| 1 | M | 38.2 | Very low | 39.1 | Very low | 236 Ų | 236 | 152.5 Ų | 152.5 | 100% | 1.163 | 82% | 0.82 | S | S | * | * | | | | 0 | 93.8 | 0 | -165.7 | 164.4 | 163.1 | 0 | 0 | 106.5 | S3 | M1-S3 PolarHBondContact O-N 2.79Š|
| 2 | L | 35 | Very low | 39 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -81.3 | 106 | -178.9 | -96.9 | 98.7 | 0 | 0 | 0 | 108.8 | I4 | L2-I4 PolarHBondContact O-N 2.99Š|
| 3 | S | 32.2 | Very low | 39.4 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -72.4 | 106.9 | 162.6 | -77.1 | 0 | 0 | 0 | 0 | 108.2 | M1 H5 | M1-S3 PolarHBondContact O-N 2.79Å; S3-H5 PolarHBondContact O-N 2.77Å; S3-H5 VanDerWaalsContact O-N 3.14Å |
| 4 | I | 43.2 | Very low | 40.1 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -79.5 | 96.1 | 169.1 | -54.1 | 177.8 | 0 | 0 | 0 | 106 | L2 N6 | L2-I4 PolarHBondContact O-N 2.99Å; I4-N6 PolarHBondContact O-N 2.75Å |
| 5 | H | 35.9 | Very low | 40.7 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -58.4 | 118.3 | 165.2 | -103.3 | -96.5 | 0 | 0 | 0 | 107.8 | S3 P7 | S3-H5 PolarHBondContact O-N 2.77Å; S3-H5 VanDerWaalsContact O-N 3.14Å; H5-P7 VanDerWaalsContact O-CD 3.22Å; H5-P7 WeakPolarHBondContact O-CD 3.45Å |
| 6 | N | 37.9 | Very low | 41.1 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | trans | -64.7 | 111.5 | 168.4 | -137.3 | -11.6 | 0 | 0 | 0 | 106.6 | I4 Q8 | I4-N6 PolarHBondContact O-N 2.75Å; N6-Q8 PolarHBondContact O-N 3.01Å; N6-Q8 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 40.4 | Very low | 41.9 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | trans | -68.5 | 116.5 | 171.8 | 25.5 | -22.2 | 0 | 0 | 0 | 106 | H5 A9 | H5-P7 VanDerWaalsContact O-CD 3.22Å; H5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-A9 PolarHBondContact O-N 2.89Å |
| 8 | Q | 36.9 | Very low | 42.5 | Very low | 188 Ų | 188 | 126.1 Ų | 126.1 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | | | trans | -47.3 | 114.9 | 164.8 | -80.1 | 173 | -12.4 | 0 | 0 | 106.8 | N6 D10 | N6-Q8 PolarHBondContact O-N 3.01Å; N6-Q8 VanDerWaalsContact O-N 3.12Å; Q8-D10 PolarHBondContact O-N 2.87Å |
| 9 | A | 43.9 | Very low | 43.1 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -58.7 | 110.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | P7 E11 | P7-A9 PolarHBondContact O-N 2.89Å; A9-E11 PolarHBondContact O-N 2.75Å; A9-E11 VanDerWaalsContact O-N 3.09Å |
| 10 | D | 39.4 | Very low | 43.5 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -56.6 | 110.6 | -180 | -151.3 | -37.5 | 0 | 0 | 0 | 108.5 | Q8 G12 A13 | Q8-D10 PolarHBondContact O-N 2.87Å; D10-G12 PolarHBondContact O-N 2.86Å; D10-A13 PolarHBondContact O-N 3.33Å |
| 11 | E | 47.2 | Very low | 44 | Very low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -18.4 | -177 | -67.9 | -179.1 | 159.9 | 0 | 0 | 112.1 | A9 A13 S14 | A9-E11 PolarHBondContact O-N 2.75Å; A9-E11 VanDerWaalsContact O-N 3.09Å; E11-A13 PolarHBondContact O-N 2.76Å; E11-S14 PolarHBondContact O-OG 2.83Å |
| 12 | G | 37.4 | Very low | 44.7 | Very low | 50 Ų | 50 | 114.8 Ų | 114.8 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -25.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | D10 S14 F15 | D10-G12 PolarHBondContact O-N 2.86Å; G12-S14 VanDerWaalsContact C-N 3.29Å; G12-S14 PolarHBondContact O-N 2.79Å; G12-F15 PolarHBondContact O-N 2.8Å |
| 13 | A | 44.2 | Very low | 45.2 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.6 | -26.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D10 E11 F15 | D10-A13 PolarHBondContact O-N 3.33Å; E11-A13 PolarHBondContact O-N 2.76Å; A13-F15 VanDerWaalsContact C-N 3.32Å; A13-F15 PolarHBondContact O-N 2.73Å |
| 14 | S | 49.7 | Very low | 46.3 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.8 | -29 | -179.6 | 81.2 | 0 | 0 | 0 | 0 | 112.7 | E11 G12 N18 | E11-S14 PolarHBondContact O-OG 2.83Å; G12-S14 VanDerWaalsContact C-N 3.29Å; G12-S14 PolarHBondContact O-N 2.79Å; S14-N18 PolarHBondContact O-N 3.44Å; S14-N18 PolarHBondContact O-ND2 3.11Å |
