| 1 | M | 51.7 | Low | 67.6 | Low | 207 Ų | 207 | 122.8 Ų | 122.8 | 100% | 1.02 | 62% | 0.616 | S | S | * | * | | | | 0 | 72.1 | 0 | -76 | 159.1 | 68.3 | 0 | 0 | 108.3 | T5 | M1-T5 PolarHBondContact O-OG1 3.35Š|
| 2 | N | 53.8 | Low | 68.2 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 60% | 0.604 | S | S | * | * | | | | -134.3 | 5.8 | -120.2 | -105.2 | 35.3 | 0 | 0 | 0 | 120 | | |
| 3 | A | 64.6 | Low | 68.3 | Low | 68 Ų | 68 | 119.7 Ų | 119.7 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -155.6 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T5 H6 F7 | A3-T5 VanDerWaalsContact C-N 3.32Å; A3-T5 PolarHBondContact O-N 3.19Å; A3-H6 PolarHBondContact O-N 2.86Å; A3-F7 PolarHBondContact O-N 2.8Å |
| 4 | I | 71.9 | Confident | 68.4 | Low | 127 Ų | 127 | 114.8 Ų | 114.8 | 65% | 0.651 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.3 | -45.2 | 177.6 | -62.6 | 171.4 | 0 | 0 | 0 | 110.4 | H6 F7 F8 | I4-H6 PolarHBondContact O-N 3.08Å; I4-F7 PolarHBondContact O-N 3.01Å; I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.59Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.2Å; I4-F8 PolarHBondContact O-N 3.49Å |
| 5 | T | 69.8 | Low | 68.3 | Low | 69 Ų | 69 | 114.3 Ų | 114.3 | 42% | 0.423 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.5 | -44.5 | 176.3 | 39.3 | 0 | 0 | 0 | 0 | 112.3 | M1 A3 F7 F8 W9 | M1-T5 PolarHBondContact O-OG1 3.35Å; A3-T5 VanDerWaalsContact C-N 3.32Å; A3-T5 PolarHBondContact O-N 3.19Å; T5-F7 PolarHBondContact O-N 3.19Å; T5-F8 PolarHBondContact O-N 3.46Å; T5-W9 PolarHBondContact O-N 2.89Å; T5-W9 VanDerWaalsContact O-N 3.12Å |
| 6 | H | 63.5 | Low | 67.8 | Low | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.2 | -43.4 | 176.7 | -70.5 | -72.6 | 0 | 0 | 0 | 112.1 | A3 I4 F8 W9 T10 | A3-H6 PolarHBondContact O-N 2.86Å; I4-H6 PolarHBondContact O-N 3.08Å; H6-F8 PolarHBondContact O-N 3.4Å; H6-W9 PolarHBondContact O-N 3.08Å; H6-T10 PolarHBondContact O-N 2.77Å; H6-T10 PolarHBondContact O-OG1 2.9Å |
| 7 | F | 73.2 | Confident | 67.5 | Low | 130 Ų | 130 | 112 Ų | 112 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 178.6 | -172.2 | -106.6 | 0 | 0 | 0 | 112.2 | A3 I4 T5 W9 T10 I11 | A3-F7 PolarHBondContact O-N 2.8Å; I4-F7 PolarHBondContact O-N 3.01Å; T5-F7 PolarHBondContact O-N 3.19Å; F7-W9 PolarHBondContact O-N 2.94Å; F7-T10 VanDerWaalsContact CA-OG1 3.32Å; F7-T10 WeakPolarHBondContact CA-OG1 3.3Å; F7-T10 PolarHBondContact O-N 3.04Å; F7-T10 PolarHBondContact O-OG1 2.81Å; F7-I11 HydrophobicContact CD1-CD1 3.69Å; F7-I11 HydrophobicContact CE1-CD1 3.18Å; F7-I11 HydrophobicContact CE1-CG1 4.34Å; F7-I11 HydrophobicContact CE2-CD1 4.15Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 3.46Å; F7-I11 VanDerWaalsContact CZ-CD1 3.46Å; F7-I11 HydrophobicContact CZ-CG1 4.38Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.36Å |
| 8 | F | 72.4 | Confident | 66.9 | Low | 141 Ų | 141 | 113.9 Ų | 113.9 | 62% | 0.618 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -42.6 | 176.4 | -86 | -71.6 | 0 | 0 | 0 | 112.5 | I4 T5 H6 I11 L12 | I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.59Å; I4-F8 VanDerWaalsContact O-CD2 3.23Å; I4-F8 WeakPolarHBondContact O-CD2 3.2Å; I4-F8 PolarHBondContact O-N 3.49Å; T5-F8 PolarHBondContact O-N 3.46Å; H6-F8 PolarHBondContact O-N 3.4Å; F8-I11 PolarHBondContact O-N 3.39Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 3.23Å |
