| 1 | S | 56.3 | Low | 57.4 | Low | 175 Ų | 175 | 145.1 Ų | 145.1 | 100% | 1.224 | 84% | 0.835 | S | S | * | * | | | | 0 | 96.8 | 0 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 2 | Q | 49.5 | Very low | 57.9 | Low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | | | trans | -145.5 | 106.6 | 177.8 | -90.2 | 173.1 | -44.6 | 0 | 0 | 107.5 | | |
| 3 | V | 52.7 | Low | 58.1 | Low | 140 Ų | 140 | 142.1 Ų | 142.1 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | 31.2 | 95.9 | 137.7 | -166.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 4 | K | 53.5 | Low | 58 | Low | 209 Ų | 209 | 137.1 Ų | 137.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | | 35.9 | 100 | 77.1 | -165.3 | 172 | -177.9 | 179.4 | 0 | 114.9 | | |
| 5 | G | 56.3 | Low | 58.1 | Low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | 136.2 | 74.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I7 | G5-I7 PolarHBondContact O-N 3.13Š|
| 6 | A | 62.8 | Low | 58.1 | Low | 103 Ų | 103 | 137.5 Ų | 137.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -74.1 | 112.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 7 | I | 64.3 | Low | 58.2 | Low | 142 Ų | 142 | 139.9 Ų | 139.9 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | | | trans | -138.3 | 104.8 | 147.8 | 45.5 | 172.5 | 0 | 0 | 0 | 105.6 | G5 E9 | G5-I7 PolarHBondContact O-N 3.13Å; I7-E9 PolarHBondContact O-N 3.08Å |
| 8 | D | 53.1 | Low | 58.4 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | -65.5 | 110 | 158.6 | -111.4 | -26.5 | 0 | 0 | 0 | 104.8 | D10 | D8-D10 VanDerWaalsContact C-N 3.26Å; D8-D10 PolarHBondContact O-N 3.04Å |
| 9 | E | 59.2 | Low | 58.6 | Low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | -69.3 | 93.9 | 166.5 | -72.9 | 175.7 | 170.6 | 0 | 0 | 106 | I7 V11 | I7-E9 PolarHBondContact O-N 3.08Å; E9-V11 HydrophobicContact CB-CG2 4.35Å; E9-V11 PolarHBondContact O-N 2.89Å |
| 10 | D | 60.2 | Low | 58.8 | Low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -64.1 | 77.1 | 163.5 | -78.2 | -32.7 | 0 | 0 | 0 | 107.6 | D8 A12 | D8-D10 VanDerWaalsContact C-N 3.26Å; D8-D10 PolarHBondContact O-N 3.04Å; D10-A12 PolarHBondContact O-N 2.87Å |
| 11 | V | 63.7 | Low | 59 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 62% | 0.624 | 80% | 0.796 | S | S | * | * | | | trans | -63.7 | 96.2 | 163.1 | 174.6 | 0 | 0 | 0 | 0 | 104.4 | E9 E13 | E9-V11 HydrophobicContact CB-CG2 4.35Å; E9-V11 PolarHBondContact O-N 2.89Å; V11-E13 HydrophobicContact CG1-CG 4.15Å; V11-E13 PolarHBondContact O-N 2.74Å |
| 12 | A | 63.1 | Low | 59.4 | Low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | -59.2 | 91.1 | 159 | 0 | 0 | 0 | 0 | 0 | 105.7 | D10 G14 | D10-A12 PolarHBondContact O-N 2.87Å; A12-G14 PolarHBondContact O-N 2.76Å |
| 13 | E | 61 | Low | 60.3 | Low | 155 Ų | 155 | 132.5 Ų | 132.5 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -58.3 | 90.6 | 163.4 | -72.5 | -169.2 | 172.7 | 0 | 0 | 105.2 | V11 R15 | V11-E13 HydrophobicContact CG1-CG 4.15Å; V11-E13 PolarHBondContact O-N 2.74Å; E13-R15 PolarHBondContact O-N 2.73Å |
| 14 | G | 56.2 | Low | 60.9 | Low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | trans | -60.3 | 89.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106 | A12 G16 | A12-G14 PolarHBondContact O-N 2.76Å; G14-G16 PolarHBondContact O-N 2.78Å |
