Å; I9-L13 HydrophobicContact CG2-CG 4.49Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 3.39Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 3.36Å |
| 14 | V | 90.5 | Very high | 81.6 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.8 | -37.2 | -177.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | A10 L11 L17 Y18 | A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 VanDerWaalsContact O-CG2 3.25Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 2.98Å; L11-V14 PolarHBondContact O-N 2.91Å; V14-L17 PolarHBondContact O-N 2.89Å; V14-Y18 WeakPolarHBondContact O-CB 3.37Å; V14-Y18 PolarHBondContact O-N 3.16Å |
| 15 | L | 88 | Confident | 80.3 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | -173.8 | -178.1 | 67.8 | 0 | 0 | 0 | 113.5 | L11 L17 Y18 L19 | L11-L15 VanDerWaalsContact O-CB 3.27Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 PolarHBondContact O-N 3.37Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.06Å; L15-Y18 PolarHBondContact O-N 2.88Å; L15-L19 HydrophobicContact CD1-CD1 4.4Å; L15-L19 HydrophobicContact CD1-CG 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.24Å |
| 16 | P | 86.5 | Confident | 78.9 | Confident | 68 Ų | 68 | 100.4 Ų | 100.4 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.9 | -21.4 | 33.5 | 0 | 0 | 0 | 112.3 | L12 L19 C20 | L12-P16 WeakPolarHBondContact O-CD 3.27Å; L12-P16 VanDerWaalsContact O-CG 3.27Å; L12-P16 WeakPolarHBondContact O-CG 2.91Å; P16-L19 PolarHBondContact O-N 3.29Å; P16-C20 WeakPolarHBondContact O-CB 3.47Å; P16-C20 PolarHBondContact O-N 3.02Å; P16-C20 PolarHBondContact O-SG 3.35Å |
| 17 | L | 83.1 | Confident | 77.3 | Confident | 130 Ų | 130 | 101.4 Ų | 101.4 | 68% | 0.681 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 178.4 | -170.1 | 68.7 | 0 | 0 | 0 | 111.2 | V14 L15 N21 | V14-L17 PolarHBondContact O-N 2.89Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.06Å; L17-N21 WeakPolarHBondContact O-CB 3.34Å; L17-N21 PolarHBondContact O-N 3.14Å |
| 18 | Y | 82.4 | Confident | 75.6 | Confident | 163 Ų | 163 | 101.8 Ų | 101.8 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 175.3 | -176 | -97 | 0 | 0 | 0 | 112 | V14 L15 N21 A22 | V14-Y18 WeakPolarHBondContact O-CB 3.37Å; V14-Y18 PolarHBondContact O-N 3.16Å; L15-Y18 PolarHBondContact O-N 2.88Å; Y18-N21 PolarHBondContact O-N 3.18Å; Y18-A22 WeakPolarHBondContact O-CB 3.27Å; Y18-A22 PolarHBondContact O-N 3.1Å |
| 19 | L | 79.7 | Confident | 73.8 | Confident | 97 Ų | 97 | 104.8 Ų | 104.8 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.8 | -71.5 | 171.5 | 0 | 0 | 0 | 112.5 | L15 P16 A22 H23 | L15-L19 HydrophobicContact CD1-CD1 4.4Å; L15-L19 HydrophobicContact CD1-CG 4.5Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.24Å; P16-L19 PolarHBondContact O-N 3.29Å; L19-A22 PolarHBondContact O-N 3.27Å; L19-H23 WeakPolarHBondContact O-CB 3.44Å; L19-H23 PolarHBondContact O-N 2.92Å |
| 20 | C | 76.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -42.2 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | P16 H23 S24 | P16-C20 WeakPolarHBondContact O-CB 3.47Å; P16-C20 PolarHBondContact O-N 3.02Å; P16-C20 PolarHBondContact O-SG 3.35Å; C20-H23 WeakPolarHBondContact O-CB 3.32Å; C20-H23 PolarHBondContact O-N 3.18Å; C20-S24 PolarHBondContact O-N 3.47Å; C20-S24 VanDerWaalsContact O-N 3.09Å |
| 21 | N | 67.9 | Low | 70.3 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -43.1 | 176.6 | -166.9 | 35.2 | 0 | 0 | 0 | 111.5 | L17 Y18 H23 S24 H25 | L17-N21 WeakPolarHBondContact O-CB 3.34Å; L17-N21 PolarHBondContact O-N 3.14Å; Y18-N21 PolarHBondContact O-N 3.18Å; N21-H23 VanDerWaalsContact C-N 3.31Å; N21-H23 PolarHBondContact O-N 2.98Å; N21-S24 PolarHBondContact O-N 3.39Å; N21-S24 PolarHBondContact O-OG 2.77Å; N21-H25 PolarHBondContact O-N 3.1Å |
| 22 | A | 61.6 | Low | 68.5 | Low | 44 Ų | 44 | 113.7 Ų | 113.7 | 36% | 0.364 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.8 | -35.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y18 L19 H25 S26 | Y18-A22 WeakPolarHBondContact O-CB 3.27Å; Y18-A22 PolarHBondContact O-N 3.1Å; L19-A22 PolarHBondContact O-N 3.27Å; A22-H25 PolarHBondContact O-N 2.9Å; A22-S26 PolarHBondContact O-N 3.3Å; A22-S26 VanDerWaalsContact O-N 3.14Å; A22-S26 PolarHBondContact O-OG 3.09Å |