| 9 | W | 71.8 | Confident | 66.1 | Low | 183 Ų | 183 | 115.6 Ų | 115.6 | 69% | 0.693 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | 176.9 | -78.5 | 112 | 0 | 0 | 0 | 112.6 | T5 H6 F7 L12 L13 | T5-W9 PolarHBondContact O-N 2.89Å; T5-W9 VanDerWaalsContact O-N 3.12Å; H6-W9 PolarHBondContact O-N 3.08Å; F7-W9 PolarHBondContact O-N 2.94Å; W9-L12 HydrophobicContact CE3-CD2 4.2Å; W9-L12 HydrophobicContact CZ3-CD2 4.11Å; W9-L12 PolarHBondContact O-N 2.72Å; W9-L13 WeakPolarHBondContact O-CB 3.35Å; W9-L13 PolarHBondContact O-N 2.99Å |
| 10 | T | 72.9 | Confident | 65.1 | Low | 84 Ų | 84 | 113.9 Ų | 113.9 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.7 | -39.1 | 176.5 | 35.2 | 0 | 0 | 0 | 0 | 113.3 | H6 F7 A14 | H6-T10 PolarHBondContact O-N 2.77Å; H6-T10 PolarHBondContact O-OG1 2.9Å; F7-T10 VanDerWaalsContact CA-OG1 3.32Å; F7-T10 WeakPolarHBondContact CA-OG1 3.3Å; F7-T10 PolarHBondContact O-N 3.04Å; F7-T10 PolarHBondContact O-OG1 2.81Å; T10-A14 WeakPolarHBondContact O-CB 3.32Å; T10-A14 PolarHBondContact O-N 3.45Å |
| 11 | I | 78.3 | Confident | 64.1 | Low | 72 Ų | 72 | 115.9 Ų | 115.9 | 37% | 0.369 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.3 | -42.4 | 175.9 | -71.7 | 176.7 | 0 | 0 | 0 | 110.6 | F7 F8 L13 A14 L15 | F7-I11 HydrophobicContact CD1-CD1 3.69Å; F7-I11 HydrophobicContact CE1-CD1 3.18Å; F7-I11 HydrophobicContact CE1-CG1 4.34Å; F7-I11 HydrophobicContact CE2-CD1 4.15Å; F7-I11 HydrophobicContact CG-CD1 4.38Å; F7-I11 HydrophobicContact CZ-CD1 3.46Å; F7-I11 VanDerWaalsContact CZ-CD1 3.46Å; F7-I11 HydrophobicContact CZ-CG1 4.38Å; F7-I11 WeakPolarHBondContact O-CG1 3.33Å; F7-I11 PolarHBondContact O-N 3.36Å; F8-I11 PolarHBondContact O-N 3.39Å; I11-L13 PolarHBondContact O-N 3.22Å; I11-A14 PolarHBondContact O-N 3.46Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.37Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.05Å |
| 12 | L | 74.2 | Confident | 63.8 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 48% | 0.476 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.7 | -45.4 | 177.8 | -171.8 | 67 | 0 | 0 | 0 | 111 | F8 W9 A14 L15 C16 | F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 3.23Å; W9-L12 HydrophobicContact CE3-CD2 4.2Å; W9-L12 HydrophobicContact CZ3-CD2 4.11Å; W9-L12 PolarHBondContact O-N 2.72Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-C16 WeakPolarHBondContact O-CB 3.49Å; L12-C16 PolarHBondContact O-N 3.27Å; L12-C16 PolarHBondContact O-SG 3.03Å |
| 13 | L | 70.2 | Confident | 63.5 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 60% | 0.597 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.8 | -41.5 | 176.8 | -164.1 | 77.6 | 0 | 0 | 0 | 111.9 | W9 I11 C16 L17 | W9-L13 WeakPolarHBondContact O-CB 3.35Å; W9-L13 PolarHBondContact O-N 2.99Å; I11-L13 PolarHBondContact O-N 3.22Å; L13-C16 PolarHBondContact O-N 3.38Å; L13-L17 HydrophobicContact CG-CD1 4.5Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.05Å; L13-L17 VanDerWaalsContact O-N 3.08Å |
| 14 | A | 69.8 | Low | 62.5 | Low | 51 Ų | 51 | 108.4 Ų | 108.4 | 42% | 0.421 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.6 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T10 I11 L12 L17 N18 | T10-A14 WeakPolarHBondContact O-CB 3.32Å; T10-A14 PolarHBondContact O-N 3.45Å; I11-A14 PolarHBondContact O-N 3.46Å; L12-A14 VanDerWaalsContact C-N 3.35Å; L12-A14 PolarHBondContact O-N 3.01Å; A14-L17 PolarHBondContact O-N 2.79Å; A14-N18 PolarHBondContact O-N 3.28Å; A14-N18 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 65.7 | Low | 61.4 | Low | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.2 | -35.5 | 174.8 | -72.9 | 169.3 | 0 | 0 | 0 | 112.1 | I11 L12 L17 K19 | I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.37Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.05Å; L12-L15 PolarHBondContact O-N 3.24Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.28Å; L15-K19 PolarHBondContact O-N 3.02Å |
