| 1 | M | 43.9 | Very low | 41.9 | Very low | 239 Ų | 239 | 158.3 Ų | 158.3 | 100% | 1.177 | 84% | 0.836 | S | S | * | * | | | | 0 | 145 | 0 | -66.7 | -170.1 | 173 | 0 | 0 | 107.7 | | |
| 2 | L | 45.6 | Very low | 42.4 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | | | trans | -9.8 | 125.9 | 176.7 | -82 | 66.5 | 0 | 0 | 0 | 115.1 | | |
| 3 | G | 40.5 | Very low | 42.6 | Very low | 68 Ų | 68 | 158.7 Ų | 158.7 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | | | | 114.2 | 118 | 54.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | I5 | G3-I5 PolarHBondContact O-N 3Š|
| 4 | H | 38.4 | Very low | 42.7 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | | | trans | -35.4 | 117.9 | -177.2 | -56.4 | -51.6 | 0 | 0 | 0 | 115.6 | | |
| 5 | I | 46.7 | Very low | 42.8 | Very low | 171 Ų | 171 | 155.5 Ų | 155.5 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -108.6 | 115.8 | 146.3 | -64.2 | 172.6 | 0 | 0 | 0 | 105.9 | G3 C7 | G3-I5 PolarHBondContact O-N 3Å; I5-C7 PolarHBondContact O-N 3.18Å |
| 6 | F | 42.3 | Very low | 43 | Very low | 175 Ų | 175 | 157 Ų | 157 | 77% | 0.768 | 81% | 0.813 | S | S | * | * | | | trans | -50.2 | 130.3 | -176.1 | -85 | -109.1 | 0 | 0 | 0 | 112 | V8 | F6-V8 VanDerWaalsContact C-N 3.31Å; F6-V8 HydrophobicContact CB-CG2 4.35Å; F6-V8 PolarHBondContact O-N 2.9Å |
| 7 | C | 39.8 | Very low | 43.3 | Very low | 136 Ų | 136 | 160.4 Ų | 160.4 | 92% | 0.919 | 81% | 0.814 | S | S | * | * | | | trans | -58.7 | 94.9 | 152.5 | -84.7 | 0 | 0 | 0 | 0 | 109.1 | I5 | I5-C7 PolarHBondContact O-N 3.18Š|
| 8 | V | 41.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 159.3 Ų | 159.3 | 62% | 0.618 | 82% | 0.817 | S | S | * | * | | | trans | -145.2 | 108.1 | 153.9 | -166.1 | 0 | 0 | 0 | 0 | 106.6 | F6 | F6-V8 VanDerWaalsContact C-N 3.31Å; F6-V8 HydrophobicContact CB-CG2 4.35Å; F6-V8 PolarHBondContact O-N 2.9Å |
| 9 | F | 42.1 | Very low | 44.4 | Very low | 200 Ų | 200 | 163.5 Ų | 163.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | 161.4 | 47.8 | 145 | -87.6 | -69.2 | 0 | 0 | 0 | 109.1 | | |
| 10 | L | 42.2 | Very low | 44.8 | Very low | 167 Ų | 167 | 160.2 Ų | 160.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -100.7 | 97.8 | 151 | -84.2 | 162.6 | 0 | 0 | 0 | 106.3 | | |
| 11 | M | 37.8 | Very low | 45.2 | Very low | 125 Ų | 125 | 158.3 Ų | 158.3 | 62% | 0.616 | 81% | 0.81 | S | S | * | * | | | trans | 179.5 | 94.6 | 137.8 | -100.7 | 162.6 | 107.6 | 0 | 0 | 109.4 | R13 | M11-R13 HydrophobicContact CB-CG 4.32Å; M11-R13 VanDerWaalsContact CE-CD 3.42Å; M11-R13 HydrophobicContact CE-CG 3.76Å; M11-R13 VanDerWaalsContact CE-NE 3.31Å; M11-R13 HydrophobicContact CG-CG 4.21Å; M11-R13 PolarHBondContact O-N 3.13Å |
| 12 | P | 47.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | | | trans | -74.7 | 86 | 156.3 | 31.1 | -27.4 | 0 | 0 | 0 | 106.8 | | |
| 13 | R | 45.6 | Very low | 46.2 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 73% | 0.725 | 79% | 0.789 | S | S | * | * | | | trans | -103.7 | 92.5 | 167.3 | -74 | -142.7 | 165 | 151.5 | -3.2 | 108.7 | M11 S15 | M11-R13 HydrophobicContact CB-CG 4.32Å; M11-R13 VanDerWaalsContact CE-CD 3.42Å; M11-R13 HydrophobicContact CE-CG 3.76Å; M11-R13 VanDerWaalsContact CE-NE 3.31Å; M11-R13 HydrophobicContact CG-CG 4.21Å; M11-R13 PolarHBondContact O-N 3.13Å; R13-S15 PolarHBondContact O-N 2.85Å |
| 14 | E | 43.1 | Very low | 46.2 | Very low | 150 Ų | 150 | 156 Ų | 156 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 41.1 | 80.1 | 131.1 | -65 | -100.4 | 117.7 | 0 | 0 | 113.8 | Y16 | E14-Y16 HydrophobicContact CB-CD2 4.16Å; E14-Y16 PolarHBondContact O-N 2.89Å; E14-Y16 WeakPolarHBondContact OE2-CD2 3.32Å; E14-Y16 WeakPolarHBondContact OE2-CE2 3.06Å |
| 15 | S | 44.9 | Very low | 46.7 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -69.6 | 63.2 | 163.1 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | R13 | R13-S15 PolarHBondContact O-N 2.85Š|