| 15 | R | 59.4 | Low | 61.6 | Low | 215 Ų | 215 | 129.6 Ų | 129.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | -61.6 | 90.9 | 159.1 | -75.1 | -171.5 | 177.5 | -146.3 | -0.5 | 104.7 | E13 E17 | E13-R15 PolarHBondContact O-N 2.73Å; R15-E17 PolarHBondContact O-N 2.73Å |
| 16 | G | 58.7 | Low | 62 | Low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | -60.3 | 88 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | G14 E18 | G14-G16 PolarHBondContact O-N 2.78Å; G16-E18 PolarHBondContact O-N 2.73Å |
| 17 | E | 60.3 | Low | 62 | Low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -56 | 102.9 | 159 | -71.8 | -172.1 | 157.7 | 0 | 0 | 104.4 | R15 S19 | R15-E17 PolarHBondContact O-N 2.73Å; E17-S19 PolarHBondContact O-N 2.74Å |
| 18 | E | 61.2 | Low | 61.9 | Low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -60.4 | 94.8 | 176.5 | -55.4 | -172.8 | 179.7 | 0 | 0 | 105.3 | G16 S20 | G16-E18 PolarHBondContact O-N 2.73Å; E18-S20 PolarHBondContact O-N 2.88Å |
| 19 | S | 61.4 | Low | 62.4 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -59.8 | 99.6 | 171.7 | -175.4 | 0 | 0 | 0 | 0 | 104.8 | E17 G21 | E17-S19 PolarHBondContact O-N 2.74Å; S19-G21 PolarHBondContact O-N 2.72Å |
| 20 | S | 63.7 | Low | 62.6 | Low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -70 | 56.7 | 165.9 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | E18 L22 | E18-S20 PolarHBondContact O-N 2.88Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 2.99Å |
| 21 | G | 63.3 | Low | 62.7 | Low | 49 Ų | 49 | 137 Ų | 137 | 51% | 0.505 | 75% | 0.754 | S | S | . | * | | | trans | -59.6 | 103.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | S19 L23 | S19-G21 PolarHBondContact O-N 2.72Å; G21-L23 PolarHBondContact O-N 3.42Å |
| 22 | L | 63 | Low | 62.7 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | trans | -51 | 106.9 | 167.6 | -87.1 | 147 | 0 | 0 | 0 | 106.7 | S20 | S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 2.99Å |
| 23 | L | 68.6 | Low | 62.3 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | -57.9 | 132.2 | 172.2 | -66.6 | 174.6 | 0 | 0 | 0 | 106.9 | G21 Q25 | G21-L23 PolarHBondContact O-N 3.42Å; L23-Q25 PolarHBondContact O-N 2.86Å |
| 24 | P | 65.8 | Low | 62.3 | Low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | | | trans | -57.1 | 119 | 178.8 | 19.7 | -29.3 | 0 | 0 | 0 | 109 | I26 | P24-I26 PolarHBondContact O-N 3.19Å; P24-I26 VanDerWaalsContact O-N 3.08Å |
| 25 | Q | 67.6 | Low | 62.2 | Low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | | | trans | -71.3 | 104.1 | 175.6 | -66.9 | -176.2 | 27.8 | 0 | 0 | 108.1 | L23 M27 | L23-Q25 PolarHBondContact O-N 2.86Å; Q25-M27 PolarHBondContact O-N 3.18Å; Q25-M27 VanDerWaalsContact O-N 3.13Å |
| 26 | I | 66.6 | Low | 62 | Low | 132 Ų | 132 | 134.6 Ų | 134.6 | 68% | 0.677 | 72% | 0.721 | S | S | * | * | | | trans | -77.4 | 100.5 | 174.8 | -54.1 | 177.4 | 0 | 0 | 0 | 107.4 | P24 L28 | P24-I26 PolarHBondContact O-N 3.19Å; P24-I26 VanDerWaalsContact O-N 3.08Å; I26-L28 HydrophobicContact CG2-CD1 4.49Å; I26-L28 HydrophobicContact CG2-CD2 3.85Å; I26-L28 HydrophobicContact CG2-CG 3.96Å; I26-L28 PolarHBondContact O-N 2.73Å |
