| 1 | M | 48.3 | Very low | 57.8 | Low | 240 Ų | 240 | 135.2 Ų | 135.2 | 100% | 1.182 | 82% | 0.823 | S | S | * | * | | | | 0 | 82 | 0 | -172.3 | 157.7 | 69.2 | 0 | 0 | 108.6 | | |
| 2 | I | 56.1 | Low | 57.5 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | | | trans | -135.7 | 101 | 169.9 | -66.9 | 139.9 | 0 | 0 | 0 | 104 | F4 | I2-F4 HydrophobicContact CG2-CD2 3.83Å; I2-F4 HydrophobicContact CG2-CE2 3.28Å; I2-F4 HydrophobicContact CG2-CZ 3.77Å |
| 3 | G | 47 | Very low | 56.7 | Low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | trans | -92 | 114.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 4 | F | 64.6 | Low | 56.6 | Low | 194 Ų | 194 | 129.6 Ų | 129.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -94.9 | 102.9 | 166.8 | -73.2 | -73.7 | 0 | 0 | 0 | 108.2 | I2 | I2-F4 HydrophobicContact CG2-CD2 3.83Å; I2-F4 HydrophobicContact CG2-CE2 3.28Å; I2-F4 HydrophobicContact CG2-CZ 3.77Å |
| 5 | S | 63.7 | Low | 56.6 | Low | 118 Ų | 118 | 129.4 Ų | 129.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -62.1 | 134.4 | 172.4 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 6 | S | 56.3 | Low | 56.9 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -41 | 131.7 | 174.4 | 50.9 | 0 | 0 | 0 | 0 | 115 | | |
| 7 | A | 60.8 | Low | 56.9 | Low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -95.1 | 109.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 8 | S | 56.5 | Low | 56.8 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -103.2 | 116.2 | 167.7 | -65.6 | 0 | 0 | 0 | 0 | 109 | L10 | S8-L10 PolarHBondContact O-N 3.32Š|
| 9 | P | 62.7 | Low | 56.2 | Low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | trans | -86.2 | 96.6 | 161.5 | 30.4 | -26.3 | 0 | 0 | 0 | 108.8 | T11 | P9-T11 VanDerWaalsContact C-N 3.32Å; P9-T11 HydrophobicContact CB-CG2 4.4Å; P9-T11 PolarHBondContact O-N 3.43Å |
| 10 | L | 61.8 | Low | 56 | Low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | -65.3 | 94.2 | 159.4 | -69.8 | 166.3 | 0 | 0 | 0 | 107.1 | S8 | S8-L10 PolarHBondContact O-N 3.32Š|
| 11 | T | 58.1 | Low | 55.9 | Low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -98.2 | 114.6 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 109 | P9 S13 | P9-T11 VanDerWaalsContact C-N 3.32Å; P9-T11 HydrophobicContact CB-CG2 4.4Å; P9-T11 PolarHBondContact O-N 3.43Å; T11-S13 PolarHBondContact O-N 3.03Å |
| 12 | S | 53.8 | Low | 56.1 | Low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -53 | 125.4 | -173.6 | -60.2 | 0 | 0 | 0 | 0 | 113.5 | S14 | S12-S14 PolarHBondContact O-N 3.15Š|
| 13 | S | 47.8 | Very low | 55.7 | Low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -67 | 101.6 | 153.4 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | T11 | T11-S13 PolarHBondContact O-N 3.03Š|
| 14 | S | 55.2 | Low | 55.9 | Low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -118.9 | 95.1 | 165.5 | -65.8 | 0 | 0 | 0 | 0 | 108 | S12 P16 | S12-S14 PolarHBondContact O-N 3.15Å; S14-P16 WeakPolarHBondContact O-CD 3.31Å |
| 15 | T | 56.4 | Low | 54.9 | Low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 116.2 | 167.2 | 44.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 16 | P | 61.1 | Low | 53.8 | Low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140.3 | 169.5 | 31 | -29.1 | 0 | 0 | 0 | 109.8 | S14 | S14-P16 WeakPolarHBondContact O-CD 3.31Š|
| 17 | F | 56.7 | Low | 53.2 | Low | 192 Ų | 192 | 131.6 Ų | 131.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.1 | -170 | -70.7 | -102.6 | 0 | 0 | 0 | 116.1 | | |
| 18 | I | 54.9 | Low | 52.7 | Low | 147 Ų | 147 | 131.8 Ų | 131.8 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | 25.6 | 95.5 | 134 | -51.3 | -176.3 | 0 | 0 | 0 | 116.9 | | |