| 15 | F | 48.4 | Very low | 46.7 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.1 | -37.6 | -179.2 | -145.6 | -89.3 | 0 | 0 | 0 | 111.4 | G12 A13 N18 F19 | G12-F15 PolarHBondContact O-N 2.8Å; A13-F15 VanDerWaalsContact C-N 3.32Å; A13-F15 PolarHBondContact O-N 2.73Å; F15-N18 PolarHBondContact O-N 2.93Å; F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.17Å |
| 16 | G | 47.6 | Very low | 47 | Very low | 44 Ų | 44 | 104.2 Ų | 104.2 | 45% | 0.454 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -39.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L20 | G16-L20 WeakPolarHBondContact O-CB 3.43Å; G16-L20 PolarHBondContact O-N 2.71Å |
| 17 | L | 54.7 | Low | 47.3 | Very low | 112 Ų | 112 | 104.6 Ų | 104.6 | 59% | 0.586 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.3 | -40.2 | 178.4 | -72.8 | 173 | 0 | 0 | 0 | 112.3 | F19 L20 L21 | L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 2.88Å; L17-L20 PolarHBondContact O-N 3.23Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 PolarHBondContact O-N 3.13Å |
| 18 | N | 53.4 | Low | 47.3 | Very low | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 175.6 | -74.9 | -54.3 | 0 | 0 | 0 | 111.4 | S14 F15 N22 L29 | S14-N18 PolarHBondContact O-N 3.44Å; S14-N18 PolarHBondContact O-ND2 3.11Å; F15-N18 PolarHBondContact O-N 2.93Å; N18-N22 VanDerWaalsContact O-CB 3.32Å; N18-N22 WeakPolarHBondContact O-CB 3.16Å; N18-N22 PolarHBondContact O-N 3.35Å; N18-N22 VanDerWaalsContact O-N 3.09Å; N18-L29 HydrophobicContact CB-CD1 4.37Å; N18-L29 WeakPolarHBondContact OD1-CD1 3.37Å |
| 19 | F | 53 | Low | 47.8 | Very low | 127 Ų | 127 | 98.7 Ų | 98.7 | 56% | 0.557 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.1 | -43.7 | 175.1 | -173.7 | -98.5 | 0 | 0 | 0 | 112.2 | F15 L17 N22 M23 | F15-F19 WeakPolarHBondContact O-CB 3.45Å; F15-F19 PolarHBondContact O-N 3.17Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 2.88Å; F19-N22 PolarHBondContact O-N 2.76Å; F19-M23 HydrophobicContact CD1-CG 4.31Å; F19-M23 HydrophobicContact CE1-CG 3.9Å; F19-M23 HydrophobicContact CZ-CG 4.03Å; F19-M23 HydrophobicContact CZ-SD 4.42Å; F19-M23 WeakPolarHBondContact O-CG 3.5Å; F19-M23 PolarHBondContact O-N 3.07Å |
| 20 | L | 51.3 | Low | 47.7 | Very low | 106 Ų | 106 | 99.5 Ų | 99.5 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68 | -37.7 | -179.5 | -166.4 | 66.6 | 0 | 0 | 0 | 112.6 | G16 L17 T24 | G16-L20 WeakPolarHBondContact O-CB 3.43Å; G16-L20 PolarHBondContact O-N 2.71Å; L17-L20 PolarHBondContact O-N 3.23Å; L20-T24 WeakPolarHBondContact O-CB 3.4Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 VanDerWaalsContact O-N 3.11Å; L20-T24 PolarHBondContact O-OG1 3.34Å |
| 21 | L | 54.8 | Low | 47.8 | Very low | 82 Ų | 82 | 98.7 Ų | 98.7 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 173.2 | -102.6 | 123 | 0 | 0 | 0 | 112.2 | L17 T24 T25 L29 | L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 PolarHBondContact O-N 3.13Å; L21-T24 PolarHBondContact O-N 3.26Å; L21-T24 PolarHBondContact O-OG1 3.37Å; L21-T25 PolarHBondContact O-N 2.84Å; L21-T25 VanDerWaalsContact O-N 3.13Å; L21-T25 PolarHBondContact O-OG1 3.41Å; L21-L29 HydrophobicContact CB-CD1 4.36Å |
| 22 | N | 51.5 | Low | 47.4 | Very low | 62 Ų | 62 | 95.5 Ų | 95.5 | 33% | 0.332 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -42.7 | 178.4 | -165.4 | 6.1 | 0 | 0 | 0 | 111.3 | N18 F19 G26 F27 S28 | N18-N22 VanDerWaalsContact O-CB 3.32Å; N18-N22 WeakPolarHBondContact O-CB 3.16Å; N18-N22 PolarHBondContact O-N 3.35Å; N18-N22 VanDerWaalsContact O-N 3.09Å; F19-N22 PolarHBondContact O-N 2.76Å; N22-G26 PolarHBondContact O-N 2.98Å; N22-F27 PolarHBondContact OD1-O 3.46Å; N22-S28 VanDerWaalsContact OD1-CA 3.26Å; N22-S28 WeakPolarHBondContact OD1-CA 3.39Å; N22-S28 PolarHBondContact OD1-N 3.27Å |