| 27 | M | 61.6 | Low | 61.7 | Low | 189 Ų | 189 | 140 Ų | 140 | 93% | 0.931 | 73% | 0.734 | S | S | * | * | | | trans | -75.5 | 102.1 | 174 | -125.8 | 176.4 | 75 | 0 | 0 | 109.1 | Q25 | Q25-M27 PolarHBondContact O-N 3.18Å; Q25-M27 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 61.6 | Low | 61.5 | Low | 105 Ų | 105 | 135.8 Ų | 135.8 | 55% | 0.55 | 73% | 0.729 | S | S | . | * | | | trans | -87 | 117.8 | -179.2 | -65.4 | 153.4 | 0 | 0 | 0 | 108.8 | I26 L33 | I26-L28 HydrophobicContact CG2-CD1 4.49Å; I26-L28 HydrophobicContact CG2-CD2 3.85Å; I26-L28 HydrophobicContact CG2-CG 3.96Å; I26-L28 PolarHBondContact O-N 2.73Å; L28-L33 HydrophobicContact CG-CG 4.36Å; L28-L33 HydrophobicContact CG-CD2 4.42Å; L28-L33 HydrophobicContact CG-CD1 4.02Å; L28-L33 HydrophobicContact CD2-CG 4.16Å; L28-L33 HydrophobicContact CD2-CD2 4Å; L28-L33 HydrophobicContact CD1-CG 4.1Å; L28-L33 HydrophobicContact CD2-CD1 4.37Å; L28-L33 HydrophobicContact CB-CD1 3.73Å; L28-L33 HydrophobicContact CB-CG 4.29Å; L28-L33 HydrophobicContact CD1-CD2 3.88Å; L28-L33 HydrophobicContact CD1-CD1 3.55Å |
| 29 | S | 63.6 | Low | 61.3 | Low | 88 Ų | 88 | 132.9 Ų | 132.9 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | trans | -63 | 146.4 | 172.6 | 91.3 | 0 | 0 | 0 | 0 | 109.3 | Q31 | S29-Q31 PolarHBondContact O-N 2.86Š|
| 30 | R | 64.8 | Low | 61.2 | Low | 259 Ų | 259 | 135 Ų | 135 | 98% | 0.977 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -58.3 | -7.9 | -177.4 | -83 | -177.3 | 156.2 | -165.9 | -7.7 | 114.9 | | |
| 31 | Q | 62.5 | Low | 60.9 | Low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -100.7 | 104.5 | 179.7 | -67.1 | 179.4 | 48.3 | 0 | 0 | 108.8 | S29 | S29-Q31 PolarHBondContact O-N 2.86Š|
| 32 | Q | 63.2 | Low | 60.5 | Low | 156 Ų | 156 | 144 Ų | 144 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | | | trans | 77.2 | 63.5 | 160.9 | -55.7 | -175.5 | -50.8 | 0 | 0 | 117.2 | H34 | Q32-H34 PolarHBondContact O-N 3.22Š|
| 33 | L | 53.6 | Low | 59.9 | Low | 95 Ų | 95 | 138.5 Ų | 138.5 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | | | trans | -77.8 | 74.6 | 140.6 | -86.5 | 155.9 | 0 | 0 | 0 | 109.1 | L28 L35 | L28-L33 HydrophobicContact CG-CG 4.36Å; L28-L33 HydrophobicContact CG-CD2 4.42Å; L28-L33 HydrophobicContact CG-CD1 4.02Å; L28-L33 HydrophobicContact CD2-CG 4.16Å; L28-L33 HydrophobicContact CD2-CD2 4Å; L28-L33 HydrophobicContact CD1-CG 4.1Å; L28-L33 HydrophobicContact CD2-CD1 4.37Å; L28-L33 HydrophobicContact CB-CD1 3.73Å; L28-L33 HydrophobicContact CB-CG 4.29Å; L28-L33 HydrophobicContact CD1-CD2 3.88Å; L28-L33 HydrophobicContact CD1-CD1 3.55Å; L33-L35 VanDerWaalsContact O-N 3.17Å; L33-L35 PolarHBondContact O-N 2.79Å; L33-L35 HydrophobicContact CD2-CG 4.47Å; L33-L35 HydrophobicContact CD2-CD2 4.34Å; L33-L35 HydrophobicContact CD2-CB 3.84Å |
| 34 | H | 62.4 | Low | 59.5 | Low | 157 Ų | 157 | 138.9 Ų | 138.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | -83 | 60.7 | 151.1 | -66.8 | -81 | 0 | 0 | 0 | 106.9 | Q32 P36 | Q32-H34 PolarHBondContact O-N 3.22Å; H34-P36 VanDerWaalsContact O-CD 3.27Å; H34-P36 WeakPolarHBondContact O-CD 3.27Å |