| 16 | C | 61.1 | Low | 60.3 | Low | 62 Ų | 62 | 111 Ų | 111 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.5 | -24.4 | 174.3 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | L12 L13 | L12-C16 WeakPolarHBondContact O-CB 3.49Å; L12-C16 PolarHBondContact O-N 3.27Å; L12-C16 PolarHBondContact O-SG 3.03Å; L13-C16 PolarHBondContact O-N 3.38Å |
| 17 | L | 63.1 | Low | 59.3 | Low | 128 Ų | 128 | 112 Ų | 112 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86.7 | -31.9 | 175.6 | -69.8 | 168.7 | 0 | 0 | 0 | 112.7 | L13 A14 L15 | L13-L17 HydrophobicContact CG-CD1 4.5Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.05Å; L13-L17 VanDerWaalsContact O-N 3.08Å; A14-L17 PolarHBondContact O-N 2.79Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 3.28Å |
| 18 | N | 56 | Low | 57.9 | Low | 147 Ų | 147 | 113.7 Ų | 113.7 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -76.1 | -27.1 | 179.8 | -105.6 | -31.1 | 0 | 0 | 0 | 113.4 | A14 G20 | A14-N18 PolarHBondContact O-N 3.28Å; A14-N18 VanDerWaalsContact O-N 3.08Å; N18-G20 PolarHBondContact O-N 2.88Å |
| 19 | K | 51.8 | Low | 56.5 | Low | 146 Ų | 146 | 114.2 Ų | 114.2 | 64% | 0.635 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -84.2 | 108.4 | 160.9 | -65.2 | -170.5 | 178.3 | -174.2 | 0 | 105.9 | L15 E21 | L15-K19 PolarHBondContact O-N 3.02Å; K19-E21 PolarHBondContact O-N 2.82Å |
| 20 | G | 46.1 | Very low | 55 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 84% | 0.835 | 62% | 0.615 | S | S | * | * | | | trans | -63.2 | 31.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N18 A22 | N18-G20 PolarHBondContact O-N 2.88Å; G20-A22 PolarHBondContact O-N 3.16Å; G20-A22 VanDerWaalsContact O-N 3.14Å |
| 21 | E | 43.8 | Very low | 53.4 | Low | 156 Ų | 156 | 114.8 Ų | 114.8 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | | | trans | -77.3 | 95.8 | 169.7 | -72.9 | -175.5 | 162.3 | 0 | 0 | 107.2 | K19 L23 | K19-E21 PolarHBondContact O-N 2.82Å; E21-L23 PolarHBondContact O-N 2.96Å |
| 22 | A | 46.5 | Very low | 51.9 | Low | 76 Ų | 76 | 116.1 Ų | 116.1 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | | | trans | -43.2 | 108.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G20 | G20-A22 PolarHBondContact O-N 3.16Å; G20-A22 VanDerWaalsContact O-N 3.14Å |
| 23 | L | 46.5 | Very low | 50.3 | Low | 101 Ų | 101 | 117.6 Ų | 117.6 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | | | trans | -43.2 | 128.8 | 168.5 | -83 | 152.7 | 0 | 0 | 0 | 108.5 | E21 A25 | E21-L23 PolarHBondContact O-N 2.96Å; L23-A25 PolarHBondContact O-N 2.91Å |
| 24 | P | 43.1 | Very low | 48.7 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 56% | 0.558 | 67% | 0.668 | S | S | * | * | | | trans | -54.4 | 135.2 | -178.8 | 21.6 | -30.5 | 0 | 0 | 0 | 107.9 | E26 H27 | P24-E26 PolarHBondContact O-N 2.68Å; P24-H27 PolarHBondContact O-N 3.04Å |
| 25 | A | 49.3 | Very low | 47.1 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -57.2 | -5.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L23 | L23-A25 PolarHBondContact O-N 2.91Š|
| 26 | E | 46.1 | Very low | 45.7 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -78.8 | -13.6 | -178.6 | -56.4 | -173.8 | -178.9 | 0 | 0 | 113.7 | P24 | P24-E26 PolarHBondContact O-N 2.68Š|
| 27 | H | 42.6 | Very low | 44.7 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 68% | 0.676 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -117.9 | 13.3 | 178.3 | -67.6 | -65.1 | 0 | 0 | 0 | 115.2 | P24 F29 | P24-H27 PolarHBondContact O-N 3.04Å; H27-F29 PolarHBondContact O-N 3.03Å |
| 28 | R | 44.5 | Very low | 43.7 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | | | trans | -78.2 | 5.2 | 179.3 | -70.9 | -173.9 | -176.3 | -175.8 | -0.9 | 115 | | |