| 19 | Q | 46.4 | Very low | 52.3 | Low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | 1.5 | 119 | 136.1 | -161.4 | 168.7 | -42.2 | 0 | 0 | 117.8 | | |
| 20 | S | 51.5 | Low | 52 | Low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -146.4 | 101 | 160.4 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 21 | S | 53.4 | Low | 51.6 | Low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 36.9 | 119.9 | 155.9 | -48.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 22 | P | 53.8 | Low | 51.3 | Low | 139 Ų | 139 | 131.3 Ų | 131.3 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | | | trans | -88.8 | 106.5 | 155.6 | 33.1 | -24.3 | 0 | 0 | 0 | 109.6 | | |
| 23 | S | 46.3 | Very low | 51.3 | Low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -95.4 | 146 | 163.1 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 24 | S | 51.4 | Low | 51.6 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 87.3 | 87.5 | 175 | -29.5 | 0 | 0 | 0 | 0 | 114 | | |
| 25 | K | 43.6 | Very low | 51.2 | Low | 204 Ų | 204 | 131.5 Ų | 131.5 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | | 72 | 97.3 | 77.6 | -152.3 | 153.2 | -170.3 | 170.8 | 0 | 112.6 | | |
| 26 | S | 40.6 | Very low | 50.9 | Low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | trans | 50.3 | 99.9 | 140 | 176.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 27 | H | 45.5 | Very low | 50.4 | Low | 181 Ų | 181 | 129.1 Ų | 129.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -159 | 129.6 | 133.5 | -90.3 | -57.4 | 0 | 0 | 0 | 110.7 | | |
| 28 | S | 49.5 | Very low | 50.3 | Low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 80.7 | 128.1 | 156.4 | -54 | 0 | 0 | 0 | 0 | 119.1 | A30 | S28-A30 PolarHBondContact O-N 2.92Š|
| 29 | P | 47.3 | Very low | 50.2 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -72.3 | 113.4 | 168.4 | 30.9 | -28.5 | 0 | 0 | 0 | 107.5 | I31 | P29-I31 PolarHBondContact O-N 3.23Š|
| 30 | A | 57.9 | Low | 50.5 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | -71.4 | 82.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S28 N32 | S28-A30 PolarHBondContact O-N 2.92Å; A30-N32 PolarHBondContact O-N 2.93Å |
| 31 | I | 52.6 | Low | 50.5 | Low | 138 Ų | 138 | 120 Ų | 120 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | trans | -67.3 | 112.7 | 155.3 | -38.5 | 169.3 | 0 | 0 | 0 | 104.1 | P29 | P29-I31 PolarHBondContact O-N 3.23Š|
| 32 | N | 52.4 | Low | 50.7 | Low | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | | | trans | 153.8 | 103.8 | 153.9 | -75.8 | -25.1 | 0 | 0 | 0 | 110.4 | A30 | A30-N32 PolarHBondContact O-N 2.93Š|
| 33 | S | 52.3 | Low | 51.2 | Low | 107 Ų | 107 | 114.5 Ų | 114.5 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | | | | 151 | 123 | 121.4 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | S35 | S33-S35 PolarHBondContact O-N 3.35Š|
| 34 | P | 54.2 | Low | 52.6 | Low | 117 Ų | 117 | 116.4 Ų | 116.4 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | trans | -64.5 | 113.4 | 169.2 | 27.8 | -29.9 | 0 | 0 | 0 | 107.5 | S36 | P34-S36 PolarHBondContact O-N 3.24Š|
| 35 | S | 48.2 | Very low | 54.1 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | | | trans | -65.6 | 79.4 | 165.9 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | S33 S37 | S33-S35 PolarHBondContact O-N 3.35Å; S35-S37 PolarHBondContact O-N 3.41Å; S35-S37 PolarHBondContact OG-OG 3.3Å |
| 36 | S | 49.8 | Very low | 56 | Low | 98 Ų | 98 | 111.1 Ų | 111.1 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | | | trans | -80.7 | 73.9 | 165.9 | -68.4 | 0 | 0 | 0 | 0 | 107.4 | P34 R38 | P34-S36 PolarHBondContact O-N 3.24Å; S36-R38 PolarHBondContact O-N 2.79Å |
| 37 | S | 49.6 | Very low | 58.2 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | | | trans | -66 | 69.1 | 160.4 | -52.7 | 0 | 0 | 0 | 0 | 107.9 | S35 S39 | S35-S37 PolarHBondContact O-N 3.41Å; S35-S37 PolarHBondContact OG-OG 3.3Å; S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 3.34Å |