| 23 | H | 58.7 | Low | 66.7 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 69% | 0.694 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.7 | -39.7 | 174.7 | -116.8 | 75.7 | 0 | 0 | 0 | 112.3 | L19 C20 N21 H25 S26 R27 | L19-H23 WeakPolarHBondContact O-CB 3.44Å; L19-H23 PolarHBondContact O-N 2.92Å; C20-H23 WeakPolarHBondContact O-CB 3.32Å; C20-H23 PolarHBondContact O-N 3.18Å; N21-H23 VanDerWaalsContact C-N 3.31Å; N21-H23 PolarHBondContact O-N 2.98Å; H23-H25 VanDerWaalsContact C-N 3.27Å; H23-H25 PolarHBondContact O-N 3Å; H23-S26 PolarHBondContact O-N 3.34Å; H23-R27 PolarHBondContact O-N 2.87Å |
| 24 | S | 55.3 | Low | 64.6 | Low | 72 Ų | 72 | 111.6 Ų | 111.6 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -35.8 | 175.1 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | C20 N21 S26 | C20-S24 PolarHBondContact O-N 3.47Å; C20-S24 VanDerWaalsContact O-N 3.09Å; N21-S24 PolarHBondContact O-N 3.39Å; N21-S24 PolarHBondContact O-OG 2.77Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.07Å |
| 25 | H | 54.9 | Low | 62.8 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.6 | -24.1 | 179 | -134.9 | -61.3 | 0 | 0 | 0 | 113.3 | N21 A22 H23 | N21-H25 PolarHBondContact O-N 3.1Å; A22-H25 PolarHBondContact O-N 2.9Å; H23-H25 VanDerWaalsContact C-N 3.27Å; H23-H25 PolarHBondContact O-N 3Å |
| 26 | S | 54.6 | Low | 60.8 | Low | 61 Ų | 61 | 116.8 Ų | 116.8 | 43% | 0.427 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -78.1 | -41.5 | 179.1 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | A22 H23 S24 S28 R29 E30 | A22-S26 PolarHBondContact O-N 3.3Å; A22-S26 VanDerWaalsContact O-N 3.14Å; A22-S26 PolarHBondContact O-OG 3.09Å; H23-S26 PolarHBondContact O-N 3.34Å; S24-S26 VanDerWaalsContact C-N 3.32Å; S24-S26 PolarHBondContact O-N 3.07Å; S26-S28 PolarHBondContact O-N 3.05Å; S26-R29 PolarHBondContact O-N 3.28Å; S26-E30 PolarHBondContact O-N 3.39Å |
| 27 | R | 54 | Low | 59 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.3 | -26.7 | -179.6 | -135.2 | -175.1 | -169.6 | -164.6 | 3.5 | 113.6 | H23 | H23-R27 PolarHBondContact O-N 2.87Å |
| 28 | S | 51.4 | Low | 57.4 | Low | 70 Ų | 70 | 126.7 Ų | 126.7 | 49% | 0.49 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.1 | -29.9 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 113 | S26 I31 L32 | S26-S28 PolarHBondContact O-N 3.05Å; S28-I31 PolarHBondContact O-N 3.23Å; S28-L32 PolarHBondContact O-N 3.24Å |
| 29 | R | 52.8 | Low | 56 | Low | 183 Ų | 183 | 124.1 Ų | 124.1 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.1 | -28.9 | 175.9 | -85.5 | -173.7 | 158.8 | 156.3 | -3 | 112.9 | S26 I31 L32 L33 | S26-R29 PolarHBondContact O-N 3.28Å; R29-I31 PolarHBondContact O-N 3.4Å; R29-L32 PolarHBondContact O-N 2.93Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 PolarHBondContact O-N 2.98Å |
| 30 | E | 52.8 | Low | 54.2 | Low | 133 Ų | 133 | 129 Ų | 129 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.4 | -26.2 | 175.1 | -61.6 | 171.6 | -140.3 | 0 | 0 | 112.3 | S26 | S26-E30 PolarHBondContact O-N 3.39Å |
| 31 | I | 53.9 | Low | 52.6 | Low | 143 Ų | 143 | 130.2 Ų | 130.2 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -88 | -26.4 | 178.2 | -60.8 | 169.9 | 0 | 0 | 0 | 111.4 | S28 R29 | S28-I31 PolarHBondContact O-N 3.23Å; R29-I31 PolarHBondContact O-N 3.4Å |
| 32 | L | 51.6 | Low | 51.3 | Low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -85.7 | -22.7 | 177.4 | -129.9 | 111.1 | 0 | 0 | 0 | 113.1 | S28 R29 G34 | S28-L32 PolarHBondContact O-N 3.24Å; R29-L32 PolarHBondContact O-N 2.93Å; L32-G34 PolarHBondContact O-N 3.36Å |
| 33 | L | 53 | Low | 50.2 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -97.6 | 69.3 | 167.1 | -70.3 | 157.7 | 0 | 0 | 0 | 108.3 | R29 | R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 PolarHBondContact O-N 2.98Å |
| 34 | G | 46.9 | Very low | 49.7 | Very low | 49 Ų | 49 | 132 Ų | 132 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | | | trans | -45.2 | 153.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L32 L36 | L32-G34 PolarHBondContact O-N 3.36Å; G34-L36 PolarHBondContact O-N 2.91Å |
| 35 | P | 52.5 | Low | 49.3 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -37.8 | 109.2 | -154.4 | 15.9 | -31.2 | 0 | 0 | 0 | 111.5 | R37 | P35-R37 PolarHBondContact O-N 3.41Š|
| 36 | L | 47.5 | Very low | 49 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | | | trans | -50.9 | 107.4 | 175.7 | -170.5 | 74.2 | 0 | 0 | 0 | 106.6 | G34 H38 | G34-L36 PolarHBondContact O-N 2.91Å; L36-H38 PolarHBondContact O-N 3.29Å |
| 37 | R | 48.4 | Very low | 48.6 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | | | trans | -47 | 112.3 | -170.7 | -76.4 | -178.1 | 158.1 | -175.4 | -6.1 | 109.1 | P35 P39 | P35-R37 PolarHBondContact O-N 3.41Å; R37-P39 WeakPolarHBondContact O-CD 3.25Å |