| 16 | Y | 46 | Very low | 47 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -93.2 | 93.8 | 164.6 | -78.5 | -77.8 | 0 | 0 | 0 | 109 | E14 | E14-Y16 HydrophobicContact CB-CD2 4.16Å; E14-Y16 PolarHBondContact O-N 2.89Å; E14-Y16 WeakPolarHBondContact OE2-CD2 3.32Å; E14-Y16 WeakPolarHBondContact OE2-CE2 3.06Å |
| 17 | Y | 48.4 | Very low | 47.5 | Very low | 214 Ų | 214 | 148.3 Ų | 148.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | 29 | 104.5 | 133.2 | -76.1 | -95.9 | 0 | 0 | 0 | 117.7 | | |
| 18 | V | 46.5 | Very low | 48.2 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | | -155.6 | 105.3 | 123.4 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 19 | R | 60.7 | Low | 48.7 | Very low | 239 Ų | 239 | 150.3 Ų | 150.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -112.5 | 121 | 157.7 | -176.5 | -178.6 | -77.9 | -157.2 | -1.4 | 107.7 | | |
| 20 | P | 51.6 | Low | 49.2 | Very low | 96 Ų | 96 | 148.5 Ų | 148.5 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | | | trans | -70.5 | 158.5 | -174.8 | 28 | -34.2 | 0 | 0 | 0 | 112.6 | S22 | P20-S22 PolarHBondContact O-N 3.47Š|
| 21 | P | 54.3 | Low | 49.2 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -61.1 | 121.9 | -174.1 | 24 | -32.9 | 0 | 0 | 0 | 111.2 | V23 | P21-V23 PolarHBondContact O-N 3.35Å; P21-V23 VanDerWaalsContact O-N 3.13Å |
| 22 | S | 57.8 | Low | 49.8 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -63.8 | 109.4 | 167.9 | 50 | 0 | 0 | 0 | 0 | 108.6 | P20 Y24 | P20-S22 PolarHBondContact O-N 3.47Å; S22-Y24 PolarHBondContact O-N 2.89Å |
| 23 | V | 51.8 | Low | 50.1 | Low | 142 Ų | 142 | 146.6 Ų | 146.6 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -65 | 105.7 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | P21 | P21-V23 PolarHBondContact O-N 3.35Å; P21-V23 VanDerWaalsContact O-N 3.13Å |
| 24 | Y | 40.9 | Very low | 50.6 | Low | 179 Ų | 179 | 143.6 Ų | 143.6 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | -59.9 | 132.1 | 170.2 | 178.2 | -90.6 | 0 | 0 | 0 | 110.9 | S22 P26 | S22-Y24 PolarHBondContact O-N 2.89Å; Y24-P26 HydrophobicContact CE2-CG 4.07Å; Y24-P26 VanDerWaalsContact CZ-CD 3.47Å |
| 25 | Q | 48.1 | Very low | 50.9 | Low | 170 Ų | 170 | 144.7 Ų | 144.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -164.3 | 96.8 | 140.3 | -69.1 | -158.1 | -25.7 | 0 | 0 | 111.6 | | |
| 26 | P | 53.6 | Low | 51.3 | Low | 75 Ų | 75 | 143.6 Ų | 143.6 | 49% | 0.487 | 76% | 0.757 | S | S | . | * | | | trans | -82.1 | 111 | 146.5 | 22.6 | -10.3 | 0 | 0 | 0 | 108 | Y24 E28 | Y24-P26 HydrophobicContact CE2-CG 4.07Å; Y24-P26 VanDerWaalsContact CZ-CD 3.47Å; P26-E28 VanDerWaalsContact C-N 3.28Å; P26-E28 PolarHBondContact O-N 3.18Å |
| 27 | T | 51.9 | Low | 51.5 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -65.3 | 90.2 | 167.2 | -55.9 | 0 | 0 | 0 | 0 | 108.2 | T29 | T27-T29 PolarHBondContact O-N 3.03Å; T27-T29 VanDerWaalsContact O-N 3.08Å |
| 28 | E | 56.4 | Low | 51.8 | Low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | | | trans | -71.5 | 101.6 | 168.3 | -67 | -166.6 | 164.5 | 0 | 0 | 107.8 | P26 L30 | P26-E28 VanDerWaalsContact C-N 3.28Å; P26-E28 PolarHBondContact O-N 3.18Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.78Å |
| 29 | T | 52.3 | Low | 52 | Low | 116 Ų | 116 | 139.4 Ų | 139.4 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | -59.7 | 98.2 | 166.8 | 38.7 | 0 | 0 | 0 | 0 | 108.4 | T27 Y31 | T27-T29 PolarHBondContact O-N 3.03Å; T27-T29 VanDerWaalsContact O-N 3.08Å; T29-Y31 PolarHBondContact O-N 2.76Å |
| 30 | L | 50.9 | Low | 51.5 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | | | trans | -62.8 | 95.9 | 175.3 | -165.3 | 81.9 | 0 | 0 | 0 | 108.8 | E28 P32 | E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.78Å; L30-P32 WeakPolarHBondContact O-CD 3.07Å |
| 31 | Y | 43.2 | Very low | 51.4 | Low | 208 Ų | 208 | 141 Ų | 141 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | | | trans | -64.4 | 124.9 | 162.6 | -101.1 | -90.7 | 0 | 0 | 0 | 107.7 | T29 G33 | T29-Y31 PolarHBondContact O-N 2.76Å; Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 2.96Å |