| 29 | F | 42.1 | Very low | 42.9 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -115.7 | 129.3 | 172.1 | -67.2 | -85.2 | 0 | 0 | 0 | 107.3 | H27 F84 | H27-F29 PolarHBondContact O-N 3.03Å; F29-F84 HydrophobicContact CE1-CE1 4.1Å |
| 30 | V | 41.6 | Very low | 42.5 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 95.9 | 77.3 | -176.7 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 31 | L | 39 | Very low | 42 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | | -167.1 | 108 | 99.6 | -142.4 | 82.5 | 0 | 0 | 0 | 110.1 | | |
| 32 | P | 46.5 | Very low | 41.8 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | | | trans | -81.5 | 167.5 | 167.6 | 34 | -29 | 0 | 0 | 0 | 110.1 | | |
| 33 | T | 40.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | trans | 66.7 | 101.5 | 165.5 | 24.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 34 | F | 38.2 | Very low | 41 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -172.7 | 7.4 | 140.4 | -88.7 | -58.5 | 0 | 0 | 0 | 114.2 | | |
| 35 | L | 35.7 | Very low | 40.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -135 | 76.1 | 172.1 | -75.6 | 169.6 | 0 | 0 | 0 | 110.9 | | |
| 36 | G | 36.2 | Very low | 39.7 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | | | trans | 63.4 | 163 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 37 | P | 39.1 | Very low | 39.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | | | trans | -67.3 | 131.8 | 165.6 | 29.4 | -27.9 | 0 | 0 | 0 | 107 | S39 | P37-S39 PolarHBondContact O-N 3.29Š|
| 38 | P | 44 | Very low | 39 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | trans | -55.8 | 121.5 | 152.6 | 26.7 | -29 | 0 | 0 | 0 | 103.7 | L40 | P38-L40 PolarHBondContact O-N 2.99Š|
| 39 | S | 37.1 | Very low | 38.6 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | | | trans | -40.6 | 109.3 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 108.2 | P37 E41 | P37-S39 PolarHBondContact O-N 3.29Å; S39-E41 PolarHBondContact O-N 2.7Å |
| 40 | L | 43.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | | | trans | -67.8 | 61.8 | 152.2 | -72.5 | 164.5 | 0 | 0 | 0 | 105 | P38 P42 | P38-L40 PolarHBondContact O-N 2.99Å; L40-P42 VanDerWaalsContact C-N 3.34Å; L40-P42 WeakPolarHBondContact O-CD 3.49Å |
| 41 | E | 36.1 | Very low | 38.1 | Very low | 152 Ų | 152 | 137.2 Ų | 137.2 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | | | trans | -66.7 | 112.5 | 138.6 | -83.4 | -173.4 | 158.4 | 0 | 0 | 102.5 | S39 M43 | S39-E41 PolarHBondContact O-N 2.7Å; E41-M43 PolarHBondContact O-N 3.49Å |
| 42 | P | 40.4 | Very low | 38 | Very low | 93 Ų | 93 | 137 Ų | 137 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | | | trans | -55 | 112.3 | 152.7 | -3.8 | 21.4 | 0 | 0 | 0 | 103 | L40 F44 | L40-P42 VanDerWaalsContact C-N 3.34Å; L40-P42 WeakPolarHBondContact O-CD 3.49Å; P42-F44 HydrophobicContact CB-CB 4.46Å; P42-F44 HydrophobicContact CB-CD2 3.66Å; P42-F44 HydrophobicContact CB-CE2 4.46Å; P42-F44 PolarHBondContact O-N 3.14Å |
| 43 | M | 36.7 | Very low | 37.4 | Very low | 178 Ų | 178 | 141 Ų | 141 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -71 | 50.6 | 166.1 | -138.5 | 175.1 | 84.4 | 0 | 0 | 108.1 | E41 S45 | E41-M43 PolarHBondContact O-N 3.49Å; M43-S45 VanDerWaalsContact C-N 3.29Å |
| 44 | F | 39.2 | Very low | 37.2 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | | | trans | -94.5 | 71.2 | 151.5 | -67.1 | -70.7 | 0 | 0 | 0 | 105.1 | P42 F46 | P42-F44 HydrophobicContact CB-CB 4.46Å; P42-F44 HydrophobicContact CB-CD2 3.66Å; P42-F44 HydrophobicContact CB-CE2 4.46Å; P42-F44 PolarHBondContact O-N 3.14Å; F44-F46 HydrophobicContact CB-CD2 4.19Å; F44-F46 HydrophobicContact CB-CE2 4.08Å; F44-F46 PolarHBondContact O-N 3.3Å |