| 38 | H | 48.9 | Very low | 48.1 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -49.5 | 118.1 | 169.1 | -141.1 | 38.3 | 0 | 0 | 0 | 107.6 | L36 H40 | L36-H38 PolarHBondContact O-N 3.29Å; H38-H40 PolarHBondContact O-N 3.22Å |
| 39 | P | 53.1 | Low | 48 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | trans | -67.3 | 110.5 | 169.7 | 25.8 | -28.3 | 0 | 0 | 0 | 106.7 | R37 S41 | R37-P39 WeakPolarHBondContact O-CD 3.25Å; P39-S41 PolarHBondContact O-N 2.69Å |
| 40 | H | 41.2 | Very low | 47.8 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -44.9 | 105.3 | 165.6 | -82.5 | -69.4 | 0 | 0 | 0 | 109.7 | H38 | H38-H40 PolarHBondContact O-N 3.22Š|
| 41 | S | 44.2 | Very low | 47.8 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -149.1 | 105.4 | 168.7 | 170.9 | 0 | 0 | 0 | 0 | 109 | P39 | P39-S41 PolarHBondContact O-N 2.69Š|
| 42 | G | 41 | Very low | 48.2 | Very low | 63 Ų | 63 | 147.9 Ų | 147.9 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | 91.3 | 91.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 43 | S | 37.8 | Very low | 48.7 | Very low | 95 Ų | 95 | 146 Ų | 146 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | | 35.4 | 117.9 | 123.8 | 59.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 44 | H | 48.9 | Very low | 49.1 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | | -177.2 | 140.5 | 110.9 | -88.4 | -64.9 | 0 | 0 | 0 | 110.2 | | |
| 45 | H | 45.7 | Very low | 49 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -34.7 | 133.8 | 176.8 | -68.6 | -80.5 | 0 | 0 | 0 | 117 | | |
| 46 | E | 48.6 | Very low | 48.7 | Very low | 201 Ų | 201 | 148 Ų | 148 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | | | trans | -140.7 | 128 | 133 | -111.7 | -165.6 | 132.5 | 0 | 0 | 110.7 | | |
| 47 | R | 46.7 | Very low | 48.9 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | trans | -83.2 | 141.3 | -173.7 | -82.6 | -174.8 | -177.9 | -170.4 | 1.5 | 110.6 | | |
| 48 | H | 43 | Very low | 48.5 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | | 51.3 | 101 | 128 | -139.9 | -21.1 | 0 | 0 | 0 | 117.6 | D50 | H48-D50 IonicContact CE1-OD2 3.3Å; H48-D50 PolarHBondContact CE1-OD2 3.21Å; H48-D50 VanDerWaalsContact CE1-OD2 3.3Å; H48-D50 IonicContact ND1-OD2 3.59Å |
| 49 | G | 50.2 | Low | 48.3 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | trans | -153.8 | 97.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | F51 | G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 3.14Å |
| 50 | D | 48.1 | Very low | 48.3 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -63.9 | 90.6 | 169 | -62.9 | -60.5 | 0 | 0 | 0 | 108.3 | H48 | H48-D50 IonicContact CE1-OD2 3.3Å; H48-D50 PolarHBondContact CE1-OD2 3.21Å; H48-D50 VanDerWaalsContact CE1-OD2 3.3Å; H48-D50 IonicContact ND1-OD2 3.59Å |
| 51 | F | 51.8 | Low | 48.4 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -120.6 | 111 | 171.9 | -98.2 | -91.8 | 0 | 0 | 0 | 108.9 | G49 | G49-F51 VanDerWaalsContact C-N 3.27Å; G49-F51 PolarHBondContact O-N 3.14Å |
| 52 | L | 62.4 | Low | 48.3 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -46.8 | 145.3 | 174.3 | -65.1 | 161.3 | 0 | 0 | 0 | 111.4 | | |
| 53 | P | 62.3 | Low | 48.8 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | trans | -66 | 129.6 | 178.1 | 26.7 | -32.3 | 0 | 0 | 0 | 110 | N55 | P53-N55 PolarHBondContact O-N 3.19Š|
| 54 | P | 61.7 | Low | 48.9 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 96.7 | 169.2 | 28.5 | -30.2 | 0 | 0 | 0 | 108.4 | G56 | P54-G56 PolarHBondContact O-N 3.48Š|
| 55 | N | 45.7 | Very low | 48.6 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -54.2 | 112.1 | 149.1 | -105.5 | -14.3 | 0 | 0 | 0 | 107.1 | P53 | P53-N55 PolarHBondContact O-N 3.19Š|
| 56 | G | 46.2 | Very low | 48.6 | Very low | 51 Ų | 51 | 137.9 Ų | 137.9 | 53% | 0.526 | 78% | 0.777 | S | S | . | * | | | trans | 175.3 | 94.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | P54 | P54-G56 PolarHBondContact O-N 3.48Š|
| 57 | H | 50.6 | Low | 48.5 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 88.5 | 97 | 135.9 | -48.5 | -55.5 | 0 | 0 | 0 | 120.3 | | |
| 58 | H | 40.6 | Very low | 48.2 | Very low | 194 Ų | 194 | 131.7 Ų | 131.7 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | | 39.9 | 110.7 | 126.2 | -66.3 | -66.3 | 0 | 0 | 0 | 120.1 | | |
| 59 | G | 44.3 | Very low | 48.3 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -143.2 | 148.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 60 | P | 54 | Low | 48.4 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -95 | 139.5 | -138.3 | 33 | -30.3 | 0 | 0 | 0 | 116.2 | | |