| 32 | P | 50.2 | Low | 51.2 | Low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -71.5 | 92.1 | 177.3 | 27.5 | -31.4 | 0 | 0 | 0 | 109.1 | L30 | L30-P32 WeakPolarHBondContact O-CD 3.07Š|
| 33 | G | 54.2 | Low | 51.2 | Low | 54 Ų | 54 | 142.1 Ų | 142.1 | 56% | 0.557 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 156.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y31 M35 | Y31-G33 VanDerWaalsContact C-N 3.34Å; Y31-G33 PolarHBondContact O-N 2.96Å; G33-M35 PolarHBondContact O-N 2.79Å |
| 34 | P | 54.8 | Low | 51 | Low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 129 | -175.7 | 21.6 | -32 | 0 | 0 | 0 | 110.8 | | |
| 35 | M | 49.6 | Very low | 51.9 | Low | 172 Ų | 172 | 140.4 Ų | 140.4 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 121.8 | 179.5 | -134.3 | -179.1 | 170.5 | 0 | 0 | 109.4 | G33 N37 | G33-M35 PolarHBondContact O-N 2.79Å; M35-N37 PolarHBondContact O-N 2.77Å |
| 36 | P | 54.8 | Low | 52 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116 | 173.3 | 23 | -30 | 0 | 0 | 0 | 107.5 | S38 | P36-S38 PolarHBondContact O-N 2.98Å; P36-S38 VanDerWaalsContact O-N 3.14Å |
| 37 | N | 49.9 | Very low | 52.1 | Low | 121 Ų | 121 | 142.6 Ų | 142.6 | 65% | 0.647 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 124.3 | 173.9 | -68.6 | -25.8 | 0 | 0 | 0 | 107.7 | M35 Y39 Q40 | M35-N37 PolarHBondContact O-N 2.77Å; N37-Y39 HydrophobicContact CB-CD2 4.35Å; N37-Y39 PolarHBondContact O-N 2.81Å; N37-Q40 PolarHBondContact O-N 3.14Å |
| 38 | S | 54.7 | Low | 52.5 | Low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -6.2 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | P36 Q40 | P36-S38 PolarHBondContact O-N 2.98Å; P36-S38 VanDerWaalsContact O-N 3.14Å; S38-Q40 VanDerWaalsContact C-N 3.34Å |
| 39 | Y | 49.4 | Very low | 52.3 | Low | 211 Ų | 211 | 139.6 Ų | 139.6 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -11.4 | 170.6 | -59.1 | -69.6 | 0 | 0 | 0 | 114.7 | N37 R41 | N37-Y39 HydrophobicContact CB-CD2 4.35Å; N37-Y39 PolarHBondContact O-N 2.81Å; Y39-R41 PolarHBondContact O-N 2.72Å |
| 40 | Q | 51.5 | Low | 52.1 | Low | 139 Ų | 139 | 144.3 Ų | 144.3 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -71.4 | 83.8 | 165.8 | -75.7 | -178.1 | -24.6 | 0 | 0 | 107.8 | N37 S38 H42 | N37-Q40 PolarHBondContact O-N 3.14Å; S38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-H42 PolarHBondContact O-N 2.82Å |
| 41 | R | 48.2 | Very low | 51.9 | Low | 231 Ų | 231 | 144.2 Ų | 144.2 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -36.4 | 114.9 | 164 | -109.3 | 177.5 | 170.4 | -97.3 | 0.4 | 107.4 | Y39 S43 | Y39-R41 PolarHBondContact O-N 2.72Å; R41-S43 PolarHBondContact O-N 2.82Å |
| 42 | H | 51 | Low | 52.2 | Low | 149 Ų | 149 | 138.7 Ų | 138.7 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | | | trans | -55.5 | 98.3 | 159.9 | -65.5 | 141.6 | 0 | 0 | 0 | 105.3 | Q40 Y44 | Q40-H42 PolarHBondContact O-N 2.82Å; H42-Y44 HydrophobicContact CB-CD2 4.34Å; H42-Y44 HydrophobicContact CB-CE2 4.05Å; H42-Y44 VanDerWaalsContact O-CD2 3.32Å; H42-Y44 WeakPolarHBondContact O-CD2 3.25Å; H42-Y44 PolarHBondContact O-N 2.74Å |
| 43 | S | 57.8 | Low | 52.6 | Low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | trans | -66.5 | 91.6 | 164.8 | -166 | 0 | 0 | 0 | 0 | 103.1 | R41 A45 | R41-S43 PolarHBondContact O-N 2.82Å; S43-A45 PolarHBondContact O-N 3.03Å |
| 44 | Y | 48.2 | Very low | 51.9 | Low | 195 Ų | 195 | 146.3 Ų | 146.3 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | trans | -59.1 | 90.5 | 165.4 | -67.3 | -84.5 | 0 | 0 | 0 | 104.6 | H42 Q46 | H42-Y44 HydrophobicContact CB-CD2 4.34Å; H42-Y44 HydrophobicContact CB-CE2 4.05Å; H42-Y44 VanDerWaalsContact O-CD2 3.32Å; H42-Y44 WeakPolarHBondContact O-CD2 3.25Å; H42-Y44 PolarHBondContact O-N 2.74Å; Y44-Q46 PolarHBondContact O-N 2.92Å |
| 45 | A | 58.5 | Low | 51.5 | Low | 89 Ų | 89 | 145.4 Ų | 145.4 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | -61.7 | 96.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 104.5 | S43 | S43-A45 PolarHBondContact O-N 3.03Š|