| 23 | M | 46.9 | Very low | 47.4 | Very low | 136 Ų | 136 | 98 Ų | 98 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.4 | -31.6 | 178.1 | -74.6 | -68.3 | -70.5 | 0 | 0 | 114 | F19 | F19-M23 HydrophobicContact CD1-CG 4.31Å; F19-M23 HydrophobicContact CE1-CG 3.9Å; F19-M23 HydrophobicContact CZ-CG 4.03Å; F19-M23 HydrophobicContact CZ-SD 4.42Å; F19-M23 WeakPolarHBondContact O-CG 3.5Å; F19-M23 PolarHBondContact O-N 3.07Å |
| 24 | T | 54.3 | Low | 46.8 | Very low | 102 Ų | 102 | 104.1 Ų | 104.1 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -90.6 | -22.4 | -174.3 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | L20 L21 | L20-T24 WeakPolarHBondContact O-CB 3.4Å; L20-T24 VanDerWaalsContact O-CG2 3.27Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 VanDerWaalsContact O-N 3.11Å; L20-T24 PolarHBondContact O-OG1 3.34Å; L21-T24 PolarHBondContact O-N 3.26Å; L21-T24 PolarHBondContact O-OG1 3.37Å |
| 25 | T | 52.4 | Low | 46.1 | Very low | 65 Ų | 65 | 110.2 Ų | 110.2 | 40% | 0.399 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -117.7 | -9.7 | -174.1 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | L21 F27 | L21-T25 PolarHBondContact O-N 2.84Å; L21-T25 VanDerWaalsContact O-N 3.13Å; L21-T25 PolarHBondContact O-OG1 3.41Å; T25-F27 WeakPolarHBondContact O-CD2 3.26Å; T25-F27 PolarHBondContact O-N 3.48Å |
| 26 | G | 42.3 | Very low | 45.4 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 72% | 0.722 | 60% | 0.596 | S | S | * | * | | | trans | 67.9 | 9.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N22 | N22-G26 PolarHBondContact O-N 2.98Š|
| 27 | F | 44.3 | Very low | 45.2 | Very low | 154 Ų | 154 | 111.3 Ų | 111.3 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | | | trans | -89.4 | 107.6 | 173.4 | -78.7 | -84.7 | 0 | 0 | 0 | 109.8 | N22 T25 L29 | N22-F27 PolarHBondContact OD1-O 3.46Å; T25-F27 WeakPolarHBondContact O-CD2 3.26Å; T25-F27 PolarHBondContact O-N 3.48Å; F27-L29 PolarHBondContact O-N 3.36Å |
| 28 | S | 40.7 | Very low | 44.7 | Very low | 79 Ų | 79 | 111 Ų | 111 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | | | trans | -61.3 | 103 | 166.4 | 63.5 | 0 | 0 | 0 | 0 | 109 | N22 I30 | N22-S28 VanDerWaalsContact OD1-CA 3.26Å; N22-S28 WeakPolarHBondContact OD1-CA 3.39Å; N22-S28 PolarHBondContact OD1-N 3.27Å; S28-I30 PolarHBondContact O-N 3.45Å |
| 29 | L | 46.4 | Very low | 44.1 | Very low | 92 Ų | 92 | 110.2 Ų | 110.2 | 48% | 0.482 | 61% | 0.614 | S | S | . | * | | | trans | -69.1 | 79 | 159.9 | -73.7 | 165.5 | 0 | 0 | 0 | 106.7 | N18 L21 F27 P31 | N18-L29 HydrophobicContact CB-CD1 4.37Å; N18-L29 WeakPolarHBondContact OD1-CD1 3.37Å; L21-L29 HydrophobicContact CB-CD1 4.36Å; F27-L29 PolarHBondContact O-N 3.36Å; L29-P31 WeakPolarHBondContact O-CD 3.32Å |
| 30 | I | 42.5 | Very low | 43.4 | Very low | 110 Ų | 110 | 106.4 Ų | 106.4 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | | | trans | -56.4 | 123.1 | 161.3 | -63.2 | 166.7 | 0 | 0 | 0 | 104 | S28 L32 | S28-I30 PolarHBondContact O-N 3.45Å; I30-L32 HydrophobicContact CB-CG 4.49Å; I30-L32 HydrophobicContact CG2-CD2 4.31Å; I30-L32 HydrophobicContact CG2-CG 4.3Å; I30-L32 PolarHBondContact O-N 3.04Å |
| 31 | P | 40.7 | Very low | 42.8 | Very low | 120 Ų | 120 | 105.8 Ų | 105.8 | 78% | 0.779 | 61% | 0.608 | S | S | * | * | | | trans | -63.7 | 92.3 | 167.4 | 0 | 13.1 | 0 | 0 | 0 | 104.8 | L29 A33 | L29-P31 WeakPolarHBondContact O-CD 3.32Å; P31-A33 PolarHBondContact O-N 3.26Å |
| 32 | L | 38.4 | Very low | 42.1 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | | | trans | -71 | 83.5 | 173.8 | -79 | 166.7 | 0 | 0 | 0 | 105.5 | I30 R34 | I30-L32 HydrophobicContact CB-CG 4.49Å; I30-L32 HydrophobicContact CG2-CD2 4.31Å; I30-L32 HydrophobicContact CG2-CG 4.3Å; I30-L32 PolarHBondContact O-N 3.04Å; L32-R34 PolarHBondContact O-N 3.42Å |
| 33 | A | 37 | Very low | 41.6 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 86% | 0.86 | 63% | 0.629 | S | S | * | * | | | trans | -64.7 | 33.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111 | P31 | P31-A33 PolarHBondContact O-N 3.26Š|
