| 1 | M | 25.2 | Very low | 31.8 | Very low | 228 Ų | 228 | 132.3 Ų | 132.3 | 100% | 1.123 | 82% | 0.821 | S | S | * | * | | | | 0 | 135.8 | 0 | -66.1 | 94.8 | 136.6 | 0 | 0 | 108.9 | | |
| 2 | N | 33.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -173.9 | 104.5 | 145.3 | -89.4 | -30.4 | 0 | 0 | 0 | 107.8 | | |
| 3 | A | 34.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | -78.4 | 119.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G5 | A3-G5 PolarHBondContact O-N 3.25Š|
| 4 | G | 28.8 | Very low | 31.9 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 108.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | G | 27.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -64.4 | 128.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A3 P7 | A3-G5 PolarHBondContact O-N 3.25Å; G5-P7 WeakPolarHBondContact O-CD 3.48Å |
| 6 | V | 39.4 | Very low | 31.7 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 70% | 0.697 | 81% | 0.809 | S | S | * | * | | | trans | -75.9 | 118.6 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | N8 | V6-N8 PolarHBondContact O-N 3.26Š|
| 7 | P | 34.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -74.2 | 92.1 | 177.5 | 28.7 | -31.2 | 0 | 0 | 0 | 109.3 | G5 | G5-P7 WeakPolarHBondContact O-CD 3.48Š|
| 8 | N | 35.5 | Very low | 32.1 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -106.9 | 43.5 | 177.9 | 69.4 | -14.2 | 0 | 0 | 0 | 111.7 | V6 | V6-N8 PolarHBondContact O-N 3.26Š|
| 9 | T | 30.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -117.9 | 93.1 | 173.6 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | K11 | T9-K11 PolarHBondContact O-N 2.74Š|
| 10 | C | 33 | Very low | 32.3 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | 95.7 | 167.9 | -54.2 | 0 | 0 | 0 | 0 | 107.5 | S12 | C10-S12 PolarHBondContact O-N 2.85Š|
| 11 | K | 27.7 | Very low | 32.7 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -81.9 | 105 | 174.5 | -133.9 | 170.5 | -175 | 176.1 | 0 | 108.6 | T9 N13 | T9-K11 PolarHBondContact O-N 2.74Å; K11-N13 PolarHBondContact O-N 3.33Å |
| 12 | S | 33.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -83.1 | 99.7 | 179.8 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | C10 | C10-S12 PolarHBondContact O-N 2.85Š|
| 13 | N | 30.8 | Very low | 33.8 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | | | trans | -110.6 | 64.4 | 170.1 | -77.3 | -19.2 | 0 | 0 | 0 | 110.5 | K11 V15 | K11-N13 PolarHBondContact O-N 3.33Å; N13-V15 PolarHBondContact O-N 2.97Å |
| 14 | G | 32.6 | Very low | 34.2 | Very low | 85 Ų | 85 | 123.2 Ų | 123.2 | 88% | 0.876 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 62.3 | -23.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 15 | V | 31.5 | Very low | 35 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 72% | 0.721 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -150.9 | 126.7 | -176.8 | -169.2 | 0 | 0 | 0 | 0 | 106.5 | N13 | N13-V15 PolarHBondContact O-N 2.97Š|
| 16 | L | 28.8 | Very low | 35.8 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | | | trans | 96.1 | 125 | 175 | -48 | -179.7 | 0 | 0 | 0 | 118.3 | | |
| 17 | K | 39.8 | Very low | 36 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | | | trans | -132.6 | 79.9 | 151.9 | -80.4 | -168.9 | 178.7 | 176.6 | 0 | 108.1 | C19 | K17-C19 PolarHBondContact O-N 2.87Š|