| 46 | Q | 50.1 | Low | 51.3 | Low | 167 Ų | 167 | 142.6 Ų | 142.6 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | -56.6 | 133.1 | 171.8 | -65.6 | -167.1 | -31.3 | 0 | 0 | 106.4 | Y44 V48 | Y44-Q46 PolarHBondContact O-N 2.92Å; Q46-V48 PolarHBondContact O-N 3.18Å |
| 47 | P | 55.8 | Low | 50.9 | Low | 125 Ų | 125 | 148.2 Ų | 148.2 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -57.5 | 113.3 | -179.1 | 22.5 | -31.5 | 0 | 0 | 0 | 107.8 | S49 | P47-S49 PolarHBondContact O-N 2.77Š|
| 48 | V | 62 | Low | 50.4 | Low | 123 Ų | 123 | 153.3 Ų | 153.3 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | -63.5 | 111.7 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 105.2 | Q46 Y50 | Q46-V48 PolarHBondContact O-N 3.18Å; V48-Y50 VanDerWaalsContact C-N 3.32Å; V48-Y50 PolarHBondContact O-N 2.91Å |
| 49 | S | 51.4 | Low | 49.8 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -61.7 | 101.8 | 171.3 | 67.8 | 0 | 0 | 0 | 0 | 106.7 | P47 Q51 | P47-S49 PolarHBondContact O-N 2.77Å; S49-Q51 VanDerWaalsContact C-N 3.3Å; S49-Q51 PolarHBondContact O-N 2.89Å |
| 50 | Y | 48.5 | Very low | 49.4 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | trans | -66.5 | 96.2 | 171.5 | -118.8 | -92.7 | 0 | 0 | 0 | 106.3 | V48 P52 | V48-Y50 VanDerWaalsContact C-N 3.32Å; V48-Y50 PolarHBondContact O-N 2.91Å; Y50-P52 VanDerWaalsContact O-CD 3.25Å; Y50-P52 WeakPolarHBondContact O-CD 3.33Å |
| 51 | Q | 45.5 | Very low | 49.1 | Very low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -77.3 | 113.5 | 160.5 | -75 | -169.5 | -23.3 | 0 | 0 | 105.9 | S49 V53 | S49-Q51 VanDerWaalsContact C-N 3.3Å; S49-Q51 PolarHBondContact O-N 2.89Å; Q51-V53 PolarHBondContact O-N 2.84Å |
| 52 | P | 50.8 | Low | 48.7 | Very low | 91 Ų | 91 | 139 Ų | 139 | 59% | 0.591 | 75% | 0.754 | S | S | * | * | | | trans | -62.9 | 109 | 174.2 | 24.7 | -30.8 | 0 | 0 | 0 | 107.9 | Y50 Y54 | Y50-P52 VanDerWaalsContact O-CD 3.25Å; Y50-P52 WeakPolarHBondContact O-CD 3.33Å; P52-Y54 HydrophobicContact CG-CE2 4.38Å; P52-Y54 PolarHBondContact O-N 3.01Å |
| 53 | V | 58.1 | Low | 48.2 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 100.8 | 165.9 | -179.7 | 0 | 0 | 0 | 0 | 105.4 | Q51 P55 | Q51-V53 PolarHBondContact O-N 2.84Å; V53-P55 WeakPolarHBondContact O-CD 3.03Å |
| 54 | Y | 39.4 | Very low | 47.5 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | -59.6 | 119.8 | 170.6 | -76.2 | -84.9 | 0 | 0 | 0 | 107.7 | P52 S56 | P52-Y54 HydrophobicContact CG-CE2 4.38Å; P52-Y54 PolarHBondContact O-N 3.01Å; Y54-S56 PolarHBondContact O-N 3.09Å; Y54-S56 VanDerWaalsContact O-N 3.11Å |
| 55 | P | 47.1 | Very low | 47.1 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | trans | -62.1 | 120.6 | 177.5 | 23.5 | -30.4 | 0 | 0 | 0 | 108.1 | V53 Y57 | V53-P55 WeakPolarHBondContact O-CD 3.03Å; P55-Y57 PolarHBondContact O-N 2.93Å |
| 56 | S | 45.4 | Very low | 46.5 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -57 | 114 | 167.1 | -125 | 0 | 0 | 0 | 0 | 106.5 | Y54 R58 | Y54-S56 PolarHBondContact O-N 3.09Å; Y54-S56 VanDerWaalsContact O-N 3.11Å; S56-R58 PolarHBondContact O-N 2.72Å |
| 57 | Y | 45.2 | Very low | 46.2 | Very low | 216 Ų | 216 | 135.3 Ų | 135.3 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -67.6 | 51.7 | -171.4 | 54.5 | -86.2 | 0 | 0 | 0 | 112.6 | P55 | P55-Y57 PolarHBondContact O-N 2.93Š|
| 58 | R | 40.4 | Very low | 45.9 | Very low | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | trans | -159.1 | 78 | 177.6 | -106.4 | -166.7 | 178.5 | -145.6 | -0.1 | 110.7 | S56 | S56-R58 PolarHBondContact O-N 2.72Š|
| 59 | A | 41.1 | Very low | 45.2 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -178.2 | 109.7 | 141.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 60 | S | 41 | Very low | 44.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | trans | 48.1 | 93.5 | 141.5 | -55.7 | 0 | 0 | 0 | 0 | 117.4 | G62 | S60-G62 PolarHBondContact O-N 2.95Š|