| 61 | G | 41.7 | Very low | 49.1 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | 60.4 | 103.1 | 131.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 62 | H | 43.6 | Very low | 48.8 | Very low | 154 Ų | 154 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | 2.6 | 147.2 | 142.4 | -88.6 | -37.9 | 0 | 0 | 0 | 120.1 | H64 | H62-H64 AromaticContact CD2-CD2 3.69Å; H62-H64 AromaticContact CD2-NE2 3.69Å; H62-H64 AromaticContact CE1-CD2 3.39Å; H62-H64 PolarHBondContact CE1-CD2 2.67Å; H62-H64 AromaticContact CE1-NE2 3.34Å; H62-H64 PolarHBondContact CE1-NE2 3.23Å; H62-H64 VanDerWaalsContact CE1-NE2 3.34Å; H62-H64 AromaticContact CG-CD2 3.68Å; H62-H64 AromaticContact ND1-CD2 3.48Å; H62-H64 PolarHBondContact ND1-CD2 3.44Å; H62-H64 AromaticContact ND1-NE2 3.91Å; H62-H64 AromaticContact NE2-CD2 3.55Å; H62-H64 AromaticContact NE2-NE2 3.19Å; H62-H64 PolarHBondContact NE2-NE2 3.29Å; H62-H64 VanDerWaalsContact NE2-NE2 3.19Å |
| 63 | P | 50.8 | Low | 47.9 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | | -128.3 | 141.6 | 75.8 | 29.7 | -14.2 | 0 | 0 | 0 | 115 | S65 | P63-S65 PolarHBondContact O-N 3.35Š|
| 64 | H | 39.7 | Very low | 46.9 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 61% | 0.611 | 77% | 0.765 | S | S | * | * | | | trans | -44.9 | 117.3 | 161 | -75.2 | -111.4 | 0 | 0 | 0 | 110.8 | H62 | H62-H64 AromaticContact CD2-CD2 3.69Å; H62-H64 AromaticContact CD2-NE2 3.69Å; H62-H64 AromaticContact CE1-CD2 3.39Å; H62-H64 PolarHBondContact CE1-CD2 2.67Å; H62-H64 AromaticContact CE1-NE2 3.34Å; H62-H64 PolarHBondContact CE1-NE2 3.23Å; H62-H64 VanDerWaalsContact CE1-NE2 3.34Å; H62-H64 AromaticContact CG-CD2 3.68Å; H62-H64 AromaticContact ND1-CD2 3.48Å; H62-H64 PolarHBondContact ND1-CD2 3.44Å; H62-H64 AromaticContact ND1-NE2 3.91Å; H62-H64 AromaticContact NE2-CD2 3.55Å; H62-H64 AromaticContact NE2-NE2 3.19Å; H62-H64 PolarHBondContact NE2-NE2 3.29Å; H62-H64 VanDerWaalsContact NE2-NE2 3.19Å |
| 65 | S | 43.4 | Very low | 46 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -104 | 80.5 | 157.2 | -74.4 | 0 | 0 | 0 | 0 | 108.3 | P63 L67 | P63-S65 PolarHBondContact O-N 3.35Å; S65-L67 PolarHBondContact O-N 3.1Å |
| 66 | T | 45.8 | Very low | 46.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -62.8 | 80.2 | 157.2 | 41.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 67 | L | 46.3 | Very low | 47 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -111.5 | 71.2 | 158.6 | -76.8 | 174.8 | 0 | 0 | 0 | 107.7 | S65 F69 | S65-L67 PolarHBondContact O-N 3.1Å; L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 HydrophobicContact CB-CD2 4.21Å; L67-F69 HydrophobicContact CB-CE2 4.31Å; L67-F69 HydrophobicContact CD2-CE2 4.01Å; L67-F69 PolarHBondContact O-N 3.35Å |
| 68 | Q | 40.2 | Very low | 47.4 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | | | trans | -65.1 | 89.9 | 160.2 | -102.2 | -172.4 | 30.8 | 0 | 0 | 107.8 | H70 | Q68-H70 PolarHBondContact O-N 2.92Å; Q68-H70 PolarHBondContact OE1-CD2 2.95Å; Q68-H70 PolarHBondContact OE1-NE2 3.34Å |
| 69 | F | 44 | Very low | 48.5 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -83.6 | 88.6 | 161.4 | -86.5 | -86.3 | 0 | 0 | 0 | 108 | L67 P71 | L67-F69 VanDerWaalsContact C-N 3.27Å; L67-F69 HydrophobicContact CB-CD2 4.21Å; L67-F69 HydrophobicContact CB-CE2 4.31Å; L67-F69 HydrophobicContact CD2-CE2 4.01Å; L67-F69 PolarHBondContact O-N 3.35Å; F69-P71 WeakPolarHBondContact O-CD 3.46Å |
| 70 | H | 53.8 | Low | 48.7 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | trans | -82.1 | 118.7 | 163.9 | -80.6 | -109.4 | 0 | 0 | 0 | 108.5 | Q68 | Q68-H70 PolarHBondContact O-N 2.92Å; Q68-H70 PolarHBondContact OE1-CD2 2.95Å; Q68-H70 PolarHBondContact OE1-NE2 3.34Å |
| 71 | P | 62.6 | Low | 48 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -67.8 | 130 | 168.8 | 26.6 | -30.8 | 0 | 0 | 0 | 109.4 | F69 G73 | F69-P71 WeakPolarHBondContact O-CD 3.46Å; P71-G73 PolarHBondContact O-N 2.89Å |
| 72 | P | 45.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 139 Ų | 139 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | | | trans | -76.6 | 107 | 174.4 | 29.5 | -28.8 | 0 | 0 | 0 | 108.5 | | |
| 73 | G | 43.2 | Very low | 48.2 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -170.5 | 34.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | P71 R75 | P71-G73 PolarHBondContact O-N 2.89Å; G73-R75 PolarHBondContact O-N 2.99Å; G73-R75 VanDerWaalsContact O-N 3.14Å |