| 18 | E | 30.5 | Very low | 36.6 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | | | trans | -73.7 | 92.3 | 147.5 | -162.1 | 168.1 | -155.6 | 0 | 0 | 104.3 | | |
| 19 | C | 38 | Very low | 36.7 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 41% | 0.405 | 68% | 0.676 | S | S | . | * | | | trans | -78.7 | 122.2 | 169.7 | -68.8 | 0 | 0 | 0 | 0 | 105.6 | K17 F21 | K17-C19 PolarHBondContact O-N 2.87Å; C19-F21 HydrophobicContact CB-CD2 3.63Å; C19-F21 HydrophobicContact CB-CE2 4.04Å; C19-F21 PolarHBondContact O-N 2.83Å |
| 20 | D | 31.6 | Very low | 37.3 | Very low | 158 Ų | 158 | 119 Ų | 119 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | | | trans | -67.6 | 54.1 | 171.9 | -65.2 | -45.3 | 0 | 0 | 0 | 111.5 | G22 | D20-G22 VanDerWaalsContact C-N 3.34Å; D20-G22 PolarHBondContact O-N 3Å |
| 21 | F | 39.5 | Very low | 38.1 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 57% | 0.566 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -77.2 | 94.5 | 152 | -74.5 | -78.5 | 0 | 0 | 0 | 105.1 | C19 Q23 M24 | C19-F21 HydrophobicContact CB-CD2 3.63Å; C19-F21 HydrophobicContact CB-CE2 4.04Å; C19-F21 PolarHBondContact O-N 2.83Å; F21-Q23 PolarHBondContact O-N 3.44Å; F21-Q23 VanDerWaalsContact O-N 3.13Å; F21-M24 HydrophobicContact CB-CE 3.71Å; F21-M24 HydrophobicContact CG-CE 4.45Å; F21-M24 PolarHBondContact O-N 2.97Å; F21-M24 VanDerWaalsContact O-N 3.08Å |
| 22 | G | 37.6 | Very low | 38.7 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -19.4 | 110.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D20 M24 | D20-G22 VanDerWaalsContact C-N 3.34Å; D20-G22 PolarHBondContact O-N 3Å; G22-M24 PolarHBondContact O-N 3.11Å |
| 23 | Q | 44.9 | Very low | 39.5 | Very low | 202 Ų | 202 | 120.1 Ų | 120.1 | 94% | 0.944 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.2 | 24.1 | 172.5 | -53.6 | -171.2 | 27.5 | 0 | 0 | 117.6 | F21 | F21-Q23 PolarHBondContact O-N 3.44Å; F21-Q23 VanDerWaalsContact O-N 3.13Å |
| 24 | M | 42.7 | Very low | 40.1 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 40% | 0.399 | 67% | 0.669 | S | S | . | * | | | trans | -90.4 | 107.3 | 167.8 | -79.9 | -177 | -90.3 | 0 | 0 | 110.5 | F21 G22 F26 M35 | F21-M24 HydrophobicContact CB-CE 3.71Å; F21-M24 HydrophobicContact CG-CE 4.45Å; F21-M24 PolarHBondContact O-N 2.97Å; F21-M24 VanDerWaalsContact O-N 3.08Å; G22-M24 PolarHBondContact O-N 3.11Å; M24-F26 HydrophobicContact CB-CD2 4.39Å; M24-F26 HydrophobicContact CB-CE2 3.61Å; M24-F26 HydrophobicContact CB-CZ 4.05Å; M24-F26 WeakPolarHBondContact O-CD2 3.42Å; M24-F26 HydrophobicContact SD-CZ 4.32Å; M24-M35 HydrophobicContact SD-CE 4.48Å |
| 25 | T | 44.4 | Very low | 40.8 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 41% | 0.411 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 128 | 172.6 | -41 | 0 | 0 | 0 | 0 | 109.9 | I36 | T25-I36 PolarHBondContact O-N 3.21Å |
| 26 | F | 45.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 40% | 0.399 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.2 | 176.1 | -64.8 | -92.8 | 0 | 0 | 0 | 109.7 | M24 Y33 R34 M35 | M24-F26 HydrophobicContact CB-CD2 4.39Å; M24-F26 HydrophobicContact CB-CE2 3.61Å; M24-F26 HydrophobicContact CB-CZ 4.05Å; M24-F26 WeakPolarHBondContact O-CD2 3.42Å; M24-F26 HydrophobicContact SD-CZ 4.32Å; F26-Y33 HydrophobicContact CB-CD1 4.19Å; F26-R34 WeakPolarHBondContact CA-O 3.34Å; F26-M35 HydrophobicContact CD1-CB 4.35Å; F26-M35 HydrophobicContact CE1-CB 4.18Å; F26-M35 HydrophobicContact CE1-CG 4.46Å |