| 61 | V | 45.4 | Very low | 44.4 | Very low | 163 Ų | 163 | 134 Ų | 134 | 99% | 0.988 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.9 | 87.7 | 139.4 | -79.5 | 0 | 0 | 0 | 0 | 111 | | |
| 62 | G | 40.1 | Very low | 44.4 | Very low | 42 Ų | 42 | 131.3 Ų | 131.3 | 43% | 0.433 | 74% | 0.735 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -172.7 | -29.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S60 A64 | S60-G62 PolarHBondContact O-N 2.95Å; G62-A64 VanDerWaalsContact C-N 3.34Å; G62-A64 PolarHBondContact O-N 2.96Å |
| 63 | D | 40.7 | Very low | 43.8 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -93 | 80.1 | 171.5 | -62.8 | -49.1 | 0 | 0 | 0 | 108.9 | Y65 | D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.09Å |
| 64 | A | 43.1 | Very low | 43.2 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | -41.7 | 118.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G62 V66 | G62-A64 VanDerWaalsContact C-N 3.34Å; G62-A64 PolarHBondContact O-N 2.96Å; A64-V66 PolarHBondContact O-N 3.11Å |
| 65 | Y | 39.7 | Very low | 43.4 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | | | trans | -13.1 | 90.4 | 166 | -170.1 | -99.9 | 0 | 0 | 0 | 111.9 | D63 P67 | D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.09Å; Y65-P67 HydrophobicContact CD1-CB 4.3Å; Y65-P67 HydrophobicContact CE1-CB 3.92Å; Y65-P67 WeakPolarHBondContact O-CD 3.46Å |
| 66 | V | 45.4 | Very low | 43 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | -72.6 | 107.8 | 160.4 | 179 | 0 | 0 | 0 | 0 | 102.2 | A64 S68 | A64-V66 PolarHBondContact O-N 3.11Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.72Å |
| 67 | P | 44.2 | Very low | 42.7 | Very low | 75 Ų | 75 | 144 Ų | 144 | 49% | 0.487 | 75% | 0.749 | S | S | . | * | | | trans | -55.4 | 112.1 | 168.5 | 23.8 | -30.3 | 0 | 0 | 0 | 104.4 | Y65 T69 | Y65-P67 HydrophobicContact CD1-CB 4.3Å; Y65-P67 HydrophobicContact CE1-CB 3.92Å; Y65-P67 WeakPolarHBondContact O-CD 3.46Å; P67-T69 PolarHBondContact O-N 3.26Å |
| 68 | S | 50.1 | Low | 42.4 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | | | trans | -60.6 | 93.9 | 162.4 | -85.4 | 0 | 0 | 0 | 0 | 103.6 | V66 Y70 | V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.72Å; S68-Y70 VanDerWaalsContact C-N 3.32Å; S68-Y70 PolarHBondContact O-N 2.83Å |
| 69 | T | 45.5 | Very low | 42.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | -46.3 | 108.8 | 168.7 | -58.2 | 0 | 0 | 0 | 0 | 104.2 | P67 S71 | P67-T69 PolarHBondContact O-N 3.26Å; T69-S71 PolarHBondContact O-N 2.89Å |
| 70 | Y | 41.3 | Very low | 42.2 | Very low | 212 Ų | 212 | 135.1 Ų | 135.1 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | | | trans | -59.5 | 93.7 | -177.1 | -159.4 | -89.1 | 0 | 0 | 0 | 105.2 | S68 P72 | S68-Y70 VanDerWaalsContact C-N 3.32Å; S68-Y70 PolarHBondContact O-N 2.83Å; Y70-P72 WeakPolarHBondContact O-CD 3.43Å |
| 71 | S | 42.6 | Very low | 41.9 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | -64.3 | 109.8 | 176.7 | -108.7 | 0 | 0 | 0 | 0 | 105.1 | T69 Y73 | T69-S71 PolarHBondContact O-N 2.89Å; S71-Y73 PolarHBondContact O-N 2.81Å; S71-Y73 VanDerWaalsContact O-N 3.09Å |
| 72 | P | 46.1 | Very low | 41.6 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | -76.6 | 4.3 | -174.1 | 33 | -32.5 | 0 | 0 | 0 | 111.7 | Y70 | Y70-P72 WeakPolarHBondContact O-CD 3.43Š|
| 73 | Y | 37.7 | Very low | 41.9 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -76.7 | 121.3 | 173.9 | -64 | -72 | 0 | 0 | 0 | 109.1 | S71 L75 | S71-Y73 PolarHBondContact O-N 2.81Å; S71-Y73 VanDerWaalsContact O-N 3.09Å; Y73-L75 PolarHBondContact O-N 2.71Å |
| 74 | P | 45.7 | Very low | 41.8 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | -58 | 127.8 | 179.7 | 22.8 | -31.4 | 0 | 0 | 0 | 108.6 | R76 | P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 2.92Å |
| 75 | L | 42.9 | Very low | 41.5 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | -50 | 96.6 | 164.2 | -168.2 | 94.4 | 0 | 0 | 0 | 106.8 | Y73 R77 | Y73-L75 PolarHBondContact O-N 2.71Å; L75-R77 VanDerWaalsContact C-N 3.25Å; L75-R77 PolarHBondContact O-N 3.07Å |