| 38 | R | 54.9 | Low | 60.3 | Low | 194 Ų | 194 | 107.5 Ų | 107.5 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | | | trans | -70.5 | 94.6 | -179.9 | -157 | 172.4 | 179.3 | 178.4 | 1.2 | 106 | S36 S40 | S36-R38 PolarHBondContact O-N 2.79Å; R38-S40 PolarHBondContact O-N 2.95Å |
| 39 | S | 52.3 | Low | 62.2 | Low | 70 Ų | 70 | 105.8 Ų | 105.8 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | | | trans | -29.5 | 120.2 | 176.7 | 176 | 0 | 0 | 0 | 0 | 110.8 | S37 S41 S42 | S37-S39 VanDerWaalsContact C-N 3.29Å; S37-S39 PolarHBondContact O-N 3.34Å; S39-S41 PolarHBondContact O-N 2.81Å; S39-S41 PolarHBondContact OG-OG 3.42Å; S39-S42 PolarHBondContact O-N 3.01Å; S39-S42 PolarHBondContact O-OG 3.27Å |
| 40 | S | 53.9 | Low | 64.2 | Low | 107 Ų | 107 | 108 Ų | 108 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -7.7 | -179.8 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | R38 | R38-S40 PolarHBondContact O-N 2.95Š|
| 41 | S | 52.2 | Low | 65.7 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -30.2 | 170.6 | 67.6 | 0 | 0 | 0 | 0 | 114 | S39 N43 K44 | S39-S41 PolarHBondContact O-N 2.81Å; S39-S41 PolarHBondContact OG-OG 3.42Å; S41-N43 VanDerWaalsContact C-N 3.27Å; S41-N43 PolarHBondContact O-N 3.05Å; S41-K44 PolarHBondContact O-N 2.9Å |
| 42 | S | 57.1 | Low | 67.6 | Low | 53 Ų | 53 | 105.1 Ų | 105.1 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.6 | -19.4 | -177.6 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | S39 K44 | S39-S42 PolarHBondContact O-N 3.01Å; S39-S42 PolarHBondContact O-OG 3.27Å; S42-K44 VanDerWaalsContact C-N 3.34Å |
| 43 | N | 63 | Low | 69.5 | Low | 80 Ų | 80 | 104.8 Ų | 104.8 | 43% | 0.428 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -76.3 | -20.5 | 175.4 | -76.8 | -31 | 0 | 0 | 0 | 113.1 | S41 A46 L47 | S41-N43 VanDerWaalsContact C-N 3.27Å; S41-N43 PolarHBondContact O-N 3.05Å; N43-A46 PolarHBondContact O-N 2.86Å; N43-L47 WeakPolarHBondContact O-CB 2.8Å; N43-L47 VanDerWaalsContact O-CG 3.3Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.91Å |
| 44 | K | 76.3 | Confident | 71.2 | Confident | 144 Ų | 144 | 107.3 Ų | 107.3 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -46 | -179.8 | -67.7 | -174.7 | 179.3 | -179.2 | 0 | 111.3 | S41 S42 A46 L47 I48 | S41-K44 PolarHBondContact O-N 2.9Å; S42-K44 VanDerWaalsContact C-N 3.34Å; K44-A46 PolarHBondContact O-N 3.25Å; K44-L47 PolarHBondContact O-N 2.64Å; K44-I48 WeakPolarHBondContact O-CD1 3.25Å; K44-I48 WeakPolarHBondContact O-CG1 3.46Å; K44-I48 PolarHBondContact O-N 3.38Å |
| 45 | F | 83.2 | Confident | 72.9 | Confident | 149 Ų | 149 | 105 Ų | 105 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -43.5 | 177.6 | -173.4 | -99.2 | 0 | 0 | 0 | 111.6 | L47 I48 V49 | F45-L47 VanDerWaalsContact C-N 3.33Å; F45-L47 PolarHBondContact O-N 3.04Å; F45-I48 PolarHBondContact O-N 3.09Å; F45-V49 HydrophobicContact CD1-CG2 3.94Å; F45-V49 HydrophobicContact CE1-CG2 3.53Å; F45-V49 HydrophobicContact CE2-CG2 4.31Å; F45-V49 HydrophobicContact CG-CG2 4.49Å; F45-V49 HydrophobicContact CZ-CG2 3.74Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.38Å |
| 46 | A | 83.3 | Confident | 74.7 | Confident | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N43 K44 K50 | N43-A46 PolarHBondContact O-N 2.86Å; K44-A46 PolarHBondContact O-N 3.25Å; A46-K50 VanDerWaalsContact O-CB 3.28Å; A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3.39Å |