| 34 | R | 33.3 | Very low | 41.3 | Very low | 199 Ų | 199 | 111.1 Ų | 111.1 | 75% | 0.751 | 63% | 0.625 | S | S | * | * | | | trans | -116.8 | 104.3 | 170.9 | -81 | -169 | 168.4 | 159.1 | -1.7 | 107.7 | L32 D36 | L32-R34 PolarHBondContact O-N 3.42Å; R34-D36 VanDerWaalsContact C-N 3.29Å; R34-D36 PolarHBondContact O-N 3.39Å |
| 35 | H | 33.6 | Very low | 40.6 | Very low | 198 Ų | 198 | 113.9 Ų | 113.9 | 92% | 0.917 | 62% | 0.624 | S | S | * | * | | | trans | -60.8 | 79.6 | 179.7 | -131 | -92.1 | 0 | 0 | 0 | 110.5 | | |
| 36 | D | 34.7 | Very low | 40.4 | Very low | 115 Ų | 115 | 116 Ų | 116 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | | | trans | -117.5 | 129 | 162.9 | -79.3 | -37.8 | 0 | 0 | 0 | 108.4 | R34 T38 T39 | R34-D36 VanDerWaalsContact C-N 3.29Å; R34-D36 PolarHBondContact O-N 3.39Å; D36-T38 PolarHBondContact O-N 3.17Å; D36-T39 PolarHBondContact O-N 3.02Å |
| 37 | S | 43.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -7.8 | -166.9 | 76.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 38 | T | 42.8 | Very low | 40.1 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 64% | 0.644 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -29 | 177.1 | -6.8 | 0 | 0 | 0 | 0 | 113.1 | D36 G40 N41 | D36-T38 PolarHBondContact O-N 3.17Å; T38-G40 VanDerWaalsContact C-N 3.35Å; T38-G40 PolarHBondContact O-N 3.04Å; T38-N41 PolarHBondContact O-N 3.49Å |
| 39 | T | 42.2 | Very low | 40.3 | Very low | 64 Ų | 64 | 114.3 Ų | 114.3 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -30 | -177.7 | -49.8 | 0 | 0 | 0 | 0 | 112 | D36 N41 F42 | D36-T39 PolarHBondContact O-N 3.02Å; T39-N41 PolarHBondContact O-N 3.32Å; T39-F42 PolarHBondContact O-N 2.85Å |
| 40 | G | 38.1 | Very low | 40.2 | Very low | 46 Ų | 46 | 114.1 Ų | 114.1 | 47% | 0.474 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59 | -31.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T38 F42 R44 | T38-G40 VanDerWaalsContact C-N 3.35Å; T38-G40 PolarHBondContact O-N 3.04Å; G40-F42 PolarHBondContact O-N 2.94Å; G40-R44 WeakPolarHBondContact O-CB 3.48Å; G40-R44 PolarHBondContact O-N 2.96Å; G40-R44 VanDerWaalsContact O-N 3.08Å |
| 41 | N | 38.3 | Very low | 40.3 | Very low | 94 Ų | 94 | 116.1 Ų | 116.1 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76.4 | -18 | -178 | -79.8 | -38.1 | 0 | 0 | 0 | 114.3 | T38 T39 R45 | T38-N41 PolarHBondContact O-N 3.49Å; T39-N41 PolarHBondContact O-N 3.32Å; N41-R45 WeakPolarHBondContact O-CB 3.46Å; N41-R45 WeakPolarHBondContact O-CG 3.21Å; N41-R45 PolarHBondContact O-NE 3.24Å |
| 42 | F | 39.7 | Very low | 40.1 | Very low | 140 Ų | 140 | 112.7 Ų | 112.7 | 61% | 0.614 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.3 | -48.5 | 176.1 | -113.8 | -86.4 | 0 | 0 | 0 | 110.9 | T39 G40 R44 R45 I46 | T39-F42 PolarHBondContact O-N 2.85Å; G40-F42 PolarHBondContact O-N 2.94Å; F42-R44 PolarHBondContact O-N 3.02Å; F42-R45 PolarHBondContact O-N 3.32Å; F42-I46 PolarHBondContact O-N 3.09Å |
| 43 | T | 42 | Very low | 40.2 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.9 | -39.4 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | R45 I46 L47 | T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.49Å; T43-I46 PolarHBondContact O-N 3.42Å; T43-L47 PolarHBondContact O-N 3.08Å |
| 44 | R | 40 | Very low | 40.3 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 59% | 0.589 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.7 | -32.9 | 177.8 | -150.1 | -174.3 | -144.8 | -106.9 | 9.8 | 112.7 | G40 F42 L47 H48 | G40-R44 WeakPolarHBondContact O-CB 3.48Å; G40-R44 PolarHBondContact O-N 2.96Å; G40-R44 VanDerWaalsContact O-N 3.08Å; F42-R44 PolarHBondContact O-N 3.02Å; R44-L47 PolarHBondContact O-N 3.29Å; R44-H48 PolarHBondContact NH1-NE2 3.14Å; R44-H48 PolarHBondContact O-CD2 2.99Å; R44-H48 PolarHBondContact O-N 3.35Å |