| 76 | R | 39.8 | Very low | 41.5 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | | | trans | -69.3 | 93.3 | -177.5 | -137.2 | 179.7 | 178.2 | -96.9 | 2.4 | 106 | P74 S78 | P74-R76 VanDerWaalsContact C-N 3.26Å; P74-R76 PolarHBondContact O-N 2.92Å; R76-S78 PolarHBondContact O-N 3.03Å |
| 77 | R | 37.7 | Very low | 41.6 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -53.4 | 117.6 | 175.3 | -71.7 | -180 | 177.9 | -112.9 | 2.7 | 108.7 | L75 | L75-R77 VanDerWaalsContact C-N 3.25Å; L75-R77 PolarHBondContact O-N 3.07Å |
| 78 | S | 40.2 | Very low | 41.6 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | 13.1 | 112.8 | 141.6 | 56.4 | 0 | 0 | 0 | 0 | 116.8 | R76 | R76-S78 PolarHBondContact O-N 3.03Š|
| 79 | I | 40.1 | Very low | 41 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | trans | -143.6 | 112.7 | 136.6 | -57.4 | -176.9 | 0 | 0 | 0 | 108 | | |
| 80 | S | 36.7 | Very low | 40.9 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | trans | -12 | 128.8 | 155.2 | 54.4 | 0 | 0 | 0 | 0 | 116 | | |
| 81 | N | 34.7 | Very low | 40.8 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | | | | -179 | 127.6 | 111.6 | -88.3 | -49.6 | 0 | 0 | 0 | 108 | | |
| 82 | N | 40 | Very low | 40.7 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.8 | 138.4 | 173.5 | -69.6 | -22.6 | 0 | 0 | 0 | 112 | | |
| 83 | R | 46.2 | Very low | 40.6 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.4 | 4.1 | 165.4 | -68.5 | -171 | 166.5 | -173.5 | -3 | 121 | I85 | R83-I85 PolarHBondContact O-N 2.72Š|
| 84 | L | 38.9 | Very low | 40.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | | | trans | -87.1 | 84.3 | 179.1 | -138.7 | 70.8 | 0 | 0 | 0 | 112.5 | | |
| 85 | I | 37 | Very low | 40.3 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 57% | 0.574 | 74% | 0.74 | S | S | * | * | | | trans | 34.5 | 114.8 | 147.8 | -56.8 | 159.1 | 0 | 0 | 0 | 115 | R83 P87 | R83-I85 PolarHBondContact O-N 2.72Å; I85-P87 VanDerWaalsContact O-N 3.15Å |
| 86 | D | 39.5 | Very low | 40.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | | | trans | -42.8 | 124.5 | 164.4 | -90.7 | -41.7 | 0 | 0 | 0 | 109.2 | D88 T89 | D86-D88 PolarHBondContact O-N 2.88Å; D86-T89 PolarHBondContact O-N 2.8Å |
| 87 | P | 47.3 | Very low | 40.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -10.7 | -178.9 | 24 | -32.9 | 0 | 0 | 0 | 112.9 | I85 T89 | I85-P87 VanDerWaalsContact O-N 3.15Å; P87-T89 VanDerWaalsContact C-N 3.3Å |
| 88 | D | 44.4 | Very low | 40.5 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -9.4 | 174.2 | -59.6 | -31.4 | 0 | 0 | 0 | 113.4 | D86 | D86-D88 PolarHBondContact O-N 2.88Š|
| 89 | T | 37.1 | Very low | 40.3 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 51% | 0.509 | 72% | 0.716 | S | S | . | * | | | trans | -124.9 | 51.6 | -172 | -27.8 | 0 | 0 | 0 | 0 | 113.3 | D86 P87 S91 | D86-T89 PolarHBondContact O-N 2.8Å; P87-T89 VanDerWaalsContact C-N 3.3Å; T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 VanDerWaalsContact O-N 3.13Å |
| 90 | I | 43.4 | Very low | 40.5 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 64% | 0.641 | 71% | 0.707 | S | S | * | * | | | trans | -80.9 | 82.5 | 153.1 | -57.4 | 175.7 | 0 | 0 | 0 | 106.6 | N92 | I90-N92 PolarHBondContact O-N 2.96Š|
| 91 | S | 38.7 | Very low | 41.2 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | | | trans | -66.5 | 85.4 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 109 | T89 N93 | T89-S91 PolarHBondContact O-N 3.09Å; T89-S91 VanDerWaalsContact O-N 3.13Å; S91-N93 PolarHBondContact O-N 3.2Å |
| 92 | N | 40.6 | Very low | 41.4 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | -91 | 86 | 160 | -83.3 | -14.8 | 0 | 0 | 0 | 107.2 | I90 G94 N95 | I90-N92 PolarHBondContact O-N 2.96Å; N92-G94 VanDerWaalsContact C-N 3.26Å; N92-G94 PolarHBondContact O-N 3.33Å; N92-N95 PolarHBondContact O-N 2.79Å |