| 27 | E | 42.1 | Very low | 42.5 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.5 | 169.6 | -79 | -163.7 | 166.8 | 0 | 0 | 111.2 | Y33 R34 I36 | E27-Y33 CarbonylContact O-C 3.58Å; E27-Y33 WeakPolarHBondContact O-CA 3.36Å; E27-R34 PolarHBondContact N-O 2.67Å; E27-R34 PolarHBondContact O-N 3.28Å; E27-I36 HydrophobicContact CB-CD1 3.98Å; E27-I36 HydrophobicContact CB-CG1 4.47Å; E27-I36 HydrophobicContact CG-CD1 3.55Å; E27-I36 HydrophobicContact CG-CG1 4.35Å; E27-I36 WeakPolarHBondContact OE2-CD1 3.43Å |
| 28 | L | 48.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90 | 108.6 | 172.3 | -85.8 | 161.5 | 0 | 0 | 0 | 109.1 | Y33 | L28-Y33 HydrophobicContact CD1-CD1 4.37Å; L28-Y33 HydrophobicContact CD1-CE1 3.59Å; L28-Y33 HydrophobicContact CD2-CD1 3.68Å; L28-Y33 HydrophobicContact CD2-CD2 3.86Å; L28-Y33 HydrophobicContact CD2-CE1 3.46Å; L28-Y33 VanDerWaalsContact CD2-CE1 3.46Å; L28-Y33 HydrophobicContact CD2-CE2 3.63Å; L28-Y33 HydrophobicContact CD2-CG 3.89Å; L28-Y33 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y33 HydrophobicContact CG-CD1 3.63Å; L28-Y33 HydrophobicContact CG-CE1 3.34Å; L28-Y33 HydrophobicContact CG-CE2 4.45Å; L28-Y33 HydrophobicContact CG-CG 4.32Å |
| 29 | S | 38.2 | Very low | 43.4 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.6 | 126 | 173 | 177 | 0 | 0 | 0 | 0 | 110.1 | G31 R32 | S29-G31 PolarHBondContact O-N 2.89Å; S29-R32 PolarHBondContact N-O 3.22Å; S29-R32 VanDerWaalsContact N-O 3.14Å; S29-R32 PolarHBondContact O-N 2.85Å; S29-R32 VanDerWaalsContact O-N 3.14Å |
| 30 | G | 43.1 | Very low | 43.3 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 30.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 31 | G | 48.7 | Very low | 43.5 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.2 | 8.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S29 | S29-G31 PolarHBondContact O-N 2.89Š|
| 32 | R | 40.4 | Very low | 43.4 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 76% | 0.755 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.4 | 175.3 | -71.1 | -178.2 | -76.3 | 169.3 | -4.4 | 110.5 | S29 | S29-R32 PolarHBondContact N-O 3.22Å; S29-R32 VanDerWaalsContact N-O 3.14Å; S29-R32 PolarHBondContact O-N 2.85Å; S29-R32 VanDerWaalsContact O-N 3.14Å |
| 33 | Y | 50.9 | Low | 43.2 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.6 | 170.6 | -69.4 | -88.3 | 0 | 0 | 0 | 109.2 | F26 E27 L28 | F26-Y33 HydrophobicContact CB-CD1 4.19Å; E27-Y33 CarbonylContact O-C 3.58Å; E27-Y33 WeakPolarHBondContact O-CA 3.36Å; L28-Y33 HydrophobicContact CD1-CD1 4.37Å; L28-Y33 HydrophobicContact CD1-CE1 3.59Å; L28-Y33 HydrophobicContact CD2-CD1 3.68Å; L28-Y33 HydrophobicContact CD2-CD2 3.86Å; L28-Y33 HydrophobicContact CD2-CE1 3.46Å; L28-Y33 VanDerWaalsContact CD2-CE1 3.46Å; L28-Y33 HydrophobicContact CD2-CE2 3.63Å; L28-Y33 HydrophobicContact CD2-CG 3.89Å; L28-Y33 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y33 HydrophobicContact CG-CD1 3.63Å; L28-Y33 HydrophobicContact CG-CE1 3.34Å; L28-Y33 HydrophobicContact CG-CE2 4.45Å; L28-Y33 HydrophobicContact CG-CG 4.32Å |