| 47 | L | 86.4 | Confident | 76.4 | Confident | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -44.9 | 174 | -77 | 167.1 | 0 | 0 | 0 | 111.8 | N43 K44 F45 K50 V51 | N43-L47 WeakPolarHBondContact O-CB 2.8Å; N43-L47 VanDerWaalsContact O-CG 3.3Å; N43-L47 WeakPolarHBondContact O-CG 3.42Å; N43-L47 PolarHBondContact O-N 2.91Å; K44-L47 PolarHBondContact O-N 2.64Å; F45-L47 VanDerWaalsContact C-N 3.33Å; F45-L47 PolarHBondContact O-N 3.04Å; L47-K50 PolarHBondContact O-N 3.18Å; L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.35Å; L47-V51 PolarHBondContact O-N 3.4Å |
| 48 | I | 89.8 | Confident | 77.8 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 178.1 | -69.2 | 161 | 0 | 0 | 0 | 110.5 | K44 F45 K50 V51 I52 | K44-I48 WeakPolarHBondContact O-CD1 3.25Å; K44-I48 WeakPolarHBondContact O-CG1 3.46Å; K44-I48 PolarHBondContact O-N 3.38Å; F45-I48 PolarHBondContact O-N 3.09Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.01Å; I48-V51 PolarHBondContact O-N 3.05Å; I48-I52 HydrophobicContact CG2-CD1 3.62Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 2.86Å |
| 49 | V | 89.2 | Confident | 79.1 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | F45 V51 I52 F53 | F45-V49 HydrophobicContact CD1-CG2 3.94Å; F45-V49 HydrophobicContact CE1-CG2 3.53Å; F45-V49 HydrophobicContact CE2-CG2 4.31Å; F45-V49 HydrophobicContact CG-CG2 4.49Å; F45-V49 HydrophobicContact CZ-CG2 3.74Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.38Å; V49-V51 PolarHBondContact O-N 3.43Å; V49-I52 PolarHBondContact O-N 3.47Å; V49-F53 VanDerWaalsContact O-CB 3.27Å; V49-F53 WeakPolarHBondContact O-CB 3.32Å; V49-F53 PolarHBondContact O-N 2.92Å |
| 50 | K | 89.8 | Confident | 80.3 | Confident | 157 Ų | 157 | 108.8 Ų | 108.8 | 68% | 0.683 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -40.7 | 178.4 | -170.7 | 174.8 | -176.7 | 174.6 | 0 | 112.5 | A46 L47 I48 K54 | A46-K50 VanDerWaalsContact O-CB 3.28Å; A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3.39Å; L47-K50 PolarHBondContact O-N 3.18Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.01Å; K50-K54 WeakPolarHBondContact O-CB 3.37Å; K50-K54 PolarHBondContact O-N 3.22Å |
| 51 | V | 90.2 | Very high | 81 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.9 | -48 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L47 I48 V49 F53 K54 V55 | L47-V51 VanDerWaalsContact O-CG2 3.31Å; L47-V51 WeakPolarHBondContact O-CG2 3.35Å; L47-V51 PolarHBondContact O-N 3.4Å; I48-V51 PolarHBondContact O-N 3.05Å; V49-V51 PolarHBondContact O-N 3.43Å; V51-F53 PolarHBondContact O-N 3.47Å; V51-K54 PolarHBondContact O-N 2.92Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.38Å |
| 52 | I | 92.5 | Very high | 81.2 | Confident | 90 Ų | 90 | 108.4 Ų | 108.4 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 177.7 | -68.3 | 169 | 0 | 0 | 0 | 110.2 | I48 V49 K54 V55 I56 | I48-I52 HydrophobicContact CG2-CD1 3.62Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.38Å; I48-I52 PolarHBondContact O-N 2.86Å; V49-I52 PolarHBondContact O-N 3.47Å; I52-K54 PolarHBondContact O-N 3.41Å; I52-V55 PolarHBondContact O-N 3.28Å; I52-I56 HydrophobicContact CG2-CD1 3.57Å; I52-I56 HydrophobicContact CG2-CG1 4.3Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.3Å; I52-I56 PolarHBondContact O-N 3.27Å |
| 53 | F | 91.5 | Very high | 81.2 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 61% | 0.605 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.8 | -46.1 | 177.8 | -176.9 | -98.4 | 0 | 0 | 0 | 112 | V49 V51 V55 I56 V57 | V49-F53 VanDerWaalsContact O-CB 3.27Å; V49-F53 WeakPolarHBondContact O-CB 3.32Å; V49-F53 PolarHBondContact O-N 2.92Å; V51-F53 PolarHBondContact O-N 3.47Å; F53-V55 VanDerWaalsContact C-N 3.33Å; F53-V55 PolarHBondContact O-N 2.99Å; F53-I56 PolarHBondContact O-N 3.03Å; F53-V57 HydrophobicContact CD1-CG2 4Å; F53-V57 HydrophobicContact CD2-CG2 4.42Å; F53-V57 HydrophobicContact CE1-CG2 3.6Å; F53-V57 HydrophobicContact CE2-CG2 4.06Å; F53-V57 HydrophobicContact CG-CG2 4.4Å; F53-V57 HydrophobicContact CZ-CG2 3.64Å; F53-V57 WeakPolarHBondContact O-CB 3.38Å; F53-V57 WeakPolarHBondContact O-CG2 3.37Å; F53-V57 PolarHBondContact O-N 3.06Å |