| 93 | N | 44.1 | Very low | 41.6 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 34.5 | 54 | 166.6 | -74.2 | 9.5 | 0 | 0 | 0 | 115 | S91 N95 | S91-N93 PolarHBondContact O-N 3.2Å; N93-N95 PolarHBondContact O-N 3.28Å |
| 94 | G | 43 | Very low | 41.4 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.7 | 5.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | N92 | N92-G94 VanDerWaalsContact C-N 3.26Å; N92-G94 PolarHBondContact O-N 3.33Å |
| 95 | N | 34.4 | Very low | 41.6 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | | | trans | -117.8 | 77.5 | 173 | -164.6 | -1 | 0 | 0 | 0 | 111.6 | N92 N93 L97 | N92-N95 PolarHBondContact O-N 2.79Å; N93-N95 PolarHBondContact O-N 3.28Å; N95-L97 PolarHBondContact O-N 3.43Å |
| 96 | T | 42.1 | Very low | 41.9 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | trans | -71.2 | 95.1 | 167 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | S98 | T96-S98 PolarHBondContact O-N 3.01Š|
| 97 | L | 39 | Very low | 42.1 | Very low | 123 Ų | 123 | 132 Ų | 132 | 64% | 0.644 | 72% | 0.717 | S | S | * | * | | | trans | -68.8 | 78.1 | 161.3 | -66.4 | 174.6 | 0 | 0 | 0 | 107.3 | N95 Y99 | N95-L97 PolarHBondContact O-N 3.43Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.03Å |
| 98 | S | 42.7 | Very low | 42.1 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | | | trans | -64.3 | 102.8 | 166.1 | -171.9 | 0 | 0 | 0 | 0 | 105.8 | T96 S100 | T96-S98 PolarHBondContact O-N 3.01Å; S98-S100 PolarHBondContact O-N 3.17Å |
| 99 | Y | 35.9 | Very low | 42.1 | Very low | 211 Ų | 211 | 130.4 Ų | 130.4 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | | | trans | -65.3 | 81.9 | 162 | -72.5 | -81.6 | 0 | 0 | 0 | 106.2 | L97 P101 | L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.03Å; Y99-P101 WeakPolarHBondContact O-CD 3.32Å |
| 100 | S | 44.2 | Very low | 42.3 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | | | trans | -56.4 | 109 | 167.9 | -80.1 | 0 | 0 | 0 | 0 | 106.5 | S98 R102 | S98-S100 PolarHBondContact O-N 3.17Å; S100-R102 PolarHBondContact O-N 2.88Å |
| 101 | P | 51.1 | Low | 42.5 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | | | trans | -60.4 | 115.4 | 172.3 | 24.7 | -28.5 | 0 | 0 | 0 | 105.4 | Y99 T103 | Y99-P101 WeakPolarHBondContact O-CD 3.32Å; P101-T103 PolarHBondContact O-N 2.97Å |
| 102 | R | 39.5 | Very low | 42.8 | Very low | 227 Ų | 227 | 138.5 Ų | 138.5 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | | | trans | -40.6 | 113.9 | -174 | -69.3 | 170.7 | 79.1 | 156.7 | 2.4 | 108.6 | S100 Y104 | S100-R102 PolarHBondContact O-N 2.88Å; R102-Y104 PolarHBondContact O-N 2.93Å |
| 103 | T | 43.8 | Very low | 43.3 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -48.7 | 98.3 | 178.3 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | P101 | P101-T103 PolarHBondContact O-N 2.97Š|
| 104 | Y | 42.1 | Very low | 43.1 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | -67 | 131.4 | 154.3 | -71.7 | -81.4 | 0 | 0 | 0 | 106.2 | R102 R106 | R102-Y104 PolarHBondContact O-N 2.93Å; Y104-R106 PolarHBondContact O-N 3.36Å |
| 105 | P | 43.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | | | trans | -61.2 | 110.1 | 179.4 | 24.4 | -32 | 0 | 0 | 0 | 108.4 | V107 | P105-V107 PolarHBondContact O-N 3.08Š|
| 106 | R | 44.4 | Very low | 44 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 79% | 0.789 | 72% | 0.723 | S | S | * | * | | | trans | -66.7 | 97.7 | 171.9 | 179.4 | -177.4 | 173.5 | 171.2 | -1.1 | 107.4 | Y104 Q108 | Y104-R106 PolarHBondContact O-N 3.36Å; R106-Q108 HydrophobicContact CG-CG 4.17Å; R106-Q108 PolarHBondContact O-N 2.9Å |
| 107 | V | 42.7 | Very low | 44 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | trans | -68.9 | 103.8 | 168.1 | -176.1 | 0 | 0 | 0 | 0 | 107 | P105 I109 | P105-V107 PolarHBondContact O-N 3.08Å; V107-I109 HydrophobicContact CG1-CG1 4.13Å; V107-I109 PolarHBondContact O-N 3.24Å |