| 74 | H | 40.8 | Very low | 47.7 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | | | trans | -70.8 | 98 | 170.4 | -75.8 | -70.9 | 0 | 0 | 0 | 111.5 | | |
| 75 | R | 44.4 | Very low | 47.8 | Very low | 251 Ų | 251 | 132.9 Ų | 132.9 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | | | trans | -152.2 | 77.4 | 151.7 | -75 | -160.3 | 178.7 | 169.1 | -0.5 | 110.4 | G73 | G73-R75 PolarHBondContact O-N 2.99Å; G73-R75 VanDerWaalsContact O-N 3.14Å |
| 76 | G | 51.2 | Low | 48 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -125.4 | 131.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 77 | P | 59.9 | Low | 48.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 152 | -175.5 | 28.3 | -32.4 | 0 | 0 | 0 | 111.7 | | |
| 78 | P | 60.4 | Low | 48.2 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.6 | -171.6 | 28.4 | -33.7 | 0 | 0 | 0 | 111.9 | H80 | P78-H80 PolarHBondContact O-N 3.29Š|
| 79 | P | 62.4 | Low | 48.9 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 119 | 173.8 | 27.8 | -30.3 | 0 | 0 | 0 | 109.8 | H81 | P79-H81 PolarHBondContact O-N 3Š|
| 80 | H | 48.8 | Very low | 49 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.9 | 175.2 | -76.8 | -91.1 | 0 | 0 | 0 | 110.9 | P78 | P78-H80 PolarHBondContact O-N 3.29Š|
| 81 | H | 40 | Very low | 48.9 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 137.3 | 167.7 | -59.2 | -81.6 | 0 | 0 | 0 | 112.3 | P79 | P79-H81 PolarHBondContact O-N 3Š|
| 82 | S | 45.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -175.5 | 113.8 | 146.3 | -78 | 0 | 0 | 0 | 0 | 112.3 | | |
| 83 | G | 43.5 | Very low | 48.2 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 122.7 | 110.1 | 147 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 84 | P | 41.4 | Very low | 48.5 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | -88 | 115.6 | 161.4 | 31.9 | -22.4 | 0 | 0 | 0 | 109.4 | | |
| 85 | G | 41 | Very low | 48.6 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | -123.2 | 111.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 86 | F | 47.8 | Very low | 49 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | trans | -57.5 | 148.8 | -171.8 | -62.8 | -91.4 | 0 | 0 | 0 | 118 | | |
| 87 | H | 47.3 | Very low | 48.9 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | 45 | 123.4 | 141 | -66.3 | -67 | 0 | 0 | 0 | 120.7 | | |
| 88 | D | 48.7 | Very low | 48.6 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | | -173.5 | 145.4 | 110.5 | -96.4 | -45.5 | 0 | 0 | 0 | 114.3 | | |
| 89 | Q | 54.3 | Low | 48.5 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 163.6 | -164.4 | -96.3 | -176.7 | -16.3 | 0 | 0 | 117.9 | | |
| 90 | P | 47 | Very low | 48 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 127.1 | 164.8 | 33.8 | -27.3 | 0 | 0 | 0 | 112.6 | | |
| 91 | H | 52.1 | Low | 49 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124.5 | 173.7 | -78.3 | -74.4 | 0 | 0 | 0 | 112.3 | | |
| 92 | H | 44.7 | Very low | 50.4 | Low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 140.5 | 171 | -67.2 | -89.2 | 0 | 0 | 0 | 112.2 | | |
| 93 | L | 49 | Very low | 50.8 | Low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -146.8 | 120.1 | 152.5 | -85.9 | 171.1 | 0 | 0 | 0 | 109.5 | | |
| 94 | P | 47.5 | Very low | 51.1 | Low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -94.7 | 114.2 | 172.2 | 32.4 | -24.4 | 0 | 0 | 0 | 110.6 | | |
| 95 | G | 43.5 | Very low | 51.7 | Low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -94.5 | 124.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 96 | H | 52.3 | Low | 52 | Low | 203 Ų | 203 | 141.8 Ų | 141.8 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | | | trans | -68.6 | 151.5 | 178.9 | -72.7 | -69.7 | 0 | 0 | 0 | 115.1 | | |
| 97 | G | 50.1 | Low | 52.1 | Low | 56 Ų | 56 | 136.4 Ų | 136.4 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | | | trans | 147.2 | 103.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 98 | P | 53.7 | Low | 52.2 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | | | trans | -91.5 | 116.5 | 167.2 | 32.6 | -24.4 | 0 | 0 | 0 | 110.3 | | |
| 99 | H | 58.5 | Low | 52.3 | Low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -104.2 | 116.2 | 167.6 | -64.8 | -68.6 | 0 | 0 | 0 | 108.9 | | |
| 100 | G | 51 | Low | 52.4 | Low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 161.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 101 | P | 69.2 | Low | 52.7 | Low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 147.5 | -176.4 | 31.9 | -33.7 | 0 | 0 | 0 | 112.7 | | |