| 34 | R | 42.4 | Very low | 42.8 | Very low | 189 Ų | 189 | 123 Ų | 123 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.1 | 170.4 | -175.6 | -176.8 | -89.1 | -162.9 | -4.6 | 108.6 | F26 E27 | F26-R34 WeakPolarHBondContact CA-O 3.34Å; E27-R34 PolarHBondContact N-O 2.67Å; E27-R34 PolarHBondContact O-N 3.28Å |
| 35 | M | 47.8 | Very low | 42.4 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.7 | 170 | -175.3 | -148.5 | -62.5 | 0 | 0 | 108.5 | M24 F26 Q37 | M24-M35 HydrophobicContact SD-CE 4.48Å; F26-M35 HydrophobicContact CD1-CB 4.35Å; F26-M35 HydrophobicContact CE1-CB 4.18Å; F26-M35 HydrophobicContact CE1-CG 4.46Å; M35-Q37 HydrophobicContact SD-CG 3.97Å |
| 36 | I | 48.5 | Very low | 41.5 | Very low | 69 Ų | 69 | 135 Ų | 135 | 35% | 0.354 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 103.1 | 173.9 | -56 | -165.8 | 0 | 0 | 0 | 107.4 | T25 E27 R38 | T25-I36 PolarHBondContact O-N 3.21Å; E27-I36 HydrophobicContact CB-CD1 3.98Å; E27-I36 HydrophobicContact CB-CG1 4.47Å; E27-I36 HydrophobicContact CG-CD1 3.55Å; E27-I36 HydrophobicContact CG-CG1 4.35Å; E27-I36 WeakPolarHBondContact OE2-CD1 3.43Å; I36-R38 PolarHBondContact O-N 3.11Å; I36-R38 VanDerWaalsContact O-N 3.14Å |
| 37 | Q | 47.1 | Very low | 40.7 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 60% | 0.598 | 69% | 0.688 | S | S | * | * | | | trans | -66.1 | 108 | 172.7 | -72.7 | 178.1 | -29 | 0 | 0 | 108.2 | M35 E39 | M35-Q37 HydrophobicContact SD-CG 3.97Å; Q37-E39 PolarHBondContact O-N 2.8Å |
| 38 | R | 47.1 | Very low | 40.3 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | | | trans | -83.4 | 106.3 | 167.1 | -157.3 | -178.2 | -61.7 | -171.8 | 3.1 | 107.4 | I36 K40 | I36-R38 PolarHBondContact O-N 3.11Å; I36-R38 VanDerWaalsContact O-N 3.14Å; R38-K40 PolarHBondContact O-N 3.12Å |
| 39 | E | 42.2 | Very low | 39.6 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | trans | -70.7 | 52.8 | -175.9 | -154.8 | 173.4 | -150.7 | 0 | 0 | 112.3 | Q37 Q42 | Q37-E39 PolarHBondContact O-N 2.8Å; E39-Q42 HydrophobicContact CG-CG 4.26Å; E39-Q42 PolarHBondContact OE1-NE2 2.75Å |
| 40 | K | 37 | Very low | 39.4 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -98.1 | 99.9 | 170.8 | -145.5 | 177.7 | -178 | -173.5 | 0 | 107.7 | R38 | R38-K40 PolarHBondContact O-N 3.12Š|
| 41 | E | 35.1 | Very low | 38.8 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | | | trans | 76.5 | 67.9 | 170.7 | -56.6 | -179.1 | 167 | 0 | 0 | 115.7 | S43 | E41-S43 PolarHBondContact O-N 2.79Š|
| 42 | Q | 36.5 | Very low | 37.8 | Very low | 154 Ų | 154 | 158.1 Ų | 158.1 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 12.3 | 162.2 | -81.4 | -174.1 | 19.1 | 0 | 0 | 114.9 | E39 | E39-Q42 HydrophobicContact CG-CG 4.26Å; E39-Q42 PolarHBondContact OE1-NE2 2.75Å |
| 43 | S | 35 | Very low | 37.6 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -4 | -167 | 57.5 | 0 | 0 | 0 | 0 | 117.4 | E41 | E41-S43 PolarHBondContact O-N 2.79Š|
| 44 | A | 34.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 151.9 Ų | 151.9 | 69% | 0.686 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -135.9 | -17.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 45 | L | 34.5 | Very low | 36.6 | Very low | 161 Ų | 161 | 149 Ų | 149 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | | | trans | -120.2 | 85.7 | -171.5 | -62.2 | 177.8 | 0 | 0 | 0 | 112 | W47 | L45-W47 PolarHBondContact O-N 2.95Å; L45-W47 VanDerWaalsContact O-N 3.08Å |