| 45 | S | 30.2 | Very low | 36.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -65.7 | 93.4 | 148.7 | 57.6 | 0 | 0 | 0 | 0 | 105.2 | M43 D47 | M43-S45 VanDerWaalsContact C-N 3.29Å; S45-D47 PolarHBondContact O-N 3Å |
| 46 | F | 35.4 | Very low | 36.8 | Very low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.772 | 74% | 0.738 | S | S | * | * | | | trans | -63.1 | 92.8 | 151.6 | -76.3 | -82.2 | 0 | 0 | 0 | 104.5 | F44 K48 | F44-F46 HydrophobicContact CB-CD2 4.19Å; F44-F46 HydrophobicContact CB-CE2 4.08Å; F44-F46 PolarHBondContact O-N 3.3Å; F46-K48 PolarHBondContact O-N 3.45Å; F46-K48 VanDerWaalsContact O-N 3.08Å |
| 47 | D | 32.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | -52.1 | 121.1 | 162.6 | -150.5 | -1.2 | 0 | 0 | 0 | 104.9 | S45 T49 | S45-D47 PolarHBondContact O-N 3Å; D47-T49 VanDerWaalsContact CG-OG1 3.31Å; D47-T49 PolarHBondContact O-N 2.93Å; D47-T49 PolarHBondContact OD1-OG1 3.29Å; D47-T49 PolarHBondContact OD2-OG1 3.08Å |
| 48 | K | 40.1 | Very low | 36.1 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -71.1 | 18.2 | -177.2 | -75.7 | -178.2 | 176.8 | 176 | 0 | 111.8 | F46 | F46-K48 PolarHBondContact O-N 3.45Å; F46-K48 VanDerWaalsContact O-N 3.08Å |
| 49 | T | 36.8 | Very low | 35.4 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 54% | 0.54 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -129.7 | 80.1 | 177.4 | 43.8 | 0 | 0 | 0 | 0 | 106.6 | D47 | D47-T49 VanDerWaalsContact CG-OG1 3.31Å; D47-T49 PolarHBondContact O-N 2.93Å; D47-T49 PolarHBondContact OD1-OG1 3.29Å; D47-T49 PolarHBondContact OD2-OG1 3.08Å |
| 50 | D | 35.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | 163.3 | 85.6 | 140.5 | -80.2 | -13.5 | 0 | 0 | 0 | 108.3 | H52 | D50-H52 PolarHBondContact O-N 3.37Å; D50-H52 IonicContact OD1-NE2 3.95Å; D50-H52 IonicContact OD2-CD2 3.96Å |
| 51 | H | 37.3 | Very low | 34.8 | Very low | 181 Ų | 181 | 140 Ų | 140 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | | | trans | -66.6 | 62.1 | 158.2 | -67.2 | -69.6 | 0 | 0 | 0 | 109.7 | | |
| 52 | H | 37.6 | Very low | 34.8 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | | | trans | -97.6 | 95 | 162.1 | -65.6 | -50.2 | 0 | 0 | 0 | 107 | D50 V54 | D50-H52 PolarHBondContact O-N 3.37Å; D50-H52 IonicContact OD1-NE2 3.95Å; D50-H52 IonicContact OD2-CD2 3.96Å; H52-V54 PolarHBondContact O-N 3.08Å |
| 53 | M | 33.7 | Very low | 34.3 | Very low | 184 Ų | 184 | 141 Ų | 141 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | | | trans | -44.3 | 108.7 | 172.6 | -60.8 | 177.4 | -166.3 | 0 | 0 | 110.5 | S55 | M53-S55 PolarHBondContact O-N 3.5Š|
| 54 | V | 35.6 | Very low | 34.1 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 73% | 0.729 | S | S | * | * | | | trans | -86.8 | 76.1 | 158.1 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | H52 M56 | H52-V54 PolarHBondContact O-N 3.08Å; V54-M56 HydrophobicContact CG1-CG 4.13Å; V54-M56 PolarHBondContact O-N 3.34Å |
| 55 | S | 28.9 | Very low | 33.8 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | trans | -68.7 | 98.4 | 157.1 | 161.7 | 0 | 0 | 0 | 0 | 107.2 | M53 S57 | M53-S55 PolarHBondContact O-N 3.5Å; S55-S57 PolarHBondContact O-N 3.27Å |
| 56 | M | 36.4 | Very low | 34 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | | | trans | -92.4 | 88.6 | 155.2 | -79.9 | -154.1 | -86.4 | 0 | 0 | 108.5 | V54 | V54-M56 HydrophobicContact CG1-CG 4.13Å; V54-M56 PolarHBondContact O-N 3.34Å |