| 102 | P | 70 | Confident | 52.4 | Low | 133 Ų | 133 | 134.2 Ų | 134.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 141.7 | 169.8 | 29.2 | -30.2 | 0 | 0 | 0 | 111.4 | | |
| 103 | S | 53.8 | Low | 52.6 | Low | 91 Ų | 91 | 131.3 Ų | 131.3 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 153.3 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 104 | H | 49.7 | Very low | 52.6 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 86.2 | 120.5 | 158.7 | -49.6 | -60.5 | 0 | 0 | 0 | 119.4 | | |
| 105 | H | 53.8 | Low | 52.5 | Low | 186 Ų | 186 | 134.3 Ų | 134.3 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | | -174.5 | 136 | 100 | -84.8 | -59.2 | 0 | 0 | 0 | 111.7 | | |
| 106 | P | 48 | Very low | 52.7 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -101.7 | 137.1 | 170.1 | 35.4 | -25.7 | 0 | 0 | 0 | 112 | | |
| 107 | G | 49.3 | Very low | 52.6 | Low | 60 Ų | 60 | 137.5 Ų | 137.5 | 62% | 0.619 | 78% | 0.781 | S | S | * | * | | | trans | 164.4 | 121.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 108 | H | 51.1 | Low | 52.5 | Low | 200 Ų | 200 | 140.5 Ų | 140.5 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | | -161.2 | 141 | 60.6 | -69.7 | -85 | 0 | 0 | 0 | 110.8 | | |
| 109 | R | 50.7 | Low | 52.5 | Low | 203 Ų | 203 | 135.9 Ų | 135.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -131.5 | 136.3 | 155.8 | -162 | -171.6 | -176.8 | 169.7 | 4.2 | 105.6 | H111 | R109-H111 PolarHBondContact NE-NE2 3.48Å; R109-H111 PolarHBondContact NH2-CE1 3.38Å; R109-H111 PolarHBondContact NH2-NE2 3.27Å; R109-H111 VanDerWaalsContact NH2-NE2 3.18Å |
| 110 | P | 55.3 | Low | 52.4 | Low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | | -149.4 | 166.7 | 109 | 29 | -7 | 0 | 0 | 0 | 114.9 | | |
| 111 | H | 53 | Low | 52.8 | Low | 147 Ų | 147 | 138.2 Ų | 138.2 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -66.3 | 151 | -173.4 | -68.5 | -106.5 | 0 | 0 | 0 | 115.2 | R109 | R109-H111 PolarHBondContact NE-NE2 3.48Å; R109-H111 PolarHBondContact NH2-CE1 3.38Å; R109-H111 PolarHBondContact NH2-NE2 3.27Å; R109-H111 VanDerWaalsContact NH2-NE2 3.18Å |
| 112 | G | 46.2 | Very low | 52.9 | Low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -106.2 | 148 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 113 | P | 49.7 | Very low | 53.1 | Low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | -105.3 | 109.4 | -165.2 | 35.2 | -22.7 | 0 | 0 | 0 | 112.3 | | |
| 114 | F | 47.3 | Very low | 54.1 | Low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -143.5 | 69.4 | 164.5 | -68.8 | -71.9 | 0 | 0 | 0 | 110.3 | | |
| 115 | D | 46 | Very low | 55.1 | Low | 161 Ų | 161 | 138.4 Ų | 138.4 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -82.5 | 102.7 | 156 | -75.7 | -47.3 | 0 | 0 | 0 | 108 | | |
| 116 | L | 48.1 | Very low | 55.8 | Low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -126.4 | 117 | 159.7 | -89.3 | 162.6 | 0 | 0 | 0 | 108.2 | | |
| 117 | H | 49.9 | Very low | 56.2 | Low | 184 Ų | 184 | 140 Ų | 140 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | -56.7 | 162.7 | -172 | -105.9 | -111.4 | 0 | 0 | 0 | 115.3 | | |
| 118 | P | 48.7 | Very low | 56.1 | Low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -96.8 | 150.1 | -151.6 | 37.7 | -33.7 | 0 | 0 | 0 | 114 | | |
| 119 | G | 52.6 | Low | 56.2 | Low | 34 Ų | 34 | 137.2 Ų | 137.2 | 35% | 0.351 | 76% | 0.759 | S | S | . | * | | | trans | -134.5 | 141.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | H121 | G119-H121 VanDerWaalsContact C-N 3.25Å; G119-H121 PolarHBondContact O-CD2 3.01Å; G119-H121 PolarHBondContact O-N 3.34Å |
| 120 | P | 58 | Low | 56.1 | Low | 138 Ų | 138 | 133 Ų | 133 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | | | trans | -75.8 | 83.6 | 173 | 30.8 | -30.2 | 0 | 0 | 0 | 108.3 | M122 | P120-M122 PolarHBondContact O-N 2.88Š|
| 121 | H | 59.2 | Low | 56.2 | Low | 169 Ų | 169 | 133.7 Ų | 133.7 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | -79.6 | 100.6 | 173.3 | -50.8 | -66.2 | 0 | 0 | 0 | 107.9 | G119 | G119-H121 VanDerWaalsContact C-N 3.25Å; G119-H121 PolarHBondContact O-CD2 3.01Å; G119-H121 PolarHBondContact O-N 3.34Å |
| 122 | M | 69.9 | Low | 56.3 | Low | 177 Ų | 177 | 130.7 Ų | 130.7 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 128 | 173.1 | -151.4 | 158.4 | 176.9 | 0 | 0 | 109.4 | P120 | P120-M122 PolarHBondContact O-N 2.88Š|
| 123 | P | 75.3 | Confident | 56.9 | Low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.8 | 176.8 | 25.1 | -31.6 | 0 | 0 | 0 | 109.1 | | |
| 124 | P | 74.4 | Confident | 57.3 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.1 | 173.1 | 24.5 | -32.2 | 0 | 0 | 0 | 109.6 | | |