| 35 | L | 52.9 | Low | 59.3 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | | | trans | -71.7 | 117.7 | 173 | -165.4 | 67.3 | 0 | 0 | 0 | 105.8 | L33 L37 L39 | L33-L35 VanDerWaalsContact O-N 3.17Å; L33-L35 PolarHBondContact O-N 2.79Å; L33-L35 HydrophobicContact CD2-CG 4.47Å; L33-L35 HydrophobicContact CD2-CD2 4.34Å; L33-L35 HydrophobicContact CD2-CB 3.84Å; L35-L37 PolarHBondContact O-N 3.17Å; L35-L37 VanDerWaalsContact O-N 3.1Å; L35-L39 HydrophobicContact CD1-CD1 4.04Å |
| 36 | P | 55.2 | Low | 58.7 | Low | 88 Ų | 88 | 140 Ų | 140 | 57% | 0.571 | 72% | 0.718 | S | S | * | * | | | trans | -56.5 | 124.3 | 165.4 | -13.5 | 27.4 | 0 | 0 | 0 | 105.9 | H34 A38 | H34-P36 VanDerWaalsContact O-CD 3.27Å; H34-P36 WeakPolarHBondContact O-CD 3.27Å; P36-A38 HydrophobicContact CB-CB 4.5Å; P36-A38 PolarHBondContact O-N 3.1Å |
| 37 | L | 53.2 | Low | 58.3 | Low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 10.5 | 179.2 | -114.4 | 82.7 | 0 | 0 | 0 | 113.7 | L35 L39 | L35-L37 PolarHBondContact O-N 3.17Å; L35-L37 VanDerWaalsContact O-N 3.1Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-L39 VanDerWaalsContact C-N 3.27Å |
| 38 | A | 55 | Low | 58.3 | Low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -7.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | P36 | P36-A38 HydrophobicContact CB-CB 4.5Å; P36-A38 PolarHBondContact O-N 3.1Å |
| 39 | L | 58.5 | Low | 58.1 | Low | 127 Ų | 127 | 135 Ų | 135 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.7 | 32.6 | -172.5 | -79.8 | 170.2 | 0 | 0 | 0 | 115.3 | L35 L37 | L35-L39 HydrophobicContact CD1-CD1 4.04Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-L39 VanDerWaalsContact C-N 3.27Å |
| 40 | L | 58.8 | Low | 57.9 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | | | trans | -149.9 | 78.1 | 163.2 | -154.5 | 70.2 | 0 | 0 | 0 | 113.7 | | |
| 41 | I | 56.1 | Low | 57.5 | Low | 103 Ų | 103 | 125.3 Ų | 125.3 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | | | trans | -128.8 | 87.6 | 155.4 | -53.2 | 178.7 | 0 | 0 | 0 | 107.5 | G43 K49 | I41-G43 VanDerWaalsContact C-N 3.28Å; I41-K49 HydrophobicContact CD1-CB 3.96Å; I41-K49 WeakPolarHBondContact CD1-O 3.43Å |
| 42 | R | 54.9 | Low | 57.5 | Low | 247 Ų | 247 | 123.5 Ų | 123.5 | 93% | 0.932 | 67% | 0.67 | S | S | * | * | | | trans | -92.6 | 74.5 | 151.5 | -173.3 | -175.1 | -86.4 | -149.1 | -2.6 | 106.9 | | |
| 43 | G | 51.9 | Low | 57.3 | Low | 41 Ų | 41 | 120.9 Ų | 120.9 | 42% | 0.423 | 66% | 0.661 | S | S | . | * | | | trans | -91.9 | 132.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | I41 D45 | I41-G43 VanDerWaalsContact C-N 3.28Å; G43-D45 PolarHBondContact O-N 2.95Å |
| 44 | N | 59.3 | Low | 57.5 | Low | 160 Ų | 160 | 121.3 Ų | 121.3 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -63.5 | 19.5 | -179 | -179.1 | 56.2 | 0 | 0 | 0 | 114.5 | | |
| 45 | D | 61.2 | Low | 57.4 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -120.1 | 129.5 | -179 | -48.8 | -32.7 | 0 | 0 | 0 | 105.7 | G43 S47 | G43-D45 PolarHBondContact O-N 2.95Å; D45-S47 PolarHBondContact O-N 2.74Å |
| 46 | N | 56.2 | Low | 57.5 | Low | 184 Ų | 184 | 120.2 Ų | 120.2 | 98% | 0.984 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -60.7 | 24.3 | -176.6 | -90.7 | -6.6 | 0 | 0 | 0 | 115.4 | | |
| 47 | S | 57.4 | Low | 57.1 | Low | 71 Ų | 71 | 127.1 Ų | 127.1 | 50% | 0.497 | 71% | 0.711 | S | S | . | * | | | trans | -104.1 | 98.8 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | D45 K49 | D45-S47 PolarHBondContact O-N 2.74Å; S47-K49 PolarHBondContact O-N 3.07Å; S47-K49 VanDerWaalsContact O-N 3.07Å |