| 54 | K | 88.8 | Confident | 80.5 | Confident | 160 Ų | 160 | 117.6 Ų | 117.6 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.1 | -40 | 177.8 | -173.4 | 176 | -178.7 | 177.7 | 0 | 112.4 | K50 V51 I52 K58 | K50-K54 WeakPolarHBondContact O-CB 3.37Å; K50-K54 PolarHBondContact O-N 3.22Å; V51-K54 PolarHBondContact O-N 2.92Å; I52-K54 PolarHBondContact O-N 3.41Å; K54-K58 VanDerWaalsContact O-CB 3.32Å; K54-K58 WeakPolarHBondContact O-CB 3.41Å; K54-K58 PolarHBondContact O-N 3.5Å |
| 55 | V | 88.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 120.2 Ų | 120.2 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.7 | -44 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V51 I52 F53 K58 R59 | V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.38Å; I52-V55 PolarHBondContact O-N 3.28Å; F53-V55 VanDerWaalsContact C-N 3.33Å; F53-V55 PolarHBondContact O-N 2.99Å; V55-K58 PolarHBondContact O-N 2.9Å; V55-R59 WeakPolarHBondContact O-CG 3.27Å; V55-R59 PolarHBondContact O-N 3.45Å |
| 56 | I | 88 | Confident | 77.5 | Confident | 80 Ų | 80 | 117.3 Ų | 117.3 | 41% | 0.41 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -49.6 | 178 | -68.9 | 170.8 | 0 | 0 | 0 | 110.4 | I52 F53 K58 R59 I60 | I52-I56 HydrophobicContact CG2-CD1 3.57Å; I52-I56 HydrophobicContact CG2-CG1 4.3Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.3Å; I52-I56 PolarHBondContact O-N 3.27Å; F53-I56 PolarHBondContact O-N 3.03Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.44Å; I56-R59 PolarHBondContact O-N 3.12Å; I56-I60 HydrophobicContact CG2-CD1 3.36Å; I56-I60 HydrophobicContact CG2-CG1 4.04Å; I56-I60 WeakPolarHBondContact O-CB 3.21Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 2.76Å |
| 57 | V | 84.6 | Confident | 75.8 | Confident | 61 Ų | 61 | 119.4 Ų | 119.4 | 37% | 0.37 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.4 | -41.1 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | F53 R59 T61 | F53-V57 HydrophobicContact CD1-CG2 4Å; F53-V57 HydrophobicContact CD2-CG2 4.42Å; F53-V57 HydrophobicContact CE1-CG2 3.6Å; F53-V57 HydrophobicContact CE2-CG2 4.06Å; F53-V57 HydrophobicContact CG-CG2 4.4Å; F53-V57 HydrophobicContact CZ-CG2 3.64Å; F53-V57 WeakPolarHBondContact O-CB 3.38Å; F53-V57 WeakPolarHBondContact O-CG2 3.37Å; F53-V57 PolarHBondContact O-N 3.06Å; V57-R59 VanDerWaalsContact C-N 3.29Å; V57-R59 PolarHBondContact O-N 3.19Å; V57-T61 VanDerWaalsContact O-CB 3.25Å; V57-T61 WeakPolarHBondContact O-CB 3.41Å; V57-T61 PolarHBondContact O-N 3.39Å; V57-T61 PolarHBondContact O-OG1 2.93Å |
| 58 | K | 79.7 | Confident | 73.9 | Confident | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67 | -28.5 | 177.1 | -170.3 | 176 | 178.6 | -178.9 | 0 | 112.9 | K54 V55 I56 | K54-K58 VanDerWaalsContact O-CB 3.32Å; K54-K58 WeakPolarHBondContact O-CB 3.41Å; K54-K58 PolarHBondContact O-N 3.5Å; V55-K58 PolarHBondContact O-N 2.9Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 3.44Å |
| 59 | R | 80.9 | Confident | 72 | Confident | 208 Ų | 208 | 119.9 Ų | 119.9 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -83.6 | -38.8 | 176.2 | -74.1 | -176 | 179.1 | -170.6 | 0.6 | 112.8 | V55 I56 V57 | V55-R59 WeakPolarHBondContact O-CG 3.27Å; V55-R59 PolarHBondContact O-N 3.45Å; I56-R59 PolarHBondContact O-N 3.12Å; V57-R59 VanDerWaalsContact C-N 3.29Å; V57-R59 PolarHBondContact O-N 3.19Å |
| 60 | I | 78.8 | Confident | 70.3 | Confident | 125 Ų | 125 | 121.6 Ų | 121.6 | 64% | 0.641 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.6 | -26.8 | -178.6 | -65.1 | 179.2 | 0 | 0 | 0 | 111.6 | I56 P62 | I56-I60 HydrophobicContact CG2-CD1 3.36Å; I56-I60 HydrophobicContact CG2-CG1 4.04Å; I56-I60 WeakPolarHBondContact O-CB 3.21Å; I56-I60 WeakPolarHBondContact O-CG1 3.31Å; I56-I60 PolarHBondContact O-N 2.76Å; I60-P62 VanDerWaalsContact C-CD 3.47Å; I60-P62 WeakPolarHBondContact O-CD 3.28Å |