| 125 | P | 70.5 | Confident | 58.3 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 144.1 | 175.5 | 24.1 | -32.2 | 0 | 0 | 0 | 109.2 | R127 | P125-R127 PolarHBondContact O-N 3.32Š|
| 126 | P | 69.2 | Low | 59.4 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | | | trans | -58.8 | 112.6 | 178.5 | 23.6 | -30.5 | 0 | 0 | 0 | 107.6 | G128 | P126-G128 PolarHBondContact O-N 3.5Š|
| 127 | R | 56.8 | Low | 60.1 | Low | 221 Ų | 221 | 120.4 Ų | 120.4 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | | | trans | -54.3 | 108.2 | 171.5 | -98.1 | 179 | 158.6 | 148.7 | -5 | 106.4 | P125 H129 | P125-R127 PolarHBondContact O-N 3.32Å; R127-H129 PolarHBondContact O-N 3.23Å; R127-H129 PolarHBondContact O-ND1 2.96Å; R127-H129 VanDerWaalsContact O-ND1 3.16Å |
| 128 | G | 46.9 | Very low | 60.7 | Low | 69 Ų | 69 | 115.8 Ų | 115.8 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | | | trans | -57.9 | 101.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P126 S130 | P126-G128 PolarHBondContact O-N 3.5Å; G128-S130 PolarHBondContact O-N 3.38Å |
| 129 | H | 52.8 | Low | 61.6 | Low | 134 Ų | 134 | 114.6 Ų | 114.6 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | | | trans | -80.9 | 81.3 | 169.7 | -63.5 | -12.4 | 0 | 0 | 0 | 106.9 | R127 H131 | R127-H129 PolarHBondContact O-N 3.23Å; R127-H129 PolarHBondContact O-ND1 2.96Å; R127-H129 VanDerWaalsContact O-ND1 3.16Å; H129-H131 PolarHBondContact O-N 3.43Å |
| 130 | S | 48.7 | Very low | 62.2 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -69.4 | 75 | 155.8 | 46.3 | 0 | 0 | 0 | 0 | 107.3 | G128 | G128-S130 PolarHBondContact O-N 3.38Š|
| 131 | H | 57.2 | Low | 62.5 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | | | trans | -103.6 | 117.5 | 162 | -77.4 | 16.9 | 0 | 0 | 0 | 105 | H129 H133 | H129-H131 PolarHBondContact O-N 3.43Å; H131-H133 VanDerWaalsContact C-N 3.32Å; H131-H133 PolarHBondContact O-CD2 2.94Å; H131-H133 PolarHBondContact O-N 3.23Å |
| 132 | G | 54.7 | Low | 62.6 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 86% | 0.856 | 66% | 0.657 | S | S | * | * | | | trans | -50.5 | 101 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S134 | G132-S134 VanDerWaalsContact C-N 3.32Å; G132-S134 PolarHBondContact O-N 3.48Å |
| 133 | H | 59.6 | Low | 62 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 71% | 0.708 | 65% | 0.645 | S | S | * | * | | | trans | -77.5 | 93 | -179.9 | -75.5 | -69.8 | 0 | 0 | 0 | 106.4 | H131 | H131-H133 VanDerWaalsContact C-N 3.32Å; H131-H133 PolarHBondContact O-CD2 2.94Å; H131-H133 PolarHBondContact O-N 3.23Å |
| 134 | S | 58.5 | Low | 61.2 | Low | 64 Ų | 64 | 112.9 Ų | 112.9 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | | | trans | -45.1 | 128.2 | 155.3 | -96.8 | 0 | 0 | 0 | 0 | 108 | G132 S136 L154 | G132-S134 VanDerWaalsContact C-N 3.32Å; G132-S134 PolarHBondContact O-N 3.48Å; S134-S136 PolarHBondContact O-N 3.42Å; S134-L154 WeakPolarHBondContact CB-O 3.49Å; S134-L154 PolarHBondContact OG-O 3.15Å |
| 135 | P | 68.1 | Low | 60.5 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 60% | 0.597 | 66% | 0.655 | S | S | * | * | | | trans | -57.3 | 116.2 | 178.6 | 21.5 | -29.5 | 0 | 0 | 0 | 108.5 | L154 | P135-L154 HydrophobicContact CG-CB 4.38Å; P135-L154 PolarHBondContact O-N 3.28Å |
| 136 | S | 67.8 | Low | 59.7 | Low | 69 Ų | 69 | 118.4 Ų | 118.4 | 48% | 0.483 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.5 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | S134 L152 | S134-S136 PolarHBondContact O-N 3.42Å; S136-L152 VanDerWaalsContact CA-O 3.23Å; S136-L152 WeakPolarHBondContact CA-O 3.1Å; S136-L152 WeakPolarHBondContact CB-O 3.32Å |
| 137 | I | 63.2 | Low | 58.9 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 56% | 0.559 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.1 | 173.1 | -58 | 171 | 0 | 0 | 0 | 106.2 | L152 | I137-L152 PolarHBondContact N-O 3.12Å; I137-L152 PolarHBondContact O-N 3.5Å |
| 138 | S | 63.8 | Low | 59.4 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 134.6 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 109 | | |
| 139 | F | 66.8 | Low | 60.5 | Low | 93 Ų | 93 | 105.5 Ų | 105.5 | 41% | 0.408 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.4 | 168.7 | 54.9 | -86.2 | 0 | 0 | 0 | 108.6 | V141 G149 V150 L152 | F139-V141 HydrophobicContact CD2-CG2 3.56Å; F139-V141 HydrophobicContact CE2-CG2 3.82Å; F139-G149 WeakPolarHBondContact O-CA 3.36Å; F139-V150 HydrophobicContact CE1-CB 4.3Å; F139-V150 HydrophobicContact CE2-CB 4.03Å; F139-V150 HydrophobicContact CE2-CG2 4.44Å; F139-V150 HydrophobicContact CZ-CB 3.77Å; F139-V150 HydrophobicContact CZ-CG1 4.15Å; F139-V150 HydrophobicContact CZ-CG2 4.49Å; F139-V150 PolarHBondContact N-O 3.22Å; F139-V150 PolarHBondContact O-N 3.26Å; F139-V150 VanDerWaalsContact O-N 3.1Å; F139-L152 HydrophobicContact CE1-CD1 4.06Å |