| 48 | V | 61.9 | Low | 57.3 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | | | trans | -67.8 | 101.1 | 163.8 | 178.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 49 | K | 57.4 | Low | 57.4 | Low | 128 Ų | 128 | 126.5 Ų | 126.5 | 56% | 0.557 | 70% | 0.698 | S | S | * | * | | | trans | -81.3 | 121.3 | 170.8 | -67.1 | -173.3 | 178.3 | -178 | 0 | 108.8 | I41 S47 D53 | I41-K49 HydrophobicContact CD1-CB 3.96Å; I41-K49 WeakPolarHBondContact CD1-O 3.43Å; S47-K49 PolarHBondContact O-N 3.07Å; S47-K49 VanDerWaalsContact O-N 3.07Å; K49-D53 WeakPolarHBondContact CA-OD2 3.37Å; K49-D53 HydrophobicContact CB-CB 4.36Å |
| 50 | T | 59.3 | Low | 57.3 | Low | 70 Ų | 70 | 126.4 Ų | 126.4 | 43% | 0.429 | 70% | 0.7 | S | S | . | * | | | trans | -83.1 | 162.1 | 173.2 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | D52 D53 | T50-D52 VanDerWaalsContact O-N 3.11Å; T50-D52 PolarHBondContact O-N 2.79Å; T50-D53 PolarHBondContact N-OD2 2.96Å; T50-D53 WeakPolarHBondContact O-CB 3.11Å; T50-D53 PolarHBondContact O-N 3.27Å; T50-D53 PolarHBondContact OG1-OD2 2.67Å |
| 51 | A | 57.5 | Low | 57.2 | Low | 74 Ų | 74 | 124.6 Ų | 124.6 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -61.3 | -18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | D53 Q55 | A51-D53 VanDerWaalsContact C-N 3.35Å; A51-Q55 PolarHBondContact O-NE2 3.11Å |
| 52 | D | 61.1 | Low | 57.3 | Low | 125 Ų | 125 | 126 Ų | 126 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -72.6 | -29 | 173.8 | -65.1 | -29 | 0 | 0 | 0 | 111.8 | T50 V54 Q55 | T50-D52 VanDerWaalsContact O-N 3.11Å; T50-D52 PolarHBondContact O-N 2.79Å; D52-V54 PolarHBondContact O-N 3.41Å; D52-Q55 PolarHBondContact O-N 3.35Å |
| 53 | D | 58.7 | Low | 57.4 | Low | 100 Ų | 100 | 117.9 Ų | 117.9 | 54% | 0.535 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -72.3 | -13.9 | 178.4 | -60.3 | -52.1 | 0 | 0 | 0 | 113.1 | K49 T50 A51 | K49-D53 WeakPolarHBondContact CA-OD2 3.37Å; K49-D53 HydrophobicContact CB-CB 4.36Å; T50-D53 PolarHBondContact N-OD2 2.96Å; T50-D53 WeakPolarHBondContact O-CB 3.11Å; T50-D53 PolarHBondContact O-N 3.27Å; T50-D53 PolarHBondContact OG1-OD2 2.67Å; A51-D53 VanDerWaalsContact C-N 3.35Å |
| 54 | V | 58.2 | Low | 57.8 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -96.6 | -19.1 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | D52 G56 | D52-V54 PolarHBondContact O-N 3.41Å; V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 3.44Å |
| 55 | Q | 59.8 | Low | 57.7 | Low | 157 Ų | 157 | 120.6 Ų | 120.6 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -86.9 | 4.6 | -176.1 | -70.6 | -179.8 | 62.5 | 0 | 0 | 114.2 | A51 D52 | A51-Q55 PolarHBondContact O-NE2 3.11Å; D52-Q55 PolarHBondContact O-N 3.35Å |
| 56 | G | 57 | Low | 57.4 | Low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | | | trans | -101.8 | 35.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V54 | V54-G56 VanDerWaalsContact C-N 3.31Å; V54-G56 PolarHBondContact O-N 3.44Å |
| 57 | L | 44.9 | Very low | 57.6 | Low | 233 Ų | 233 | 114.4 Ų | 114.4 | 100% | 1.22 | 67% | 0.67 | S | S | * | * | | | trans | -118.2 | 0 | 172.5 | -87.1 | 167 | 0 | 0 | 0 | 111.5 | | |