| 61 | T | 67.9 | Low | 68.7 | Low | 80 Ų | 80 | 122.4 Ų | 122.4 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -84.8 | 91.5 | 169.2 | -46.5 | 0 | 0 | 0 | 0 | 107.5 | V57 S63 | V57-T61 VanDerWaalsContact O-CB 3.25Å; V57-T61 WeakPolarHBondContact O-CB 3.41Å; V57-T61 PolarHBondContact O-N 3.39Å; V57-T61 PolarHBondContact O-OG1 2.93Å; T61-S63 PolarHBondContact O-N 2.94Å |
| 62 | P | 56.6 | Low | 66.9 | Low | 92 Ų | 92 | 123.4 Ų | 123.4 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | | | trans | -55.4 | 135.3 | 165.5 | 27.2 | -34.5 | 0 | 0 | 0 | 106.5 | I60 R64 | I60-P62 VanDerWaalsContact C-CD 3.47Å; I60-P62 WeakPolarHBondContact O-CD 3.28Å; P62-R64 PolarHBondContact O-N 3.3Å |
| 63 | S | 56.6 | Low | 64.6 | Low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | | | trans | -49.5 | 82.4 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | T61 F65 | T61-S63 PolarHBondContact O-N 2.94Å; S63-F65 VanDerWaalsContact C-N 3.32Å |
| 64 | R | 49.4 | Very low | 62.5 | Low | 226 Ų | 226 | 123.4 Ų | 123.4 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | | | trans | -95.5 | 8.3 | 162.6 | -84.4 | -156.4 | -172.2 | -172.9 | 5 | 111.9 | P62 | P62-R64 PolarHBondContact O-N 3.3Š|
| 65 | F | 50.8 | Low | 60.4 | Low | 199 Ų | 199 | 120.6 Ų | 120.6 | 87% | 0.873 | 68% | 0.679 | S | S | * | * | | | trans | -110.1 | 61.6 | 157.3 | -68.5 | -76.2 | 0 | 0 | 0 | 108.6 | S63 S67 | S63-F65 VanDerWaalsContact C-N 3.32Å; F65-S67 PolarHBondContact O-N 3.05Å |
| 66 | S | 44.2 | Very low | 58.5 | Low | 87 Ų | 87 | 123.6 Ų | 123.6 | 61% | 0.608 | 70% | 0.697 | S | S | * | * | | | trans | -58.9 | 125 | 155.2 | -60.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 67 | S | 48.5 | Very low | 56.5 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | | | trans | 54.8 | 77.7 | 156.6 | 63.3 | 0 | 0 | 0 | 0 | 117.4 | F65 S69 | F65-S67 PolarHBondContact O-N 3.05Å; S67-S69 VanDerWaalsContact C-N 3.28Å; S67-S69 PolarHBondContact O-N 2.79Å |
| 68 | S | 46.6 | Very low | 54.8 | Low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | | | trans | -82.1 | 92.7 | 132.5 | 56.1 | 0 | 0 | 0 | 0 | 106 | | |
| 69 | S | 49.8 | Very low | 53.6 | Low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -42.6 | 138.8 | 171.8 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | S67 L71 | S67-S69 VanDerWaalsContact C-N 3.28Å; S67-S69 PolarHBondContact O-N 2.79Å; S69-L71 PolarHBondContact O-N 3.08Å |
| 70 | P | 53.1 | Low | 52.1 | Low | 106 Ų | 106 | 129.3 Ų | 129.3 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | | | trans | -56.8 | 121.4 | 170.2 | 25.1 | -31.1 | 0 | 0 | 0 | 107.1 | T72 | P70-T72 HydrophobicContact CB-CG2 4.43Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 2.88Å |
| 71 | L | 55.6 | Low | 51 | Low | 175 Ų | 175 | 128.5 Ų | 128.5 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | | | trans | -65.1 | 83.7 | 163.7 | -72.2 | 168.8 | 0 | 0 | 0 | 106.1 | S69 S73 | S69-L71 PolarHBondContact O-N 3.08Å; L71-S73 PolarHBondContact O-N 3.3Å |
| 72 | T | 53 | Low | 50.6 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | -65.2 | 103.6 | 165.7 | 52.7 | 0 | 0 | 0 | 0 | 105.6 | P70 S74 | P70-T72 HydrophobicContact CB-CG2 4.43Å; P70-T72 HydrophobicContact CG-CG2 4.4Å; P70-T72 PolarHBondContact O-N 2.88Å; T72-S74 PolarHBondContact O-N 3.24Å |
| 73 | S | 43.9 | Very low | 50.7 | Low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | -58.3 | 84.2 | 161.7 | -71.6 | 0 | 0 | 0 | 0 | 108.6 | L71 S75 | L71-S73 PolarHBondContact O-N 3.3Å; S73-S75 PolarHBondContact O-N 3.34Å |