| 140 | D | 65.6 | Low | 61.1 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 65% | 0.647 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.3 | 174.6 | -166.5 | -101.7 | 0 | 0 | 0 | 108.3 | | |
| 141 | V | 64.4 | Low | 61.8 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 100.3 | 172.9 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | F139 G147 G148 | F139-V141 HydrophobicContact CD2-CG2 3.56Å; F139-V141 HydrophobicContact CE2-CG2 3.82Å; V141-G147 WeakPolarHBondContact O-CA 3.23Å; V141-G148 PolarHBondContact N-O 2.89Å; V141-G148 PolarHBondContact O-N 2.95Å |
| 142 | G | 61.4 | Low | 62.1 | Low | 43 Ų | 43 | 99.6 Ų | 99.6 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | | | trans | -160.7 | 129.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 143 | S | 56.8 | Low | 62.8 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | | | trans | -80.1 | 155.7 | 151.9 | 64.9 | 0 | 0 | 0 | 0 | 108.3 | H145 F146 | S143-H145 PolarHBondContact O-N 3.45Å; S143-F146 PolarHBondContact O-N 2.92Å |
| 144 | R | 58.2 | Low | 62.7 | Low | 246 Ų | 246 | 105.5 Ų | 105.5 | 93% | 0.928 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.2 | -6.5 | -165.3 | -55.8 | 179 | -161.3 | -126.2 | 0.9 | 118.1 | | |
| 145 | H | 58.8 | Low | 62.9 | Low | 156 Ų | 156 | 107.6 Ų | 107.6 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -13.5 | -176.9 | -60.8 | -67.6 | 0 | 0 | 0 | 115.2 | S143 | S143-H145 PolarHBondContact O-N 3.45Š|
| 146 | F | 55.4 | Low | 62.7 | Low | 185 Ų | 185 | 108.4 Ų | 108.4 | 81% | 0.811 | 60% | 0.6 | S | S | * | * | | | trans | -147.7 | 41.6 | -171.6 | -67.8 | -80.9 | 0 | 0 | 0 | 113.9 | S143 G148 | S143-F146 PolarHBondContact O-N 2.92Å; F146-G148 PolarHBondContact O-N 3.25Å |
| 147 | G | 52.4 | Low | 62.4 | Low | 49 Ų | 49 | 110.6 Ų | 110.6 | 51% | 0.505 | 61% | 0.606 | S | S | . | * | | | trans | -74.2 | 120.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | V141 | V141-G147 WeakPolarHBondContact O-CA 3.23Š|
| 148 | G | 67 | Low | 62.3 | Low | 43 Ų | 43 | 110.6 Ų | 110.6 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V141 F146 | V141-G148 PolarHBondContact N-O 2.89Å; V141-G148 PolarHBondContact O-N 2.95Å; F146-G148 PolarHBondContact O-N 3.25Å |
| 149 | G | 69.8 | Low | 62.2 | Low | 54 Ų | 54 | 112.1 Ų | 112.1 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 141.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F139 | F139-G149 WeakPolarHBondContact O-CA 3.36Å |
| 150 | V | 65.2 | Low | 61.9 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 131.7 | 169.6 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | F139 | F139-V150 HydrophobicContact CE1-CB 4.3Å; F139-V150 HydrophobicContact CE2-CB 4.03Å; F139-V150 HydrophobicContact CE2-CG2 4.44Å; F139-V150 HydrophobicContact CZ-CB 3.77Å; F139-V150 HydrophobicContact CZ-CG1 4.15Å; F139-V150 HydrophobicContact CZ-CG2 4.49Å; F139-V150 PolarHBondContact N-O 3.22Å; F139-V150 PolarHBondContact O-N 3.26Å; F139-V150 VanDerWaalsContact O-N 3.1Å |
| 151 | T | 63.2 | Low | 61.7 | Low | 90 Ų | 90 | 112.9 Ų | 112.9 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.4 | 175 | -58.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 152 | L | 64.3 | Low | 61.5 | Low | 98 Ų | 98 | 114.3 Ų | 114.3 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.1 | 172.2 | -65.4 | 167.9 | 0 | 0 | 0 | 109 | S136 I137 F139 | S136-L152 VanDerWaalsContact CA-O 3.23Å; S136-L152 WeakPolarHBondContact CA-O 3.1Å; S136-L152 WeakPolarHBondContact CB-O 3.32Å; I137-L152 PolarHBondContact N-O 3.12Å; I137-L152 PolarHBondContact O-N 3.5Å; F139-L152 HydrophobicContact CE1-CD1 4.06Å |
| 153 | R | 68.1 | Low | 61.5 | Low | 207 Ų | 207 | 120.3 Ų | 120.3 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.6 | 173.8 | -69.9 | -179.2 | 138.3 | -160.9 | -5.8 | 108.6 | | |
| 154 | L | 58.8 | Low | 61.9 | Low | 152 Ų | 152 | 123.2 Ų | 123.2 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | | | trans | -94.4 | 0 | 176.4 | -80.1 | 80.9 | 0 | 0 | 0 | 112.3 | S134 P135 | S134-L154 WeakPolarHBondContact CB-O 3.49Å; S134-L154 PolarHBondContact OG-O 3.15Å; P135-L154 HydrophobicContact CG-CB 4.38Å; P135-L154 PolarHBondContact O-N 3.28Å |