| 46 | R | 27.4 | Very low | 35.8 | Very low | 240 Ų | 240 | 155.1 Ų | 155.1 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | | | trans | -45.7 | 111.5 | 160.8 | -178 | 171.3 | 177.4 | -96.8 | 6.3 | 109.9 | | |
| 47 | W | 27.5 | Very low | 35 | Very low | 187 Ų | 187 | 155 Ų | 155 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | trans | -37 | 123.4 | -178.8 | -65.3 | 83.6 | 0 | 0 | 0 | 114.1 | L45 R49 | L45-W47 PolarHBondContact O-N 2.95Å; L45-W47 VanDerWaalsContact O-N 3.08Å; W47-R49 PolarHBondContact O-N 2.91Å |
| 48 | P | 34.2 | Very low | 34.7 | Very low | 112 Ų | 112 | 160.1 Ų | 160.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -66.6 | 117.4 | 167.2 | 7.6 | -1.4 | 0 | 0 | 0 | 109.4 | V50 | P48-V50 WeakPolarHBondContact O-CG2 3.29Å; P48-V50 PolarHBondContact O-N 2.83Å |
| 49 | R | 33.4 | Very low | 34.3 | Very low | 227 Ų | 227 | 158.9 Ų | 158.9 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -52.2 | 97 | 173.7 | -176.7 | 178.9 | -89.3 | -162.6 | -7.5 | 110.6 | W47 R51 | W47-R49 PolarHBondContact O-N 2.91Å; R49-R51 PolarHBondContact O-N 3.46Å |
| 50 | V | 33.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 158.7 Ų | 158.7 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | -74 | 106.3 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | P48 | P48-V50 WeakPolarHBondContact O-CG2 3.29Å; P48-V50 PolarHBondContact O-N 2.83Å |
| 51 | R | 31.2 | Very low | 34 | Very low | 222 Ų | 222 | 163.3 Ų | 163.3 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -92.2 | 115.3 | 164.3 | -109.4 | -174.5 | -77 | -162.7 | -2.2 | 108.5 | R49 | R49-R51 PolarHBondContact O-N 3.46Š|
| 52 | L | 27.3 | Very low | 34.1 | Very low | 169 Ų | 169 | 158.1 Ų | 158.1 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -68 | 134 | 162.5 | -141.9 | 75.5 | 0 | 0 | 0 | 108 | | |
| 53 | A | 35.7 | Very low | 34.4 | Very low | 81 Ų | 81 | 156.7 Ų | 156.7 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | S | Bend | cis | -146.9 | 125.4 | 4.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 54 | N | 34 | Very low | 34.7 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | | -174.5 | 128.7 | 120.8 | -101.2 | -2 | 0 | 0 | 0 | 107.6 | Y56 | N54-Y56 PolarHBondContact O-N 3.22Š|
| 55 | S | 38.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 163.3 Ų | 163.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -68.1 | 44.4 | 175.2 | -36.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 56 | Y | 31.5 | Very low | 35.1 | Very low | 215 Ų | 215 | 162.5 Ų | 162.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -147.4 | 86.9 | 172 | -120.1 | -95.7 | 0 | 0 | 0 | 106.3 | N54 | N54-Y56 PolarHBondContact O-N 3.22Š|
| 57 | G | 31.4 | Very low | 35.7 | Very low | 66 Ų | 66 | 155 Ų | 155 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | -67.6 | 136 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 58 | R | 40.2 | Very low | 36.4 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | 63.4 | 95.9 | 137.2 | -53.4 | -162.1 | -160 | -72.5 | 0 | 118.3 | | |
| 59 | Q | 39.2 | Very low | 36.5 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -161.4 | 119.2 | 138.1 | 36.8 | -150.8 | 36.1 | 0 | 0 | 106.3 | | |
| 60 | Q | 39.2 | Very low | 37.3 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | | | cis | -172.8 | 106.8 | 9.7 | -160.8 | 164.8 | -19.2 | 0 | 0 | 106 | G62 | Q60-G62 PolarHBondContact O-N 3.02Š|