| 74 | S | 47.8 | Very low | 50.3 | Low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -80.8 | 100.1 | 163.5 | 61.3 | 0 | 0 | 0 | 0 | 107.2 | T72 | T72-S74 PolarHBondContact O-N 3.24Š|
| 75 | S | 44.6 | Very low | 50.3 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -52.7 | 135 | 165.6 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | S73 | S73-S75 PolarHBondContact O-N 3.34Š|
| 76 | T | 48.1 | Very low | 50.3 | Low | 131 Ų | 131 | 125.3 Ų | 125.3 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 79.1 | 148.1 | 160.1 | 74.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 77 | P | 45.7 | Very low | 50.5 | Low | 103 Ų | 103 | 126.5 Ų | 126.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -121.9 | 155.4 | 2 | 37.5 | -21.2 | 0 | 0 | 0 | 114.8 | I79 | P77-I79 PolarHBondContact O-N 2.85Å; P77-I79 VanDerWaalsContact O-N 3.08Å |
| 78 | F | 49.1 | Very low | 50.5 | Low | 215 Ų | 215 | 132.4 Ų | 132.4 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | | | trans | -59.5 | 107 | 171.1 | -74.4 | -98.7 | 0 | 0 | 0 | 110.9 | | |
| 79 | I | 54.4 | Low | 50.9 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -132.6 | 99.7 | 160.2 | -57.7 | -178.7 | 0 | 0 | 0 | 107.6 | P77 S81 | P77-I79 PolarHBondContact O-N 2.85Å; P77-I79 VanDerWaalsContact O-N 3.08Å; I79-S81 PolarHBondContact O-N 3.03Å; I79-S81 VanDerWaalsContact O-N 3.12Å |
| 80 | Q | 50.5 | Low | 51.4 | Low | 190 Ų | 190 | 131.9 Ų | 131.9 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | -73.1 | 93.7 | 175.6 | -176.6 | 176.6 | -42.1 | 0 | 0 | 108.6 | S82 | Q80-S82 PolarHBondContact O-N 3.21Š|
| 81 | S | 54.7 | Low | 51.5 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -80.7 | 111.9 | 169.2 | -52.9 | 0 | 0 | 0 | 0 | 109.1 | I79 | I79-S81 PolarHBondContact O-N 3.03Å; I79-S81 VanDerWaalsContact O-N 3.12Å |
| 82 | S | 60.5 | Low | 51.5 | Low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -49.8 | 144.7 | 179.2 | -47.1 | 0 | 0 | 0 | 0 | 113.1 | Q80 S84 | Q80-S82 PolarHBondContact O-N 3.21Å; S82-S84 PolarHBondContact O-N 2.9Å |
| 83 | P | 57.4 | Low | 51.5 | Low | 127 Ų | 127 | 131.7 Ų | 131.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -70 | 107.7 | 172.1 | 29.1 | -30.7 | 0 | 0 | 0 | 108.6 | S85 | P83-S85 PolarHBondContact O-N 2.85Å; P83-S85 VanDerWaalsContact O-N 3.09Å |
| 84 | S | 49.8 | Very low | 51.8 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -67.9 | 106.4 | 168.5 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | S82 K86 | S82-S84 PolarHBondContact O-N 2.9Å; S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 3.07Å |
| 85 | S | 47.5 | Very low | 52.2 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -61.7 | 89.5 | 167.2 | 33.2 | 0 | 0 | 0 | 0 | 109.8 | P83 S87 | P83-S85 PolarHBondContact O-N 2.85Å; P83-S85 VanDerWaalsContact O-N 3.09Å; S85-S87 PolarHBondContact O-N 2.76Å |
| 86 | K | 52.8 | Low | 52.4 | Low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -81.4 | 98.7 | 166.2 | -86.2 | 177.9 | 177.1 | 178 | 0 | 109.2 | S84 Y88 | S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 3.07Å; K86-Y88 PolarHBondContact O-N 2.75Å |
| 87 | S | 46.5 | Very low | 52.4 | Low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -45.5 | 117.9 | 166.2 | -162.7 | 0 | 0 | 0 | 0 | 110.8 | S85 S89 | S85-S87 PolarHBondContact O-N 2.76Å; S87-S89 PolarHBondContact O-N 3.02Å |
| 88 | Y | 50.1 | Low | 52.6 | Low | 224 Ų | 224 | 132.1 Ų | 132.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -89.8 | 92.8 | 172.8 | -144 | -89 | 0 | 0 | 0 | 107.4 | K86 P90 | K86-Y88 PolarHBondContact O-N 2.75Å; Y88-P90 WeakPolarHBondContact O-CD 3.3Å |
| 89 | S | 53.5 | Low | 52.9 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | -70.4 | 121.2 | 166.6 | -76.3 | 0 | 0 | 0 | 0 | 108.5 | S87 A91 | S87-S89 PolarHBondContact O-N 3.02Å; S89-A91 PolarHBondContact O-N 3.3Å |