| 45 | R | 40.1 | Very low | 40.6 | Very low | 159 Ų | 159 | 120.7 Ų | 120.7 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.6 | -36.6 | 176 | -89.4 | -174.5 | -81.6 | -176.5 | -4.7 | 112.4 | N41 F42 T43 A49 | N41-R45 WeakPolarHBondContact O-CB 3.46Å; N41-R45 WeakPolarHBondContact O-CG 3.21Å; N41-R45 PolarHBondContact O-NE 3.24Å; F42-R45 PolarHBondContact O-N 3.32Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.49Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.03Å |
| 46 | I | 48.5 | Very low | 41.1 | Very low | 110 Ų | 110 | 116.1 Ų | 116.1 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.5 | -39.6 | 176.8 | -59.7 | 174.2 | 0 | 0 | 0 | 110.5 | F42 T43 A49 S50 | F42-I46 PolarHBondContact O-N 3.09Å; T43-I46 PolarHBondContact O-N 3.42Å; I46-A49 WeakPolarHBondContact O-CB 3.42Å; I46-A49 PolarHBondContact O-N 3.22Å; I46-S50 PolarHBondContact O-N 3.45Å; I46-S50 PolarHBondContact O-OG 3.21Å |
| 47 | L | 40 | Very low | 41.1 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.8 | -36 | -178.6 | -168 | 66.9 | 0 | 0 | 0 | 113.5 | T43 R44 A49 S50 | T43-L47 PolarHBondContact O-N 3.08Å; R44-L47 PolarHBondContact O-N 3.29Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.37Å; L47-S50 PolarHBondContact O-N 3.04Å; L47-S50 PolarHBondContact O-OG 3.48Å |
| 48 | H | 39.5 | Very low | 41.1 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 56% | 0.56 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.4 | -28.6 | 173.3 | -81.5 | -63.7 | 0 | 0 | 0 | 112.9 | R44 S50 | R44-H48 PolarHBondContact NH1-NE2 3.14Å; R44-H48 PolarHBondContact O-CD2 2.99Å; R44-H48 PolarHBondContact O-N 3.35Å; H48-S50 VanDerWaalsContact C-N 3.29Å; H48-S50 PolarHBondContact O-N 3.32Å |
| 49 | A | 43.8 | Very low | 40.9 | Very low | 25 Ų | 25 | 123.5 Ų | 123.5 | 21% | 0.207 | 63% | 0.625 | C | S | . | * | H | α-helix | trans | -64.5 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R45 I46 L47 L56 | R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 3.03Å; I46-A49 WeakPolarHBondContact O-CB 3.42Å; I46-A49 PolarHBondContact O-N 3.22Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.37Å; A49-L56 HydrophobicContact CB-CD1 3.08Å; A49-L56 HydrophobicContact CB-CD2 3.72Å; A49-L56 HydrophobicContact CB-CG 3.96Å; A49-L56 WeakPolarHBondContact O-CD1 3.22Å |
| 50 | S | 45.8 | Very low | 41.2 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 62% | 0.615 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -7.9 | -176.5 | 38.9 | 0 | 0 | 0 | 0 | 115.6 | I46 L47 H48 | I46-S50 PolarHBondContact O-N 3.45Å; I46-S50 PolarHBondContact O-OG 3.21Å; L47-S50 PolarHBondContact O-N 3.04Å; L47-S50 PolarHBondContact O-OG 3.48Å; H48-S50 VanDerWaalsContact C-N 3.29Å; H48-S50 PolarHBondContact O-N 3.32Å |
| 51 | N | 43.3 | Very low | 41.2 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 21.4 | -169 | -147.4 | 25.2 | 0 | 0 | 0 | 114.8 | | |
| 52 | G | 37.5 | Very low | 41.3 | Very low | 48 Ų | 48 | 133.5 Ų | 133.5 | 50% | 0.495 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -150.7 | 136.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E54 | G52-E54 PolarHBondContact O-N 2.8Š|
| 53 | E | 41.3 | Very low | 41.1 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 97% | 0.972 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -64 | 45.7 | -174.6 | -60 | -177.9 | 134.7 | 0 | 0 | 115.1 | | |
| 54 | E | 39 | Very low | 41 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | | | trans | -119.9 | 110.5 | 178 | -62.8 | -167.3 | -178.9 | 0 | 0 | 108.8 | G52 L56 | G52-E54 PolarHBondContact O-N 2.8Å; E54-L56 PolarHBondContact O-N 3.04Å |
| 55 | K | 37.8 | Very low | 41.3 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 90% | 0.904 | 68% | 0.683 | S | S | * | * | | | trans | -46.9 | 101.4 | 173.9 | -76.5 | 177 | 176.5 | 174.4 | 0 | 109.3 | Q57 | K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 3.5Å |
| 56 | L | 44.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 136 Ų | 136 | 53% | 0.534 | 69% | 0.693 | S | S | . | * | | | trans | -65.8 | 99.1 | 171.5 | -62 | 156.7 | 0 | 0 | 0 | 107.4 | A49 E54 C58 | A49-L56 HydrophobicContact CB-CD1 3.08Å; A49-L56 HydrophobicContact CB-CD2 3.72Å; A49-L56 HydrophobicContact CB-CG 3.96Å; A49-L56 WeakPolarHBondContact O-CD1 3.22Å; E54-L56 PolarHBondContact O-N 3.04Å; L56-C58 PolarHBondContact O-N 3.02Å |