| 61 | W | 34.4 | Very low | 38 | Very low | 274 Ų | 274 | 145.6 Ų | 145.6 | 100% | 1.038 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -79.5 | 56.5 | 173.7 | -95.4 | 90.8 | 0 | 0 | 0 | 110.8 | | |
| 62 | G | 37.7 | Very low | 38.6 | Very low | 52 Ų | 52 | 138.6 Ų | 138.6 | 54% | 0.536 | 77% | 0.768 | S | S | . | * | | | trans | -177.4 | 60.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q60 | Q60-G62 PolarHBondContact O-N 3.02Š|
| 63 | I | 41.9 | Very low | 39.6 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -138.2 | 67.7 | 147.9 | -49.7 | -178.8 | 0 | 0 | 0 | 107.3 | H65 | I63-H65 PolarHBondContact O-N 3.2Š|
| 64 | L | 41.5 | Very low | 40.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | -79.1 | 75.4 | 153.4 | -77.3 | 172.5 | 0 | 0 | 0 | 107.1 | | |
| 65 | H | 37.4 | Very low | 40.8 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | -152.4 | 94.9 | 152.8 | -76.5 | -56.7 | 0 | 0 | 0 | 107 | I63 | I63-H65 PolarHBondContact O-N 3.2Š|
| 66 | N | 39.4 | Very low | 41.2 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -65.5 | 135.4 | 177.6 | -65.1 | -34.1 | 0 | 0 | 0 | 110.4 | | |
| 67 | G | 40.6 | Very low | 41.5 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | 163 | -4.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 68 | G | 41.6 | Very low | 41.7 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -125.2 | 126.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P70 | G68-P70 WeakPolarHBondContact O-CD 3.46Š|
| 69 | N | 38.1 | Very low | 42 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -39 | 108.2 | -159.1 | -156.5 | 32.8 | 0 | 0 | 0 | 115.5 | | |
| 70 | P | 48.9 | Very low | 42.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 53% | 0.526 | 77% | 0.772 | S | S | . | * | | | trans | -106.5 | 99.4 | 175.1 | 34.3 | -20.8 | 0 | 0 | 0 | 109.7 | G68 A72 | G68-P70 WeakPolarHBondContact O-CD 3.46Å; P70-A72 PolarHBondContact O-N 3.14Å |
| 71 | D | 48.7 | Very low | 42.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -85.2 | 94.1 | 157.8 | -106.7 | -27.1 | 0 | 0 | 0 | 108.8 | A73 | D71-A73 PolarHBondContact O-N 3.19Š|
| 72 | A | 45.1 | Very low | 43.2 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | | | trans | -64.8 | 95.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P70 T74 | P70-A72 PolarHBondContact O-N 3.14Å; A72-T74 VanDerWaalsContact C-N 3.25Å; A72-T74 PolarHBondContact O-N 3.14Å; A72-T74 PolarHBondContact O-OG1 2.86Å |
| 73 | A | 48 | Very low | 43.3 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | | | trans | -63.8 | 89.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D71 P75 | D71-A73 PolarHBondContact O-N 3.19Å; A73-P75 VanDerWaalsContact O-CD 3.29Å; A73-P75 WeakPolarHBondContact O-CD 3.4Å |
| 74 | T | 46.2 | Very low | 43.1 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | -67.8 | 118.4 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | A72 R76 | A72-T74 VanDerWaalsContact C-N 3.25Å; A72-T74 PolarHBondContact O-N 3.14Å; A72-T74 PolarHBondContact O-OG1 2.86Å; T74-R76 PolarHBondContact O-N 3.09Å; T74-R76 VanDerWaalsContact O-N 3.11Å |
| 75 | P | 48.8 | Very low | 43.1 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -72.2 | 108.1 | -179.9 | -13.8 | 28.8 | 0 | 0 | 0 | 109.9 | A73 G77 | A73-P75 VanDerWaalsContact O-CD 3.29Å; A73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-G77 PolarHBondContact O-N 3.19Å; P75-G77 VanDerWaalsContact O-N 3.13Å |