| 90 | P | 61.7 | Low | 52.7 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | -68.1 | 126.5 | 172.4 | 27.3 | -30.5 | 0 | 0 | 0 | 108.7 | Y88 I92 | Y88-P90 WeakPolarHBondContact O-CD 3.3Å; P90-I92 VanDerWaalsContact C-N 3.33Å; P90-I92 PolarHBondContact O-N 3.03Å |
| 91 | A | 54.3 | Low | 53 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -64.8 | 96.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | S89 N93 | S89-A91 PolarHBondContact O-N 3.3Å; A91-N93 PolarHBondContact O-N 3.36Å |
| 92 | I | 55.6 | Low | 52.9 | Low | 142 Ų | 142 | 128.1 Ų | 128.1 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | | | trans | -73 | 109.6 | 168.5 | -52.3 | 173.9 | 0 | 0 | 0 | 105.3 | P90 S94 | P90-I92 VanDerWaalsContact C-N 3.33Å; P90-I92 PolarHBondContact O-N 3.03Å; I92-S94 PolarHBondContact O-N 3.35Å |
| 93 | N | 52.9 | Low | 52.7 | Low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -55.1 | 102.8 | 169.4 | -78.2 | -28.3 | 0 | 0 | 0 | 109.1 | A91 P95 | A91-N93 PolarHBondContact O-N 3.36Å; N93-P95 VanDerWaalsContact O-CD 3.31Å; N93-P95 WeakPolarHBondContact O-CD 3.33Å |
| 94 | S | 50.6 | Low | 52.7 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -66.3 | 120.2 | 171.2 | -49.9 | 0 | 0 | 0 | 0 | 109.8 | I92 S96 | I92-S94 PolarHBondContact O-N 3.35Å; S94-S96 PolarHBondContact O-N 3.48Å; S94-S96 VanDerWaalsContact O-N 3.15Å |
| 95 | P | 56.7 | Low | 53 | Low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -73.5 | 103.9 | 161.2 | 27.8 | -28.9 | 0 | 0 | 0 | 108.6 | N93 S97 | N93-P95 VanDerWaalsContact O-CD 3.31Å; N93-P95 WeakPolarHBondContact O-CD 3.33Å; P95-S97 VanDerWaalsContact C-N 3.33Å; P95-S97 PolarHBondContact O-N 2.85Å |
| 96 | S | 47.6 | Very low | 53.2 | Low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -69.4 | 89.8 | 164.2 | 61 | 0 | 0 | 0 | 0 | 109.2 | S94 | S94-S96 PolarHBondContact O-N 3.48Å; S94-S96 VanDerWaalsContact O-N 3.15Å |
| 97 | S | 48.7 | Very low | 53.3 | Low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | -124.2 | 54.3 | 172 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | P95 R99 | P95-S97 VanDerWaalsContact C-N 3.33Å; P95-S97 PolarHBondContact O-N 2.85Å; S97-R99 PolarHBondContact O-N 3.22Å |
| 98 | S | 50.7 | Low | 53.6 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -86.5 | 81.1 | 163.3 | -52 | 0 | 0 | 0 | 0 | 108.2 | | |
| 99 | R | 54.6 | Low | 53.8 | Low | 240 Ų | 240 | 136.4 Ų | 136.4 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -121.1 | 90.9 | 165.4 | -153.7 | 169.5 | -178.7 | 177.6 | -0.9 | 109.6 | S97 S101 | S97-R99 PolarHBondContact O-N 3.22Å; R99-S101 PolarHBondContact O-N 3.19Å |
| 100 | S | 51 | Low | 53.9 | Low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -24.7 | 121.8 | 151.2 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 101 | S | 55.9 | Low | 53.4 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -155.6 | 121.5 | 147.8 | -134.3 | 0 | 0 | 0 | 0 | 110.5 | R99 | R99-S101 PolarHBondContact O-N 3.19Š|
| 102 | S | 53.5 | Low | 53.3 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | | | trans | -77.9 | 155.1 | -172.3 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 103 | R | 56.3 | Low | 53.1 | Low | 236 Ų | 236 | 144.8 Ų | 144.8 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | | | trans | 82.2 | 129.6 | 140.2 | -106 | 176.8 | 176 | -173.7 | -3 | 121.3 | | |
| 104 | S | 56.5 | Low | 53.1 | Low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 84% | 0.839 | S | S | * | * | | | trans | 76.8 | 112.5 | 139.8 | 63.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 105 | L | 55.4 | Low | 53.3 | Low | 251 Ų | 251 | 147.8 Ų | 147.8 | 100% | 1.314 | 85% | 0.849 | S | S | * | * | | | | -121.3 | 0 | 126.5 | -77 | 173.1 | 0 | 0 | 0 | 108.1 | | |