| 57 | S | 31.2 | Very low | 34 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | | | trans | -49.7 | 132.4 | 163.5 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | S55 N59 | S55-S57 PolarHBondContact O-N 3.27Å; S57-N59 PolarHBondContact O-N 2.93Å |
| 58 | S | 30.7 | Very low | 34.2 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 19.5 | 95.8 | 139.2 | 57.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 59 | N | 28.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | 169.9 | 71 | 137.9 | -89.4 | -11.9 | 0 | 0 | 0 | 109.4 | S57 N61 | S57-N59 PolarHBondContact O-N 2.93Å; N59-N61 PolarHBondContact O-N 2.92Å; N59-N61 VanDerWaalsContact O-N 3.08Å |
| 60 | M | 35.1 | Very low | 34.8 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | trans | -77.8 | 81.2 | 153 | -69.9 | -164.7 | -62.5 | 0 | 0 | 107.2 | F62 | M60-F62 VanDerWaalsContact C-N 3.34Å; M60-F62 PolarHBondContact O-N 3.23Å |
| 61 | N | 31.7 | Very low | 35.1 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | -61 | 105.6 | 157.8 | -90.1 | -16.9 | 0 | 0 | 0 | 106.3 | N59 A63 | N59-N61 PolarHBondContact O-N 2.92Å; N59-N61 VanDerWaalsContact O-N 3.08Å; N61-A63 PolarHBondContact O-N 2.69Å |
| 62 | F | 36.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | | | trans | -64.9 | 72.7 | 167.2 | -110.2 | -92.9 | 0 | 0 | 0 | 108.2 | M60 G64 I70 | M60-F62 VanDerWaalsContact C-N 3.34Å; M60-F62 PolarHBondContact O-N 3.23Å; F62-G64 VanDerWaalsContact C-N 3.29Å; F62-G64 PolarHBondContact O-N 3.23Å; F62-I70 HydrophobicContact CE1-CD1 4.32Å |
| 63 | A | 30.2 | Very low | 35.7 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | | | trans | -77.4 | 86.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | N61 | N61-A63 PolarHBondContact O-N 2.69Š|
| 64 | G | 33.3 | Very low | 36.1 | Very low | 47 Ų | 47 | 118.2 Ų | 118.2 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | | | trans | 168.2 | 61.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F62 G66 | F62-G64 VanDerWaalsContact C-N 3.29Å; F62-G64 PolarHBondContact O-N 3.23Å; G64-G66 VanDerWaalsContact C-N 3.31Å; G64-G66 PolarHBondContact O-N 2.75Å |
| 65 | V | 32.9 | Very low | 36.6 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 97% | 0.97 | 68% | 0.675 | S | S | * | * | | | trans | -66.2 | 96.1 | 160.3 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 66 | G | 33.4 | Very low | 37.4 | Very low | 53 Ų | 53 | 119.9 Ų | 119.9 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 166.2 | 84.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | G64 E68 | G64-G66 VanDerWaalsContact C-N 3.31Å; G64-G66 PolarHBondContact O-N 2.75Å; G66-E68 PolarHBondContact O-N 3.32Å |
| 67 | R | 36.4 | Very low | 37.6 | Very low | 260 Ų | 260 | 119.4 Ų | 119.4 | 98% | 0.981 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 37.6 | 19.1 | 140.1 | -74.7 | -172.7 | 168.8 | 179.8 | -2.8 | 122.3 | | |
| 68 | E | 36.3 | Very low | 38.4 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -133.7 | 127.9 | 172.6 | -72.3 | -174 | 167.2 | 0 | 0 | 110.7 | G66 I70 | G66-E68 PolarHBondContact O-N 3.32Å; E68-I70 PolarHBondContact O-N 2.84Å |
| 69 | P | 43.7 | Very low | 39.2 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 67% | 0.67 | S | S | * | * | | | trans | -62.3 | 110.7 | 176.6 | 24.8 | -30.8 | 0 | 0 | 0 | 108.3 | N71 | P69-N71 PolarHBondContact O-N 2.92Š|
| 70 | I | 45.1 | Very low | 40 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 61% | 0.61 | 65% | 0.654 | S | S | * | * | | | trans | -52.1 | 110.6 | 177.3 | -67.7 | 170.1 | 0 | 0 | 0 | 107.4 | F62 E68 V72 | F62-I70 HydrophobicContact CE1-CD1 4.32Å; E68-I70 PolarHBondContact O-N 2.84Å; I70-V72 VanDerWaalsContact C-N 3.3Å; I70-V72 PolarHBondContact O-N 2.98Å |
