| 1 | M | 43.5 | Very low | 61.4 | Low | 247 Ų | 247 | 111.2 Ų | 111.2 | 100% | 1.217 | 75% | 0.75 | S | S | * | * | | | | 0 | 103.4 | 0 | -63.7 | -70.4 | -161.5 | 0 | 0 | 106.6 | | |
| 2 | G | 54.5 | Low | 62 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 148.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | A | 60.8 | Low | 62.9 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56 | 142.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 4 | P | 63.4 | Low | 63.4 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.5 | 178.1 | 25.4 | -32.9 | 0 | 0 | 0 | 110.1 | | |
| 5 | P | 63.3 | Low | 64 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140.8 | 180 | 25.8 | -33.6 | 0 | 0 | 0 | 110.3 | S7 | P5-S7 PolarHBondContact O-N 3.41Š|
| 6 | P | 62.6 | Low | 64.4 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 135.5 | 177.9 | 26.3 | -32.8 | 0 | 0 | 0 | 110.4 | | |
| 7 | S | 67.1 | Low | 65.1 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.4 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | P5 G9 | P5-S7 PolarHBondContact O-N 3.41Å; S7-G9 PolarHBondContact O-N 3.39Å |
| 8 | P | 64 | Low | 65.5 | Low | 137 Ų | 137 | 103.3 Ų | 103.3 | 89% | 0.89 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 125 | 178.6 | -19.5 | 30.6 | 0 | 0 | 0 | 110.9 | | |
| 9 | G | 64 | Low | 65.5 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.5 | 4.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | S7 | S7-G9 PolarHBondContact O-N 3.39Š|
| 10 | L | 64.6 | Low | 65.4 | Low | 88 Ų | 88 | 100.2 Ų | 100.2 | 46% | 0.461 | 66% | 0.659 | S | S | . | * | | | trans | -99.3 | 136.6 | 174.7 | -70.4 | 167 | 0 | 0 | 0 | 111.6 | W14 | L10-W14 HydrophobicContact CD2-CD2 4.4Å; L10-W14 HydrophobicContact CD2-CG 4.06Å |
| 11 | P | 67.9 | Low | 65.5 | Low | 70 Ų | 70 | 101.7 Ų | 101.7 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | | | trans | -64.4 | 145.3 | 175.5 | 26.2 | -32.1 | 0 | 0 | 0 | 110.1 | S13 W14 | P11-S13 PolarHBondContact O-N 3.16Å; P11-W14 HydrophobicContact CG-CB 4.01Å; P11-W14 WeakPolarHBondContact O-CB 3.29Å; P11-W14 PolarHBondContact O-N 3.32Å |
| 12 | P | 67.8 | Low | 66.3 | Low | 119 Ų | 119 | 97.8 Ų | 97.8 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54.4 | -30.4 | -176.9 | -27.1 | 33.9 | 0 | 0 | 0 | 114.3 | W14 A15 A16 | P12-W14 VanDerWaalsContact C-N 3.34Å; P12-W14 PolarHBondContact O-N 2.85Å; P12-A15 PolarHBondContact O-N 3.49Å; P12-A16 PolarHBondContact O-N 3.33Å |
| 13 | S | 73.7 | Confident | 66.3 | Low | 69 Ų | 69 | 98.7 Ų | 98.7 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -33.7 | 177 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | P11 A16 M17 | P11-S13 PolarHBondContact O-N 3.16Å; S13-A16 PolarHBondContact O-N 2.56Å; S13-M17 WeakPolarHBondContact O-CG 3.35Å; S13-M17 PolarHBondContact O-N 3.05Å |
| 14 | W | 70.3 | Confident | 65.8 | Low | 121 Ų | 121 | 99.3 Ų | 99.3 | 46% | 0.458 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.1 | -42.8 | 178.7 | 178.5 | -84.2 | 0 | 0 | 0 | 111.7 | L10 P11 P12 A16 M17 M18 | L10-W14 HydrophobicContact CD2-CD2 4.4Å; L10-W14 HydrophobicContact CD2-CG 4.06Å; P11-W14 HydrophobicContact CG-CB 4.01Å; P11-W14 WeakPolarHBondContact O-CB 3.29Å; P11-W14 PolarHBondContact O-N 3.32Å; P12-W14 VanDerWaalsContact C-N 3.34Å; P12-W14 PolarHBondContact O-N 2.85Å; W14-A16 VanDerWaalsContact C-N 3.26Å; W14-A16 PolarHBondContact O-N 2.71Å; W14-M17 PolarHBondContact O-N 3.4Å; W14-M18 HydrophobicContact CH2-CE 3.94Å; W14-M18 HydrophobicContact CZ2-CE 3.36Å; W14-M18 PolarHBondContact O-N 2.99Å |