| 76 | R | 44.9 | Very low | 43.3 | Very low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | | | trans | -64.3 | 112.5 | 173.5 | -67.7 | -175.7 | 174.5 | -159.7 | -1.2 | 108.9 | T74 G78 | T74-R76 PolarHBondContact O-N 3.09Å; T74-R76 VanDerWaalsContact O-N 3.11Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-G78 PolarHBondContact O-N 3.09Å |
| 77 | G | 39.1 | Very low | 43.6 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | | | trans | -64.4 | 85.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P75 R79 | P75-G77 PolarHBondContact O-N 3.19Å; P75-G77 VanDerWaalsContact O-N 3.13Å; G77-R79 PolarHBondContact O-N 2.99Å |
| 78 | G | 35.2 | Very low | 44 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -87.7 | 94.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R76 R80 | R76-G78 VanDerWaalsContact C-N 3.34Å; R76-G78 PolarHBondContact O-N 3.09Å; G78-R80 PolarHBondContact O-N 3.09Å; G78-R80 VanDerWaalsContact O-N 3.09Å |
| 79 | R | 45.7 | Very low | 44.1 | Very low | 246 Ų | 246 | 136.6 Ų | 136.6 | 93% | 0.928 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 98.4 | 166.6 | -68.8 | -177 | 178.4 | -135.2 | 1.7 | 108.8 | G77 S81 | G77-R79 PolarHBondContact O-N 2.99Å; R79-S81 PolarHBondContact O-N 3.45Å |
| 80 | R | 46.7 | Very low | 44.5 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -82.1 | 90.9 | 164.4 | -67.1 | -155.9 | 179.3 | -163.9 | 1.6 | 108.4 | G78 S82 | G78-R80 PolarHBondContact O-N 3.09Å; G78-R80 VanDerWaalsContact O-N 3.09Å; R80-S82 PolarHBondContact O-N 2.9Å |
| 81 | S | 40.7 | Very low | 44.1 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -53.3 | 102.8 | 155.6 | 39.4 | 0 | 0 | 0 | 0 | 107.6 | R79 | R79-S81 PolarHBondContact O-N 3.45Š|
| 82 | S | 51 | Low | 44.1 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -84.5 | 114.8 | 165.3 | 43.8 | 0 | 0 | 0 | 0 | 106.3 | R80 C84 | R80-S82 PolarHBondContact O-N 2.9Å; S82-C84 PolarHBondContact O-N 2.94Å |
| 83 | D | 39.5 | Very low | 43.7 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | | | trans | -65.3 | 55.7 | 175.4 | -68.9 | -69.4 | 0 | 0 | 0 | 112.2 | K85 | D83-K85 PolarHBondContact O-N 2.82Š|
| 84 | C | 38.9 | Very low | 43.1 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | | | trans | -73.5 | 65.7 | 161.5 | -68.1 | 0 | 0 | 0 | 0 | 108.1 | S82 L86 | S82-C84 PolarHBondContact O-N 2.94Å; C84-L86 PolarHBondContact O-N 3.27Å |
| 85 | K | 41.5 | Very low | 43.1 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | -50.4 | 124.6 | 162.1 | -71.3 | 170.9 | -177.4 | 168.9 | 0 | 106.2 | D83 L87 | D83-K85 PolarHBondContact O-N 2.82Å; K85-L87 HydrophobicContact CB-CG 4.27Å; K85-L87 PolarHBondContact O-N 2.84Å |
| 86 | L | 40.5 | Very low | 42.5 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -60.3 | 59 | 177.6 | -68.2 | 174.1 | 0 | 0 | 0 | 112.4 | C84 L88 | C84-L86 PolarHBondContact O-N 3.27Å; L86-L88 PolarHBondContact O-N 3.18Å |
| 87 | L | 46 | Very low | 42.3 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 1.4 | 177 | -68.7 | 179.3 | 0 | 0 | 0 | 112.5 | K85 | K85-L87 HydrophobicContact CB-CG 4.27Å; K85-L87 PolarHBondContact O-N 2.84Å |
| 88 | L | 48.1 | Very low | 42.2 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11.1 | 173.8 | -128.4 | 110.8 | 0 | 0 | 0 | 113.9 | L86 | L86-L88 PolarHBondContact O-N 3.18Š|