| 71 | N | 43.2 | Very low | 40.8 | Very low | 61 Ų | 61 | 123.8 Ų | 123.8 | 33% | 0.326 | 65% | 0.647 | S | S | . | * | | | trans | -69.7 | 83.8 | -170.6 | -163.4 | -2.3 | 0 | 0 | 0 | 108.9 | P69 A73 T74 Y87 | P69-N71 PolarHBondContact O-N 2.92Å; N71-A73 PolarHBondContact O-N 3.44Å; N71-A73 WeakPolarHBondContact OD1-CB 3.35Å; N71-T74 HydrophobicContact CB-CG2 4.2Å; N71-T74 PolarHBondContact O-N 3.02Å; N71-T74 PolarHBondContact O-OG1 3.5Å; N71-Y87 VanDerWaalsContact OD1-CE1 3.24Å; N71-Y87 WeakPolarHBondContact OD1-CE1 3.39Å |
| 72 | V | 46.4 | Very low | 41.5 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -24.6 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | I70 T74 K75 I76 | I70-V72 VanDerWaalsContact C-N 3.3Å; I70-V72 PolarHBondContact O-N 2.98Å; V72-T74 PolarHBondContact O-N 3.35Å; V72-K75 PolarHBondContact O-N 2.95Å; V72-I76 HydrophobicContact CG1-CD1 4.47Å |
| 73 | A | 40.8 | Very low | 42.1 | Very low | 11 Ų | 11 | 116.4 Ų | 116.4 | 9% | 0.091 | 62% | 0.618 | C | S | . | * | H | α-helix | trans | -60.2 | -27.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N71 I76 R77 | N71-A73 PolarHBondContact O-N 3.44Å; N71-A73 WeakPolarHBondContact OD1-CB 3.35Å; A73-I76 PolarHBondContact O-N 3.47Å; A73-R77 PolarHBondContact O-N 3.27Å; A73-R77 VanDerWaalsContact O-N 3.16Å |
| 74 | T | 42.5 | Very low | 42.9 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.5 | -29 | -178.2 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | N71 V72 | N71-T74 HydrophobicContact CB-CG2 4.2Å; N71-T74 PolarHBondContact O-N 3.02Å; N71-T74 PolarHBondContact O-OG1 3.5Å; V72-T74 PolarHBondContact O-N 3.35Å |
| 75 | K | 45.7 | Very low | 43.5 | Very low | 174 Ų | 174 | 118.1 Ų | 118.1 | 76% | 0.757 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.3 | -34.2 | 173.3 | -97.8 | -174.6 | 176.8 | -179 | 0 | 112.1 | V72 | V72-K75 PolarHBondContact O-N 2.95Å |
| 76 | I | 46.2 | Very low | 44 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 43% | 0.431 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.6 | -39.1 | -177.7 | -58.9 | 173.1 | 0 | 0 | 0 | 110.8 | V72 A73 R78 H79 N80 A83 | V72-I76 HydrophobicContact CG1-CD1 4.47Å; A73-I76 PolarHBondContact O-N 3.47Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 3.03Å; I76-H79 PolarHBondContact O-N 3.2Å; I76-N80 PolarHBondContact O-N 3Å; I76-A83 HydrophobicContact CG2-CB 3.47Å; I76-A83 VanDerWaalsContact CG2-CB 3.47Å |
| 77 | R | 40.6 | Very low | 44.5 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 62% | 0.619 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -23.6 | 177.8 | -92.9 | -172.1 | 172.4 | -171.6 | -1.1 | 115.4 | A73 H79 N80 | A73-R77 PolarHBondContact O-N 3.27Å; A73-R77 VanDerWaalsContact O-N 3.16Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 3.49Å; R77-N80 CarbonylContact O-C 3.58Å |
| 78 | R | 47.4 | Very low | 45 | Very low | 223 Ų | 223 | 120.1 Ų | 120.1 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69 | -27 | 177.8 | -80.7 | -172.7 | 179.3 | -173.2 | 0.6 | 113.2 | I76 | I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 3.03Å |
| 79 | H | 48.4 | Very low | 45.3 | Very low | 180 Ų | 180 | 117.5 Ų | 117.5 | 83% | 0.833 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -103 | -19.4 | 179.7 | -75.2 | -71.1 | 0 | 0 | 0 | 113.6 | I76 R77 | I76-H79 PolarHBondContact O-N 3.2Å; R77-H79 VanDerWaalsContact C-N 3.29Å; R77-H79 PolarHBondContact O-N 3.49Å |
| 80 | N | 44.2 | Very low | 45.3 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | | | trans | -143.4 | 105 | 174.4 | -174.4 | -11.1 | 0 | 0 | 0 | 109.9 | I76 R77 N82 A83 | I76-N80 PolarHBondContact O-N 3Å; R77-N80 CarbonylContact O-C 3.58Å; N80-N82 PolarHBondContact O-N 3.2Å; N80-N82 PolarHBondContact OD1-N 3.41Å; N80-A83 HydrophobicContact CB-CB 3.91Å; N80-A83 WeakPolarHBondContact O-CB 3.44Å; N80-A83 PolarHBondContact O-N 3.12Å |