| 15 | A | 72.5 | Confident | 65.4 | Low | 59 Ų | 59 | 98.4 Ų | 98.4 | 49% | 0.488 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.6 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P12 M18 A19 | P12-A15 PolarHBondContact O-N 3.49Å; A15-M18 PolarHBondContact O-N 2.94Å; A15-A19 WeakPolarHBondContact O-CB 3.4Å; A15-A19 PolarHBondContact O-N 3.06Å |
| 16 | A | 70.5 | Confident | 64.5 | Low | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.1 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P12 S13 W14 A19 A20 | P12-A16 PolarHBondContact O-N 3.33Å; S13-A16 PolarHBondContact O-N 2.56Å; W14-A16 VanDerWaalsContact C-N 3.26Å; W14-A16 PolarHBondContact O-N 2.71Å; A16-A19 PolarHBondContact O-N 3.09Å; A16-A20 PolarHBondContact O-N 3.34Å |
| 17 | M | 75.8 | Confident | 63.9 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.4 | -43.5 | 175.9 | -72.6 | 177.9 | 176.6 | 0 | 0 | 111.9 | S13 W14 A20 L21 | S13-M17 WeakPolarHBondContact O-CG 3.35Å; S13-M17 PolarHBondContact O-N 3.05Å; W14-M17 PolarHBondContact O-N 3.4Å; M17-A20 PolarHBondContact O-N 3.05Å; M17-L21 WeakPolarHBondContact O-CD1 3.38Å; M17-L21 WeakPolarHBondContact O-CG 3.23Å; M17-L21 PolarHBondContact O-N 3.47Å; M17-L21 VanDerWaalsContact O-N 3.09Å |
| 18 | M | 72.9 | Confident | 63.3 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.9 | -34.9 | 177.8 | -69.6 | -63.4 | 170.8 | 0 | 0 | 112.6 | W14 A15 A20 L21 Y22 | W14-M18 HydrophobicContact CH2-CE 3.94Å; W14-M18 HydrophobicContact CZ2-CE 3.36Å; W14-M18 PolarHBondContact O-N 2.99Å; A15-M18 PolarHBondContact O-N 2.94Å; M18-A20 VanDerWaalsContact C-N 3.3Å; M18-A20 PolarHBondContact O-N 3.25Å; M18-L21 PolarHBondContact O-N 2.98Å; M18-L21 HydrophobicContact SD-CD1 4.05Å; M18-Y22 PolarHBondContact O-N 3.41Å |
| 19 | A | 65 | Low | 62.3 | Low | 67 Ų | 67 | 98.4 Ų | 98.4 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.9 | -30.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 A16 Y22 | A15-A19 WeakPolarHBondContact O-CB 3.4Å; A15-A19 PolarHBondContact O-N 3.06Å; A16-A19 PolarHBondContact O-N 3.09Å; A19-Y22 CarbonylContact O-C 3.43Å |
| 20 | A | 63.9 | Low | 61.6 | Low | 77 Ų | 77 | 101.1 Ų | 101.1 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.1 | -29.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A16 M17 M18 | A16-A20 PolarHBondContact O-N 3.34Å; M17-A20 PolarHBondContact O-N 3.05Å; M18-A20 VanDerWaalsContact C-N 3.3Å; M18-A20 PolarHBondContact O-N 3.25Å |
| 21 | L | 67.9 | Low | 60.9 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.3 | -25 | 176.6 | -73.4 | 158.6 | 0 | 0 | 0 | 112.7 | M17 M18 P23 | M17-L21 WeakPolarHBondContact O-CD1 3.38Å; M17-L21 WeakPolarHBondContact O-CG 3.23Å; M17-L21 PolarHBondContact O-N 3.47Å; M17-L21 VanDerWaalsContact O-N 3.09Å; M18-L21 PolarHBondContact O-N 2.98Å; M18-L21 HydrophobicContact SD-CD1 4.05Å; L21-P23 VanDerWaalsContact O-CD 3.23Å; L21-P23 WeakPolarHBondContact O-CD 3.35Å |
| 22 | Y | 60.9 | Low | 59.7 | Low | 165 Ų | 165 | 104.5 Ų | 104.5 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -115.1 | 68.2 | 172.6 | -153.8 | -93.6 | 0 | 0 | 0 | 109.6 | M18 A19 S24 | M18-Y22 PolarHBondContact O-N 3.41Å; A19-Y22 CarbonylContact O-C 3.43Å; Y22-S24 PolarHBondContact O-N 3.49Å |
| 23 | P | 54 | Low | 59 | Low | 94 Ų | 94 | 104 Ų | 104 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | | | trans | -58.6 | 118.8 | 170.7 | 26.4 | -29 | 0 | 0 | 0 | 105.7 | L21 T25 | L21-P23 VanDerWaalsContact O-CD 3.23Å; L21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-T25 PolarHBondContact O-N 2.99Å |
| 24 | S | 50.3 | Low | 57.7 | Low | 108 Ų | 108 | 106.1 Ų | 106.1 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | | | trans | -35.3 | 118.7 | -176.6 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | Y22 D26 | Y22-S24 PolarHBondContact O-N 3.49Å; S24-D26 PolarHBondContact O-N 3.04Å |