| 57 | Q | 36.5 | Very low | 40.6 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | | | trans | -66.4 | 73.8 | 154.2 | -70.5 | -174.1 | 0.9 | 0 | 0 | 107.1 | K55 R59 | K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 3.5Å; Q57-R59 PolarHBondContact O-N 2.82Å |
| 58 | C | 42.5 | Very low | 40.7 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | trans | -67.5 | 77.8 | 164.2 | -74.6 | 0 | 0 | 0 | 0 | 106.9 | L56 I60 | L56-C58 PolarHBondContact O-N 3.02Å; C58-I60 PolarHBondContact O-N 2.83Å |
| 59 | R | 38.6 | Very low | 40.7 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | trans | -69.8 | 84 | 163.8 | -172.2 | 175 | -179.2 | 177.4 | -0 | 106 | Q57 Q61 | Q57-R59 PolarHBondContact O-N 2.82Å; R59-Q61 VanDerWaalsContact C-N 3.26Å; R59-Q61 PolarHBondContact O-N 3.44Å |
| 60 | I | 49.1 | Very low | 40.9 | Very low | 131 Ų | 131 | 151.9 Ų | 151.9 | 67% | 0.672 | 76% | 0.758 | S | S | * | * | | | trans | -61.2 | 99.8 | 164.6 | -60.4 | 173.8 | 0 | 0 | 0 | 104.7 | C58 V62 | C58-I60 PolarHBondContact O-N 2.83Å; I60-V62 HydrophobicContact CG2-CG2 4.14Å; I60-V62 PolarHBondContact O-N 3.43Å |
| 61 | Q | 37.7 | Very low | 40.7 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -75.9 | 85.4 | 175.5 | -158.3 | 172 | 64 | 0 | 0 | 106.4 | R59 G63 | R59-Q61 VanDerWaalsContact C-N 3.26Å; R59-Q61 PolarHBondContact O-N 3.44Å; Q61-G63 PolarHBondContact O-N 3.19Å |
| 62 | V | 40.7 | Very low | 41 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -61.3 | 108.2 | 166.6 | -162.8 | 0 | 0 | 0 | 0 | 104.9 | I60 S64 | I60-V62 HydrophobicContact CG2-CG2 4.14Å; I60-V62 PolarHBondContact O-N 3.43Å; V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 PolarHBondContact O-N 3.37Å |
| 63 | G | 34.5 | Very low | 41.2 | Very low | 68 Ų | 68 | 164.7 Ų | 164.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -57.7 | 95 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q61 R65 | Q61-G63 PolarHBondContact O-N 3.19Å; G63-R65 PolarHBondContact O-N 3.48Å |
| 64 | S | 39.8 | Very low | 41.6 | Very low | 94 Ų | 94 | 165.5 Ų | 165.5 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | -58.6 | 107.6 | 166.4 | 146.7 | 0 | 0 | 0 | 0 | 106.3 | V62 R66 | V62-S64 VanDerWaalsContact C-N 3.29Å; V62-S64 PolarHBondContact O-N 3.37Å; S64-R66 PolarHBondContact O-N 3.03Å |
| 65 | R | 46 | Very low | 41.8 | Very low | 229 Ų | 229 | 163 Ų | 163 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -74.5 | 54.9 | -177.4 | -152.3 | -176.9 | -164.4 | -140.4 | 4.3 | 110.8 | G63 | G63-R65 PolarHBondContact O-N 3.48Š|
| 66 | R | 36.5 | Very low | 41.9 | Very low | 212 Ų | 212 | 156.4 Ų | 156.4 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -129.4 | 118 | 173.6 | -69.9 | -174.9 | 178.4 | 176.7 | -0 | 108 | S64 | S64-R66 PolarHBondContact O-N 3.03Š|
| 67 | D | 38.8 | Very low | 41.5 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | 76.6 | 59.9 | 165.6 | -56.4 | -35.5 | 0 | 0 | 0 | 119.9 | | |
| 68 | V | 41.2 | Very low | 41.8 | Very low | 124 Ų | 124 | 154 Ų | 154 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -117.3 | 98.5 | 144.7 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | R70 | V68-R70 HydrophobicContact CG1-CB 4.01Å; V68-R70 HydrophobicContact CG1-CG 4.04Å; V68-R70 PolarHBondContact O-N 2.92Å |
| 69 | K | 39.7 | Very low | 41.8 | Very low | 218 Ų | 218 | 158.8 Ų | 158.8 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | | | trans | -56.9 | 66.9 | 159.2 | -73.4 | 177.8 | 171.4 | 175.8 | 0 | 111.2 | | |
| 70 | R | 48.1 | Very low | 42 | Very low | 214 Ų | 214 | 152.6 Ų | 152.6 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -128.2 | 121.7 | 162.6 | -82 | -175.4 | 170.1 | 165.2 | -2.6 | 108 | V68 Q72 | V68-R70 HydrophobicContact CG1-CB 4.01Å; V68-R70 HydrophobicContact CG1-CG 4.04Å; V68-R70 PolarHBondContact O-N 2.92Å; R70-Q72 PolarHBondContact O-N 2.7Å |