| 108 | Q | 47.3 | Very low | 44 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 49% | 0.486 | 72% | 0.724 | S | S | . | * | | | trans | -79 | 104.8 | 173.8 | -70 | 177.3 | -12.4 | 0 | 0 | 108.3 | R106 Y110 | R106-Q108 HydrophobicContact CG-CG 4.17Å; R106-Q108 PolarHBondContact O-N 2.9Å; Q108-Y110 HydrophobicContact CB-CD2 4.43Å; Q108-Y110 HydrophobicContact CB-CE2 3.86Å; Q108-Y110 PolarHBondContact OE1-OH 3.03Å |
| 109 | I | 44.4 | Very low | 43.6 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | | | trans | -90.4 | 102.9 | 170.2 | -54.9 | 177.9 | 0 | 0 | 0 | 107.4 | V107 H111 | V107-I109 HydrophobicContact CG1-CG1 4.13Å; V107-I109 PolarHBondContact O-N 3.24Å; I109-H111 VanDerWaalsContact CG2-CE1 3.46Å; I109-H111 WeakPolarHBondContact CG2-CE1 3.34Å; I109-H111 PolarHBondContact O-N 3.13Å; I109-H111 PolarHBondContact O-ND1 2.87Å |
| 110 | Y | 41.9 | Very low | 43.8 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | | | trans | -73 | 118.3 | 172.4 | -66 | -87.8 | 0 | 0 | 0 | 109.1 | Q108 | Q108-Y110 HydrophobicContact CB-CD2 4.43Å; Q108-Y110 HydrophobicContact CB-CE2 3.86Å; Q108-Y110 PolarHBondContact OE1-OH 3.03Å |
| 111 | H | 46.9 | Very low | 43.6 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | | | trans | -100.5 | 101.5 | 169.8 | -64.7 | 83.8 | 0 | 0 | 0 | 108.1 | I109 R113 | I109-H111 VanDerWaalsContact CG2-CE1 3.46Å; I109-H111 WeakPolarHBondContact CG2-CE1 3.34Å; I109-H111 PolarHBondContact O-N 3.13Å; I109-H111 PolarHBondContact O-ND1 2.87Å; H111-R113 VanDerWaalsContact C-N 3.33Å; H111-R113 PolarHBondContact O-N 3.04Å |
| 112 | T | 44.8 | Very low | 43.3 | Very low | 125 Ų | 125 | 161.9 Ų | 161.9 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -74 | 90.1 | 169.1 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | N114 | T112-N114 PolarHBondContact O-N 3.35Š|
| 113 | R | 52.2 | Low | 43.5 | Very low | 207 Ų | 207 | 158.5 Ų | 158.5 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | | | trans | -78 | 100.2 | 171 | -138.6 | -179.8 | -165.3 | 179.5 | 4.4 | 106.7 | H111 T115 | H111-R113 VanDerWaalsContact C-N 3.33Å; H111-R113 PolarHBondContact O-N 3.04Å; R113-T115 PolarHBondContact O-N 2.96Å |
| 114 | N | 39.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 160.2 Ų | 160.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -54 | 112.4 | 170.5 | -79.6 | -30.4 | 0 | 0 | 0 | 108.4 | T112 N116 | T112-N114 PolarHBondContact O-N 3.35Å; N114-N116 VanDerWaalsContact C-N 3.27Å; N114-N116 PolarHBondContact O-N 3.48Å |
| 115 | T | 51.4 | Low | 43.5 | Very low | 130 Ų | 130 | 157.2 Ų | 157.2 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | | | trans | -65.3 | 85.7 | 165.6 | 22 | 0 | 0 | 0 | 0 | 108.4 | R113 | R113-T115 PolarHBondContact O-N 2.96Š|
| 116 | N | 45 | Very low | 43.5 | Very low | 136 Ų | 136 | 160.3 Ų | 160.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -160.3 | 89 | 158.1 | -71.3 | -55.5 | 0 | 0 | 0 | 104.7 | N114 | N114-N116 VanDerWaalsContact C-N 3.27Å; N114-N116 PolarHBondContact O-N 3.48Å |
| 117 | D | 42.1 | Very low | 43.5 | Very low | 145 Ų | 145 | 157 Ų | 157 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | | 68.1 | 124.7 | 92.1 | -73.3 | -40.8 | 0 | 0 | 0 | 113.3 | | |
| 118 | G | 38.2 | Very low | 43.5 | Very low | 53 Ų | 53 | 159.7 Ų | 159.7 | 55% | 0.546 | 76% | 0.755 | S | S | . | * | | | trans | -175.1 | 58.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y120 | G118-Y120 PolarHBondContact O-N 3.35Š|
| 119 | Y | 35.2 | Very low | 43.2 | Very low | 211 Ų | 211 | 164 Ų | 164 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -62.1 | 118 | 159.3 | -70 | -95.4 | 0 | 0 | 0 | 108.1 | | |
| 120 | Y | 38.7 | Very low | 43.1 | Very low | 216 Ų | 216 | 167.4 Ų | 167.4 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -125.5 | 124.9 | 165 | -70.7 | -80.1 | 0 | 0 | 0 | 108.8 | G118 | G118-Y120 PolarHBondContact O-N 3.35Š|
| 121 | Y | 41.5 | Very low | 43.2 | Very low | 306 Ų | 306 | 166.1 Ų | 166.1 | 100% | 1.2 | 80% | 0.795 | S | S | * | * | | | trans | -59.2 | 0 | -177.5 | -71.3 | -96 | 0 | 0 | 0 | 113.1 | | |