| 25 | T | 55.3 | Low | 57.2 | Low | 95 Ų | 95 | 108 Ų | 108 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | | | trans | -67.8 | 73.6 | 171.7 | -49.4 | 0 | 0 | 0 | 0 | 107.7 | P23 L27 | P23-T25 PolarHBondContact O-N 2.99Å; T25-L27 VanDerWaalsContact C-N 3.3Å; T25-L27 HydrophobicContact CG2-CD1 4.45Å; T25-L27 HydrophobicContact CG2-CG 4.16Å; T25-L27 PolarHBondContact O-N 3.2Å; T25-L27 VanDerWaalsContact O-N 3.16Å |
| 26 | D | 43.5 | Very low | 56 | Low | 117 Ų | 117 | 111.1 Ų | 111.1 | 63% | 0.626 | 70% | 0.695 | S | S | * | * | | | trans | -78 | 93.3 | 162.4 | -161.7 | -94 | 0 | 0 | 0 | 105.9 | S24 S28 | S24-D26 PolarHBondContact O-N 3.04Å; D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.35Å; D26-S28 PolarHBondContact OD1-N 3.38Å; D26-S28 PolarHBondContact OD1-OG 3.3Å |
| 27 | L | 50.4 | Low | 54.6 | Low | 167 Ų | 167 | 113.6 Ų | 113.6 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | | | trans | -66.3 | 68.7 | 162.3 | -82.5 | 159.8 | 0 | 0 | 0 | 108.4 | T25 | T25-L27 VanDerWaalsContact C-N 3.3Å; T25-L27 HydrophobicContact CG2-CD1 4.45Å; T25-L27 HydrophobicContact CG2-CG 4.16Å; T25-L27 PolarHBondContact O-N 3.2Å; T25-L27 VanDerWaalsContact O-N 3.16Å |
| 28 | S | 53.2 | Low | 53.3 | Low | 88 Ų | 88 | 113.1 Ų | 113.1 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | | | trans | -153.8 | 123.8 | 161.1 | 83.8 | 0 | 0 | 0 | 0 | 110.8 | D26 | D26-S28 PolarHBondContact O-N 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.35Å; D26-S28 PolarHBondContact OD1-N 3.38Å; D26-S28 PolarHBondContact OD1-OG 3.3Å |
| 29 | G | 44 | Very low | 52.1 | Low | 81 Ų | 81 | 115 Ų | 115 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | trans | 101.1 | 97.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 30 | V | 49 | Very low | 51 | Low | 138 Ų | 138 | 117.4 Ų | 117.4 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | trans | -54.1 | 146.4 | 165 | 167.6 | 0 | 0 | 0 | 0 | 112 | | |
| 31 | S | 49.9 | Very low | 50.4 | Low | 103 Ų | 103 | 119.5 Ų | 119.5 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | trans | 79.4 | 110 | 158.4 | -67.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 32 | S | 42.2 | Very low | 49.3 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | | -158 | 114.6 | 112.8 | -80 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | S | 53.3 | Low | 48.9 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -50.3 | 126.9 | 169.2 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 34 | S | 47.2 | Very low | 48.4 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -163.2 | 82.8 | 141.6 | -78.3 | 0 | 0 | 0 | 0 | 108.4 | P36 | S34-P36 WeakPolarHBondContact O-CD 3.33Š|
| 35 | L | 60 | Low | 48.2 | Very low | 161 Ų | 161 | 118 Ų | 118 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -60.7 | 121.5 | 161.1 | -68.1 | 161 | 0 | 0 | 0 | 107.5 | S37 | L35-S37 PolarHBondContact O-N 3.47Š|
| 36 | P | 47.4 | Very low | 47.6 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -67.6 | 126.3 | 160.9 | 27.8 | -28.3 | 0 | 0 | 0 | 107.6 | S34 | S34-P36 WeakPolarHBondContact O-CD 3.33Š|
| 37 | S | 40 | Very low | 47.9 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -44.6 | 135.4 | -171.9 | -49 | 0 | 0 | 0 | 0 | 114.4 | L35 | L35-S37 PolarHBondContact O-N 3.47Š|
| 38 | S | 48.2 | Very low | 47.8 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -53.5 | 130.5 | 162.8 | -49 | 0 | 0 | 0 | 0 | 110.9 | S40 | S38-S40 PolarHBondContact O-N 3.26Š|
| 39 | P | 47.5 | Very low | 47.8 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -74.6 | 121.9 | 151.3 | 27.4 | -23.2 | 0 | 0 | 0 | 107.9 | | |