| 71 | K | 41.5 | Very low | 42.1 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -51.5 | 87.9 | 165.4 | -70.4 | -174.5 | 173.5 | -175.8 | 0 | 108.7 | Q73 | K71-Q73 VanDerWaalsContact C-N 3.28Å; K71-Q73 PolarHBondContact O-N 2.85Å |
| 72 | Q | 49.3 | Very low | 42.5 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -88.7 | 84.4 | 160 | -138.4 | 176.9 | 13.8 | 0 | 0 | 104.3 | R70 R74 | R70-Q72 PolarHBondContact O-N 2.7Å; Q72-R74 VanDerWaalsContact C-N 3.34Å; Q72-R74 PolarHBondContact O-N 2.97Å |
| 73 | Q | 42.9 | Very low | 42.9 | Very low | 171 Ų | 171 | 154 Ų | 154 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | | | trans | -53 | 108.9 | 161 | -84.7 | 174 | -84.3 | 0 | 0 | 105.7 | K71 S75 | K71-Q73 VanDerWaalsContact C-N 3.28Å; K71-Q73 PolarHBondContact O-N 2.85Å; Q73-S75 PolarHBondContact O-N 2.95Å |
| 74 | R | 49.3 | Very low | 43.8 | Very low | 224 Ų | 224 | 156.6 Ų | 156.6 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -64.5 | 88.2 | 159.9 | -83.1 | -176.7 | 167.3 | -178.8 | -5.9 | 106.3 | Q72 G76 | Q72-R74 VanDerWaalsContact C-N 3.34Å; Q72-R74 PolarHBondContact O-N 2.97Å; R74-G76 PolarHBondContact O-N 3.22Å; R74-G76 VanDerWaalsContact O-N 3.07Å |
| 75 | S | 43.4 | Very low | 44.2 | Very low | 113 Ų | 113 | 160.7 Ų | 160.7 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -74.4 | 75.2 | 146 | 48.6 | 0 | 0 | 0 | 0 | 105.8 | Q73 G77 | Q73-S75 PolarHBondContact O-N 2.95Å; S75-G77 PolarHBondContact O-N 3.12Å |
| 76 | G | 39.5 | Very low | 44.2 | Very low | 68 Ų | 68 | 158.3 Ų | 158.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -64.1 | 104.8 | 164 | 0 | 0 | 0 | 0 | 0 | 105.8 | R74 Q78 | R74-G76 PolarHBondContact O-N 3.22Å; R74-G76 VanDerWaalsContact O-N 3.07Å; G76-Q78 PolarHBondContact O-N 3.09Å |
| 77 | G | 35.7 | Very low | 44.5 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -54.2 | 112.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S75 E79 | S75-G77 PolarHBondContact O-N 3.12Å; G77-E79 PolarHBondContact O-N 2.99Å |
| 78 | Q | 43 | Very low | 44.7 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -65.5 | 112.1 | 158.9 | -171.1 | 170.5 | 13.9 | 0 | 0 | 105.1 | G76 V80 | G76-Q78 PolarHBondContact O-N 3.09Å; Q78-V80 HydrophobicContact CB-CG2 4.23Å; Q78-V80 HydrophobicContact CG-CG2 3.83Å; Q78-V80 PolarHBondContact O-N 2.77Å |
| 79 | E | 41.7 | Very low | 44.9 | Very low | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -66 | 89.2 | 160.1 | -71.7 | -176.9 | -178.3 | 0 | 0 | 106.1 | G77 S81 | G77-E79 PolarHBondContact O-N 2.99Å; E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 2.99Å |
| 80 | V | 44 | Very low | 45.5 | Very low | 82 Ų | 82 | 153.6 Ų | 153.6 | 50% | 0.497 | 79% | 0.787 | S | S | . | * | | | trans | -70.7 | 95.1 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 105.2 | Q78 H82 | Q78-V80 HydrophobicContact CB-CG2 4.23Å; Q78-V80 HydrophobicContact CG-CG2 3.83Å; Q78-V80 PolarHBondContact O-N 2.77Å; V80-H82 VanDerWaalsContact C-N 3.29Å; V80-H82 PolarHBondContact O-N 2.84Å |
| 81 | S | 50.6 | Low | 45.4 | Very low | 84 Ų | 84 | 152.6 Ų | 152.6 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 99.1 | 158.5 | 174 | 0 | 0 | 0 | 0 | 106.8 | E79 Y83 | E79-S81 VanDerWaalsContact C-N 3.27Å; E79-S81 PolarHBondContact O-N 2.99Å; S81-Y83 PolarHBondContact O-N 2.92Å |
| 82 | H | 46.8 | Very low | 45.8 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -68.5 | 93.3 | 159.1 | -76.4 | -75 | 0 | 0 | 0 | 106.4 | V80 | V80-H82 VanDerWaalsContact C-N 3.29Å; V80-H82 PolarHBondContact O-N 2.84Å |
| 83 | Y | 48.2 | Very low | 45.6 | Very low | 194 Ų | 194 | 149.4 Ų | 149.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 128 | 153.3 | -83.9 | -93 | 0 | 0 | 0 | 106.6 | S81 E85 | S81-Y83 PolarHBondContact O-N 2.92Å; Y83-E85 PolarHBondContact O-N 3.08Å; Y83-E85 VanDerWaalsContact O-N 3.08Å |