| 81 | P | 52.3 | Low | 45 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -23.1 | 179.7 | -24.4 | 33.6 | 0 | 0 | 0 | 113.8 | | |
| 82 | N | 46.1 | Very low | 45.2 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 4 | -178 | -64.6 | -28.1 | 0 | 0 | 0 | 113.5 | N80 F84 | N80-N82 PolarHBondContact O-N 3.2Å; N80-N82 PolarHBondContact OD1-N 3.41Å; N82-F84 PolarHBondContact O-N 3.25Å |
| 83 | A | 48.6 | Very low | 44.6 | Very low | 18 Ų | 18 | 130.5 Ų | 130.5 | 15% | 0.149 | 64% | 0.642 | C | S | . | * | | | trans | -74.2 | 118.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I76 N80 G85 | I76-A83 HydrophobicContact CG2-CB 3.47Å; I76-A83 VanDerWaalsContact CG2-CB 3.47Å; N80-A83 HydrophobicContact CB-CB 3.91Å; N80-A83 WeakPolarHBondContact O-CB 3.44Å; N80-A83 PolarHBondContact O-N 3.12Å; A83-G85 PolarHBondContact O-N 3.49Å |
| 84 | F | 47.9 | Very low | 44.8 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | | | trans | -71 | 110.6 | 167.1 | -71.5 | -88.2 | 0 | 0 | 0 | 108.3 | F29 N82 | F29-F84 HydrophobicContact CE1-CE1 4.1Å; N82-F84 PolarHBondContact O-N 3.25Å |
| 85 | G | 45.6 | Very low | 44.9 | Very low | 24 Ų | 24 | 139.4 Ų | 139.4 | 25% | 0.247 | 68% | 0.678 | C | S | . | * | | | trans | -75.7 | 125 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A83 | A83-G85 PolarHBondContact O-N 3.49Š|
| 86 | F | 44.2 | Very low | 44.9 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 67% | 0.674 | S | S | * | * | | | trans | -80.7 | 125.8 | 166.4 | -63.4 | -83.5 | 0 | 0 | 0 | 108.5 | L88 | F86-L88 PolarHBondContact O-N 3.45Š|
| 87 | Y | 42.4 | Very low | 44.8 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | | | trans | -76.3 | 104.3 | 165.2 | -68.2 | -88.5 | 0 | 0 | 0 | 107.1 | N71 S89 | N71-Y87 VanDerWaalsContact OD1-CE1 3.24Å; N71-Y87 WeakPolarHBondContact OD1-CE1 3.39Å; Y87-S89 PolarHBondContact O-N 3.07Å |
| 88 | L | 47.2 | Very low | 45.1 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | | | trans | -73.2 | 87.9 | 164.6 | -70.5 | 168.4 | 0 | 0 | 0 | 107 | F86 R90 | F86-L88 PolarHBondContact O-N 3.45Å; L88-R90 PolarHBondContact O-N 3.42Å |
| 89 | S | 43.8 | Very low | 44.9 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | | | trans | -70 | 113.1 | 162.2 | 55.2 | 0 | 0 | 0 | 0 | 107 | Y87 D91 | Y87-S89 PolarHBondContact O-N 3.07Å; S89-D91 PolarHBondContact O-N 3.45Å |
| 90 | R | 42.1 | Very low | 44.7 | Very low | 238 Ų | 238 | 130.2 Ų | 130.2 | 90% | 0.898 | 67% | 0.671 | S | S | * | * | | | trans | -66.1 | 119.4 | 166.8 | -158.9 | 176.9 | -168.8 | 174.2 | 2.3 | 106.3 | L88 P92 | L88-R90 PolarHBondContact O-N 3.42Å; R90-P92 VanDerWaalsContact O-CD 3.3Å; R90-P92 WeakPolarHBondContact O-CD 3.23Å |
| 91 | D | 38.8 | Very low | 44.7 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | | | trans | -55.2 | 123.6 | 170.9 | -156.8 | -18.4 | 0 | 0 | 0 | 107.8 | S89 N93 | S89-D91 PolarHBondContact O-N 3.45Å; D91-N93 PolarHBondContact OD1-N 3.19Å |
| 92 | P | 47.5 | Very low | 44.1 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | | | trans | -76.5 | -6.4 | 170.3 | 29.9 | -31.4 | 0 | 0 | 0 | 112.5 | R90 | R90-P92 VanDerWaalsContact O-CD 3.3Å; R90-P92 WeakPolarHBondContact O-CD 3.23Å |
| 93 | N | 34.7 | Very low | 43.9 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 100% | 1.048 | 69% | 0.687 | S | S | * | * | | | trans | -120.3 | 0 | 179.6 | -71.3 | -35.3 | 0 | 0 | 0 | 113.5 | D91 | D91-N93 PolarHBondContact OD1-N 3.19Š|