| 40 | S | 42.8 | Very low | 47.8 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -43.7 | 140.1 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 113.7 | S38 S42 | S38-S40 PolarHBondContact O-N 3.26Å; S40-S42 PolarHBondContact O-N 2.87Å |
| 41 | S | 51.8 | Low | 48 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -34.3 | 121.9 | 165.5 | 171.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 42 | S | 45.3 | Very low | 47.6 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -139.1 | 113.9 | 141.7 | -174.1 | 0 | 0 | 0 | 0 | 109 | S40 | S40-S42 PolarHBondContact O-N 2.87Š|
| 43 | S | 51.8 | Low | 47.6 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -44.7 | 125.6 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 44 | P | 44.2 | Very low | 47.2 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -108.2 | 75.2 | 164.8 | 35.8 | -22.3 | 0 | 0 | 0 | 108.3 | | |
| 45 | N | 45.8 | Very low | 47.3 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -125.6 | 80.9 | 160.1 | -167.7 | 78.4 | 0 | 0 | 0 | 108.7 | | |
| 46 | E | 42.7 | Very low | 46.3 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -179.1 | 101.7 | 130.1 | -95.3 | 176.4 | 166.5 | 0 | 0 | 111.5 | | |
| 47 | V | 48.3 | Very low | 46.3 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 48.9 | 87.1 | 144.1 | -58.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 48 | M | 50.1 | Low | 46.9 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 95% | 0.946 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -125.9 | 97.4 | 136.3 | -81.8 | -169.8 | -78.4 | 0 | 0 | 109.7 | | |
| 49 | A | 52.8 | Low | 46.7 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | 46 | 102.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | K51 | A49-K51 PolarHBondContact O-N 3.44Š|
| 50 | L | 42.9 | Very low | 46.8 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | 13.4 | 98.8 | 140.4 | -78.9 | 150.2 | 0 | 0 | 0 | 115.8 | D52 | L50-D52 HydrophobicContact CD2-CB 3.87Å; L50-D52 VanDerWaalsContact CD2-OD2 3.29Å; L50-D52 WeakPolarHBondContact CD2-OD2 3.36Å |
| 51 | K | 53.2 | Low | 47.2 | Very low | 214 Ų | 214 | 144 Ų | 144 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | | | trans | -117.2 | 53.5 | 154.6 | -146.1 | 154.4 | 166.1 | -172.4 | 0 | 107.8 | A49 | A49-K51 PolarHBondContact O-N 3.44Š|
| 52 | D | 42.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 60% | 0.599 | 76% | 0.761 | S | S | * | * | | | trans | -58.1 | 149.7 | 173.4 | -119.6 | -117.3 | 0 | 0 | 0 | 108.8 | L50 | L50-D52 HydrophobicContact CD2-CB 3.87Å; L50-D52 VanDerWaalsContact CD2-OD2 3.29Å; L50-D52 WeakPolarHBondContact CD2-OD2 3.36Å |
| 53 | V | 42.2 | Very low | 47.5 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 53% | 0.527 | 75% | 0.747 | S | S | . | * | | | cis | 173.4 | 153.5 | -7.9 | 126.8 | 0 | 0 | 0 | 0 | 102.5 | | |
| 54 | R | 45.3 | Very low | 47.5 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | 75.9 | 107.8 | 165.5 | -36.3 | -177.8 | -73.9 | -148.2 | 8.6 | 115.1 | V56 | R54-V56 VanDerWaalsContact C-N 3.28Å; R54-V56 HydrophobicContact CB-CG2 3.79Å; R54-V56 PolarHBondContact O-N 2.95Å |
| 55 | E | 48.7 | Very low | 47.9 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 95% | 0.949 | 73% | 0.732 | S | S | * | * | | | | -6.4 | 90.6 | 110 | -166.8 | -179 | 144.5 | 0 | 0 | 112.9 | | |
| 56 | V | 38.7 | Very low | 48.4 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | | | trans | -125.5 | 100.7 | 163.7 | 178.7 | 0 | 0 | 0 | 0 | 105.4 | R54 E58 | R54-V56 VanDerWaalsContact C-N 3.28Å; R54-V56 HydrophobicContact CB-CG2 3.79Å; R54-V56 PolarHBondContact O-N 2.95Å; V56-E58 PolarHBondContact O-N 3.49Å |
| 57 | K | 47.3 | Very low | 48.8 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | | | trans | 17.7 | 99 | 153.3 | -165.6 | 121.3 | 72.9 | 170.6 | 0 | 114.5 | | |