| 84 | P | 54.7 | Low | 45.5 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.1 | 163.4 | 23.9 | -28.7 | 0 | 0 | 0 | 106.8 | D86 | P84-D86 PolarHBondContact O-N 3.46Š|
| 85 | E | 47.8 | Very low | 45.2 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 134.6 | 168.3 | -74.2 | 167.6 | 142.6 | 0 | 0 | 108.9 | Y83 G87 | Y83-E85 PolarHBondContact O-N 3.08Å; Y83-E85 VanDerWaalsContact O-N 3.08Å; E85-G87 PolarHBondContact O-N 2.9Å |
| 86 | D | 46 | Very low | 45.5 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 96% | 0.957 | 78% | 0.781 | S | S | * | * | | | trans | -44.9 | 106.7 | 167.4 | -74.7 | -49.9 | 0 | 0 | 0 | 109.4 | P84 | P84-D86 PolarHBondContact O-N 3.46Š|
| 87 | G | 42 | Very low | 46.2 | Very low | 64 Ų | 64 | 146.5 Ų | 146.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -155.1 | 68.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E85 | E85-G87 PolarHBondContact O-N 2.9Š|
| 88 | D | 43.6 | Very low | 47.1 | Very low | 158 Ų | 158 | 151.6 Ų | 151.6 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 70.6 | 121 | 154.1 | -79.7 | -30.7 | 0 | 0 | 0 | 120.7 | | |
| 89 | R | 46.2 | Very low | 47.4 | Very low | 219 Ų | 219 | 152.1 Ų | 152.1 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | 85.8 | 73.2 | 150.2 | -65.8 | 173.3 | 164.2 | -169 | -1.8 | 118.4 | | |
| 90 | L | 52.2 | Low | 48.1 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -88.9 | 101.2 | 133.5 | -79.7 | 164.7 | 0 | 0 | 0 | 108.1 | E92 | L90-E92 PolarHBondContact O-N 3.09Š|
| 91 | K | 45.2 | Very low | 48.2 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -64.1 | 90 | 159.7 | -88.5 | -176.6 | 171.3 | -177.1 | 0 | 106.9 | T93 | K91-T93 PolarHBondContact O-N 2.92Å; K91-T93 VanDerWaalsContact O-N 3.09Å |
| 92 | E | 49.7 | Very low | 48.1 | Very low | 175 Ų | 175 | 160.5 Ų | 160.5 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | | | trans | -68.2 | 104.4 | 160.8 | -78.9 | -171 | 158.2 | 0 | 0 | 108.2 | L90 G94 | L90-E92 PolarHBondContact O-N 3.09Å; E92-G94 PolarHBondContact O-N 3.2Å |
| 93 | T | 44.7 | Very low | 48.2 | Very low | 147 Ų | 147 | 160.2 Ų | 160.2 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | | | trans | -27 | 108.7 | 145.5 | 24.7 | 0 | 0 | 0 | 0 | 112.2 | K91 | K91-T93 PolarHBondContact O-N 2.92Å; K91-T93 VanDerWaalsContact O-N 3.09Å |
| 94 | G | 40.6 | Very low | 48.2 | Very low | 71 Ų | 71 | 158.3 Ų | 158.3 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | | | trans | -173.5 | 49.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E92 | E92-G94 PolarHBondContact O-N 3.2Š|
| 95 | R | 43.3 | Very low | 47.8 | Very low | 246 Ų | 246 | 160.4 Ų | 160.4 | 93% | 0.928 | 86% | 0.857 | S | S | * | * | | | trans | -130.4 | 87.9 | 161.8 | -84.3 | -170.2 | -178.4 | -156.9 | -0.7 | 108.2 | | |
| 96 | G | 50.3 | Low | 47.8 | Very low | 64 Ų | 64 | 159.2 Ų | 159.2 | 66% | 0.66 | 86% | 0.858 | S | S | * | * | | | trans | -68.9 | 147.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | E98 | G96-E98 PolarHBondContact O-N 3.28Š|
| 97 | P | 53 | Low | 47.9 | Very low | 134 Ų | 134 | 157.9 Ų | 157.9 | 87% | 0.87 | 85% | 0.851 | S | S | * | * | | | trans | -80.2 | 98.1 | 167.2 | 31.8 | -26.4 | 0 | 0 | 0 | 107.7 | | |
| 98 | E | 56.1 | Low | 48.3 | Very low | 178 Ų | 178 | 164.6 Ų | 164.6 | 83% | 0.832 | 87% | 0.865 | S | S | * | * | | | trans | -103.4 | 107.4 | 159.6 | -83.8 | -179.2 | 172.1 | 0 | 0 | 108.1 | G96 | G96-E98 PolarHBondContact O-N 3.28Š|
| 99 | E | 49.8 | Very low | 48.7 | Very low | 179 Ų | 179 | 165.1 Ų | 165.1 | 84% | 0.836 | 87% | 0.866 | S | S | * | * | | | trans | 73.4 | 91.8 | 142.3 | -60.2 | 174.2 | 179 | 0 | 0 | 117.6 | | |
| 100 | D | 55.9 | Low | 48.9 | Very low | 166 Ų | 166 | 160.6 Ų | 160.6 | 89% | 0.888 | 87% | 0.869 | S | S | * | * | | | trans | -71.2 | 121.7 | 151.7 | -138.2 | -2.2 | 0 | 0 | 0 | 107.8 | | |
| 101 | V | 45.7 | Very low | 48.6 | Very low | 207 Ų | 207 | 160 Ų | 160 | 100% | 1.255 | 87% | 0.869 | S | S | * | * | | | trans | 8.9 | 0 | 160.2 | -171.7 | 0 | 0 | 0 | 0 | 118.9 | | |