| 58 | E | 52.4 | Low | 49 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -11.7 | 134.3 | 138.7 | -163.6 | 168.9 | 179.1 | 0 | 0 | 114.2 | V56 | V56-E58 PolarHBondContact O-N 3.49Š|
| 59 | E | 44.4 | Very low | 49.2 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 92.8 | 109.2 | 174.1 | -146.1 | 174.1 | 105.9 | 0 | 0 | 115.5 | | |
| 60 | N | 49.7 | Very low | 49.2 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 103.4 | 22 | 163.3 | -151.8 | 14.8 | 0 | 0 | 0 | 120.9 | | |
| 61 | T | 50.9 | Low | 49.5 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | | | trans | -129.3 | 8.9 | 170.2 | -28.4 | 0 | 0 | 0 | 0 | 114.1 | N63 | T61-N63 VanDerWaalsContact C-N 3.33Š|
| 62 | L | 50.6 | Low | 49.1 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 70% | 0.696 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.1 | -22.1 | 176.8 | -123.8 | 154.9 | 0 | 0 | 0 | 111.9 | L66 | L62-L66 HydrophobicContact CD2-CD1 3.44Å; L62-L66 VanDerWaalsContact CD2-CD1 3.44Å; L62-L66 HydrophobicContact CD2-CG 3.88Å; L62-L66 VanDerWaalsContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 VanDerWaalsContact O-CG 3.24Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 3.48Å |
| 63 | N | 53.3 | Low | 49.4 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.5 | -41.6 | -177.7 | 85.8 | 76.7 | 0 | 0 | 0 | 112.4 | T61 F67 | T61-N63 VanDerWaalsContact C-N 3.33Å; N63-F67 VanDerWaalsContact O-CB 3.32Å; N63-F67 WeakPolarHBondContact O-CB 3.32Å; N63-F67 PolarHBondContact O-N 3.46Å |
| 64 | E | 52.4 | Low | 49.7 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.6 | -37.1 | -173.5 | -59.9 | 174.7 | 113.7 | 0 | 0 | 111.6 | F67 L68 | E64-F67 PolarHBondContact O-N 2.93Å; E64-L68 WeakPolarHBondContact O-CB 3.15Å; E64-L68 WeakPolarHBondContact O-CD1 3.34Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.29Å; E64-L68 PolarHBondContact O-N 3.03Å |
| 65 | K | 52.2 | Low | 49.8 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 67% | 0.674 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.9 | -33 | 175.9 | -75.6 | -175.3 | 175.5 | -176.4 | 0 | 113 | L69 | K65-L69 WeakPolarHBondContact O-CB 3.44Å; K65-L69 PolarHBondContact O-N 3.29Å |
| 66 | L | 56.2 | Low | 49.6 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.8 | -35 | 171.7 | -77.2 | 171.3 | 0 | 0 | 0 | 111.7 | L62 L69 A70 | L62-L66 HydrophobicContact CD2-CD1 3.44Å; L62-L66 VanDerWaalsContact CD2-CD1 3.44Å; L62-L66 HydrophobicContact CD2-CG 3.88Å; L62-L66 VanDerWaalsContact O-CB 3.3Å; L62-L66 WeakPolarHBondContact O-CB 3.36Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 VanDerWaalsContact O-CG 3.24Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 3.48Å; L66-L69 PolarHBondContact O-N 2.96Å; L66-A70 WeakPolarHBondContact O-CB 3.43Å; L66-A70 PolarHBondContact O-N 2.9Å |
| 67 | F | 50.7 | Low | 50.1 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 47% | 0.474 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.8 | -48.7 | 172.3 | -169.1 | -92.7 | 0 | 0 | 0 | 111.3 | N63 E64 L69 A70 C71 F95 | N63-F67 VanDerWaalsContact O-CB 3.32Å; N63-F67 WeakPolarHBondContact O-CB 3.32Å; N63-F67 PolarHBondContact O-N 3.46Å; E64-F67 PolarHBondContact O-N 2.93Å; F67-L69 PolarHBondContact O-N 3.45Å; F67-A70 PolarHBondContact O-N 3.23Å; F67-C71 PolarHBondContact O-N 3.11Å; F67-C71 VanDerWaalsContact O-N 3.11Å; F67-C71 PolarHBondContact O-SG 3.49Å; F67-F95 HydrophobicContact CE2-CE1 4Å; F67-F95 AromaticContact CE2-CZ 3.96Å; F67-F95 HydrophobicContact CE2-CZ 3.96Å; F67-F95 AromaticContact CZ-CE1 3.71Å; F67-F95 HydrophobicContact CZ-CE1 3.71Å; F67-F95 HydrophobicContact CZ-CZ 4.12Å |
| 68 | L | 52.6 | Low | 49.7 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 60% | 0.602 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.1 | -40.4 | 175.6 | -73.7 | 158.2 | 0 | 0 | 0 | 112.1 | E64 C71 D72 | E64-L68 WeakPolarHBondContact O-CB 3.15Å; E64-L68 WeakPolarHBondContact O-CD1 3.34Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.29Å; E64-L68 PolarHBondContact O-N 3.03Å; L68-C71 WeakPolarHBondContact O-CB 3.33Å; L68-C71 PolarHBondContact O-N 3.32Å; L68-D72 WeakPolarHBondContact O-CB 3.47Å; L68-D72 PolarHBondContact O-N 3.47Å |
| 69 | L | 53.9 | Low | 49.5 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 48% | 0.482 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.1 | -30.8 | 178.3 | -170.2 | 70.3 | 0 | 0 | 0 | 112.7 | K65 L66 F67 D72 K73 | K65-L69 WeakPolarHBondContact O-CB 3.44Å; K65-L69 PolarHBondContact O-N 3.29Å; L66-L69 PolarHBondContact O-N 2.96Å; F67-L69 PolarHBondContact O-N 3.45Å; L69-D72 PolarHBondContact O-N 3.37Å; L69-K73 PolarHBondContact O-N 2.85Å |
| 70 | A | 53.9 | Low | 49.6 | Very low | 33 Ų | 33 | 112.3 Ų | 112.3 | 27% | 0.273 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.1 | -36.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L66 F67 | L66-A70 WeakPolarHBondContact O-CB 3.43Å; L66-A70 PolarHBondContact O-N 2.9Å; F67-A70 PolarHBondContact O-N 3.23Å |
| 71 | C | 48.5 | Very low | 49.7 | Very low | 67 Ų | 67 | 112 Ų | 112 | 45% | 0.453 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.7 | -38 | 171.1 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | F67 L68 K73 | F67-C71 PolarHBondContact O-N 3.11Å; F67-C71 VanDerWaalsContact O-N 3.11Å; F67-C71 PolarHBondContact O-SG 3.49Å; L68-C71 WeakPolarHBondContact O-CB 3.33Å; L68-C71 PolarHBondContact O-N 3.32Å; C71-K73 VanDerWaalsContact C-N 3.27Å; C71-K73 PolarHBondContact O-N 3.2Å |
| 72 | D | 45.2 | Very low | 49.6 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 70% | 0.695 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.3 | -19 | -176.2 | -123.7 | 10.7 | 0 | 0 | 0 | 113.1 | L68 L69 E74 | L68-D72 WeakPolarHBondContact O-CB 3.47Å; L68-D72 PolarHBondContact O-N 3.47Å; L69-D72 PolarHBondContact O-N 3.37Å; D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 3.48Å |
| 73 | K | 49.1 | Very low | 49.5 | Very low | 172 Ų | 172 | 110 Ų | 110 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 10.7 | -179.6 | -119.3 | -168.2 | -177.7 | 76 | 0 | 114.8 | L69 C71 | L69-K73 PolarHBondContact O-N 2.85Å; C71-K73 VanDerWaalsContact C-N 3.27Å; C71-K73 PolarHBondContact O-N 3.2Å |
| 74 | E | 46.9 | Very low | 49.6 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | | | trans | -123.2 | 57.5 | -179.1 | -45.6 | -167.2 | -172.7 | 0 | 0 | 110.9 | D72 Y76 S80 S82 | D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 3.48Å; E74-Y76 PolarHBondContact O-N 2.95Å; E74-S80 PolarHBondContact OE2-OG 2.5Å; E74-S82 VanDerWaalsContact CD-OG 3.25Å; E74-S82 VanDerWaalsContact OE1-CB 3.3Å; E74-S82 WeakPolarHBondContact OE1-CB 3.3Å; E74-S82 PolarHBondContact OE1-OG 3.1Å; E74-S82 PolarHBondContact OE2-OG 3.04Å |
| 75 | T | 48.6 | Very low | 49.1 | Very low | 116 Ų | 116 | 109.1 Ų | 109.1 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | | | trans | -63.4 | 102.5 | 166 | -63.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 76 | Y | 45.1 | Very low | 49 | Very low | 218 Ų | 218 | 106.1 Ų | 106.1 | 86% | 0.855 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 64.4 | 107.8 | 158.5 | -60.6 | -98.2 | 0 | 0 | 0 | 118.4 | E74 | E74-Y76 PolarHBondContact O-N 2.95Š|
| 77 | G | 47.6 | Very low | 48.3 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 92.5 | 69.8 | 130.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 78 | T | 40.4 | Very low | 48.2 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 70% | 0.699 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 168 | 119.3 | 137.8 | 40.7 | 0 | 0 | 0 | 0 | 105.9 | S80 | T78-S80 VanDerWaalsContact C-N 3.32Å; T78-S80 PolarHBondContact O-N 3.3Å |
| 79 | N | 46.6 | Very low | 47.9 | Very low | 164 Ų | 164 | 108.7 Ų | 108.7 | 88% | 0.877 | 58% | 0.582 | S | S | * | * | | | trans | -5.4 | 78.7 | 159.4 | 55.7 | -11.4 | 0 | 0 | 0 | 116 | | |
| 80 | S | 47.8 | Very low | 47.4 | Very low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | | | trans | -89.3 | 115.7 | 177.7 | 28.4 | 0 | 0 | 0 | 0 | 108.3 | E74 T78 S82 | E74-S80 PolarHBondContact OE2-OG 2.5Å; T78-S80 VanDerWaalsContact C-N 3.32Å; T78-S80 PolarHBondContact O-N 3.3Å; S80-S82 VanDerWaalsContact C-N 3.31Å; S80-S82 PolarHBondContact O-N 3.29Å |
| 81 | E | 51.2 | Low | 47.4 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | | | trans | -69.5 | 92.1 | 166.6 | -68.4 | -172.2 | 124.6 | 0 | 0 | 108.7 | R83 Y94 | E81-R83 PolarHBondContact O-N 3.14Å; E81-Y94 HydrophobicContact CG-CE1 4.21Å; E81-Y94 PolarHBondContact OE1-OH 2.96Å |
| 82 | S | 48.5 | Very low | 47.4 | Very low | 20 Ų | 20 | 114.5 Ų | 114.5 | 14% | 0.14 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 105.9 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | E74 S80 I84 | E74-S82 VanDerWaalsContact CD-OG 3.25Å; E74-S82 VanDerWaalsContact OE1-CB 3.3Å; E74-S82 WeakPolarHBondContact OE1-CB 3.3Å; E74-S82 PolarHBondContact OE1-OG 3.1Å; E74-S82 PolarHBondContact OE2-OG 3.04Å; S80-S82 VanDerWaalsContact C-N 3.31Å; S80-S82 PolarHBondContact O-N 3.29Å; S82-I84 PolarHBondContact O-N 3.37Å |
| 83 | R | 49.7 | Very low | 47.6 | Very low | 157 Ų | 157 | 110.4 Ų | 110.4 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 109 | 173 | -76.5 | -169.7 | -142.4 | 153.4 | 5.9 | 109.5 | E81 F85 C90 | E81-R83 PolarHBondContact O-N 3.14Å; R83-F85 HydrophobicContact CB-CE2 4.05Å; R83-F85 HydrophobicContact CB-CZ 4.44Å; R83-C90 VanDerWaalsContact CD-SG 3.54Å |
| 84 | I | 53.6 | Low | 47.4 | Very low | 34 Ų | 34 | 110.6 Ų | 110.6 | 17% | 0.174 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 117 | 174.7 | -56 | 179.7 | 0 | 0 | 0 | 107.7 | S82 R91 C93 F95 | S82-I84 PolarHBondContact O-N 3.37Å; I84-R91 PolarHBondContact N-O 3.13Å; I84-R91 VanDerWaalsContact N-O 3.14Å; I84-R91 PolarHBondContact O-N 2.95Å; I84-C93 HydrophobicContact CD1-CB 4.32Å; I84-F95 HydrophobicContact CD1-CE2 3.81Å; I84-F95 HydrophobicContact CD1-CZ 3.83Å |
| 85 | F | 43.2 | Very low | 47.5 | Very low | 150 Ų | 150 | 111.3 Ų | 111.3 | 66% | 0.658 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.7 | 113.3 | 174.6 | -66.6 | -90.2 | 0 | 0 | 0 | 109.2 | R83 C90 | R83-F85 HydrophobicContact CB-CE2 4.05Å; R83-F85 HydrophobicContact CB-CZ 4.44Å; F85-C90 HydrophobicContact CD1-CB 3.62Å; F85-C90 HydrophobicContact CE1-CB 3.52Å; F85-C90 HydrophobicContact CG-CB 4.48Å; F85-C90 HydrophobicContact CZ-CB 4.3Å |
| 86 | N | 49.3 | Very low | 47 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 49% | 0.492 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 168.5 | 168.7 | -72.2 | -66.5 | 0 | 0 | 0 | 110 | D88 G89 | N86-D88 PolarHBondContact O-N 3.42Å; N86-D88 VanDerWaalsContact O-N 3.1Å; N86-G89 PolarHBondContact N-O 2.76Å; N86-G89 PolarHBondContact O-N 3.3Å |
| 87 | N | 41.8 | Very low | 46.7 | Very low | 171 Ų | 171 | 107 Ų | 107 | 91% | 0.914 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -27.2 | -178.5 | -138.9 | -89.9 | 0 | 0 | 0 | 112.6 | | |
| 88 | D | 49.5 | Very low | 46.3 | Very low | 168 Ų | 168 | 109.3 Ų | 109.3 | 90% | 0.898 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 4.8 | 179 | -50.6 | -55.4 | 0 | 0 | 0 | 114.3 | N86 | N86-D88 PolarHBondContact O-N 3.42Å; N86-D88 VanDerWaalsContact O-N 3.1Å |
| 89 | G | 44.4 | Very low | 46.4 | Very low | 35 Ų | 35 | 112.9 Ų | 112.9 | 36% | 0.361 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 120.6 | 169.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | N86 R91 | N86-G89 PolarHBondContact N-O 2.76Å; N86-G89 PolarHBondContact O-N 3.3Å; G89-R91 PolarHBondContact O-N 3.49Å |
| 90 | C | 45.3 | Very low | 46.3 | Very low | 57 Ų | 57 | 110.3 Ų | 110.3 | 39% | 0.385 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 112.2 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | R83 F85 | R83-C90 VanDerWaalsContact CD-SG 3.54Å; F85-C90 HydrophobicContact CD1-CB 3.62Å; F85-C90 HydrophobicContact CE1-CB 3.52Å; F85-C90 HydrophobicContact CG-CB 4.48Å; F85-C90 HydrophobicContact CZ-CB 4.3Å |
| 91 | R | 53.1 | Low | 46.3 | Very low | 185 Ų | 185 | 112.4 Ų | 112.4 | 70% | 0.698 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.3 | 170.9 | -79.3 | -177.8 | 162.4 | -148.4 | -2.1 | 108.9 | I84 G89 C93 | I84-R91 PolarHBondContact N-O 3.13Å; I84-R91 VanDerWaalsContact N-O 3.14Å; I84-R91 PolarHBondContact O-N 2.95Å; G89-R91 PolarHBondContact O-N 3.49Å; R91-C93 PolarHBondContact O-N 3.26Å |
| 92 | T | 47.8 | Very low | 46 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.4 | 112.8 | 170.4 | -54.1 | 0 | 0 | 0 | 0 | 107.9 | Y94 | T92-Y94 HydrophobicContact CG2-CE2 4.04Å |
| 93 | C | 49.1 | Very low | 45.8 | Very low | 45 Ų | 45 | 117 Ų | 117 | 30% | 0.304 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 108.3 | I84 R91 F95 | I84-C93 HydrophobicContact CD1-CB 4.32Å; R91-C93 PolarHBondContact O-N 3.26Å; C93-F95 HydrophobicContact CB-CD2 4.21Å; C93-F95 HydrophobicContact CB-CE2 3.58Å; C93-F95 HydrophobicContact CB-CZ 3.91Å; C93-F95 PolarHBondContact O-N 2.73Å |
| 94 | Y | 46.1 | Very low | 45.6 | Very low | 175 Ų | 175 | 114.5 Ų | 114.5 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | | | trans | -87.1 | 106.6 | 170.7 | -72 | -81 | 0 | 0 | 0 | 108.4 | E81 T92 | E81-Y94 HydrophobicContact CG-CE1 4.21Å; E81-Y94 PolarHBondContact OE1-OH 2.96Å; T92-Y94 HydrophobicContact CG2-CE2 4.04Å |
| 95 | F | 48.5 | Very low | 45.1 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 43% | 0.434 | 67% | 0.672 | S | S | . | * | | | trans | -87.7 | 109.2 | 173 | -66.4 | -81.7 | 0 | 0 | 0 | 109.1 | F67 I84 C93 | F67-F95 HydrophobicContact CE2-CE1 4Å; F67-F95 AromaticContact CE2-CZ 3.96Å; F67-F95 HydrophobicContact CE2-CZ 3.96Å; F67-F95 AromaticContact CZ-CE1 3.71Å; F67-F95 HydrophobicContact CZ-CE1 3.71Å; F67-F95 HydrophobicContact CZ-CZ 4.12Å; I84-F95 HydrophobicContact CD1-CE2 3.81Å; I84-F95 HydrophobicContact CD1-CZ 3.83Å; C93-F95 HydrophobicContact CB-CD2 4.21Å; C93-F95 HydrophobicContact CB-CE2 3.58Å; C93-F95 HydrophobicContact CB-CZ 3.91Å; C93-F95 PolarHBondContact O-N 2.73Å |
| 96 | S | 38.1 | Very low | 45.2 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | | | trans | -93.8 | 97.1 | 169.2 | -153 | 0 | 0 | 0 | 0 | 107.5 | S98 | S96-S98 PolarHBondContact O-N 2.88Å; S96-S98 VanDerWaalsContact O-N 3.13Å |
| 97 | C | 39.2 | Very low | 44.9 | Very low | 129 Ų | 129 | 119.7 Ų | 119.7 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | | | trans | -70.1 | 103 | 171.5 | -91.9 | 0 | 0 | 0 | 0 | 109 | | |
| 98 | S | 38.3 | Very low | 45.1 | Very low | 118 Ų | 118 | 115.4 Ų | 115.4 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | | | trans | -84.6 | 119.4 | 162.6 | -74 | 0 | 0 | 0 | 0 | 108.4 | S96 | S96-S98 PolarHBondContact O-N 2.88Å; S96-S98 VanDerWaalsContact O-N 3.13Å |
| 99 | S | 42.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 110.6 Ų | 110.6 | 100% | 1.315 | 65% | 0.647 | S | S | * | * | | | trans | -68.8 | 0 | -174.3 | -167 | 0 | 0 | 0 | 0 | 114.3 | | |