| 89 | L | 45.5 | Very low | 42.4 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.3 | -9 | 178.8 | -101.3 | 153.2 | 0 | 0 | 0 | 114.3 | | |
| 90 | R | 46.3 | Very low | 42.4 | Very low | 226 Ų | 226 | 147.7 Ų | 147.7 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -106 | 6.7 | -174.7 | -145 | -176.3 | -174.2 | -125.1 | 1 | 115.7 | | |
| 91 | K | 40.7 | Very low | 42.1 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -132.6 | 36.1 | 179.7 | -146.8 | 167.5 | -177.5 | 176.7 | 0 | 114 | M93 | K91-M93 HydrophobicContact CG-CB 4.5Å; K91-M93 HydrophobicContact CG-CG 4.13Å; K91-M93 HydrophobicContact CG-SD 4.48Å; K91-M93 PolarHBondContact O-N 2.84Å |
| 92 | I | 47.8 | Very low | 42.3 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -73.1 | 64.1 | 143 | -52.1 | 173.4 | 0 | 0 | 0 | 105.8 | T94 | I92-T94 HydrophobicContact CG2-CG2 4.34Å; I92-T94 PolarHBondContact O-N 2.66Å |
| 93 | M | 35.8 | Very low | 42.5 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | | | trans | -72.7 | 91.7 | 161.5 | -78.7 | -170.6 | 76.8 | 0 | 0 | 104.5 | K91 V95 | K91-M93 HydrophobicContact CG-CB 4.5Å; K91-M93 HydrophobicContact CG-CG 4.13Å; K91-M93 HydrophobicContact CG-SD 4.48Å; K91-M93 PolarHBondContact O-N 2.84Å; M93-V95 VanDerWaalsContact C-N 3.26Å; M93-V95 PolarHBondContact O-N 3.13Å |
| 94 | T | 36.3 | Very low | 43 | Very low | 119 Ų | 119 | 148 Ų | 148 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -41.5 | 95.1 | 157.6 | 39.5 | 0 | 0 | 0 | 0 | 108.8 | I92 L96 | I92-T94 HydrophobicContact CG2-CG2 4.34Å; I92-T94 PolarHBondContact O-N 2.66Å; T94-L96 PolarHBondContact O-N 3.27Å |
| 95 | V | 45.5 | Very low | 43.8 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -71.8 | 73.4 | 154.9 | -175.8 | 0 | 0 | 0 | 0 | 105 | M93 N97 | M93-V95 VanDerWaalsContact C-N 3.26Å; M93-V95 PolarHBondContact O-N 3.13Å; V95-N97 PolarHBondContact O-N 2.94Å |
| 96 | L | 37.2 | Very low | 44 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | -61.8 | 114.5 | 154.9 | -177.6 | 91.5 | 0 | 0 | 0 | 104.7 | T94 | T94-L96 PolarHBondContact O-N 3.27Š|
| 97 | N | 40 | Very low | 44.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | | | trans | 133.4 | 108.4 | 176.2 | -82.9 | -58.7 | 0 | 0 | 0 | 105 | V95 | V95-N97 PolarHBondContact O-N 2.94Š|
| 98 | K | 38 | Very low | 44.4 | Very low | 177 Ų | 177 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | cis | -156.2 | 126.3 | 48.3 | -52.4 | 177.2 | -168.8 | 173.3 | 0 | 107.5 | V100 | K98-V100 HydrophobicContact CB-CG2 3.94Å; K98-V100 PolarHBondContact O-N 3.14Å |
| 99 | E | 39.6 | Very low | 44.6 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | | | trans | -63.2 | 84.2 | 161.1 | -173.8 | 174.8 | 153.2 | 0 | 0 | 107.5 | | |
| 100 | V | 45 | Very low | 44.5 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | | | trans | -96.7 | 110.5 | 168 | 174.1 | 0 | 0 | 0 | 0 | 105.4 | K98 A102 | K98-V100 HydrophobicContact CB-CG2 3.94Å; K98-V100 PolarHBondContact O-N 3.14Å; V100-A102 PolarHBondContact O-N 2.8Å |
| 101 | T | 40.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | trans | -54.1 | 74.8 | 171.8 | 42.3 | 0 | 0 | 0 | 0 | 111.2 | N103 | T101-N103 PolarHBondContact O-N 3.34Š|
| 102 | A | 43.5 | Very low | 44.3 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | | | trans | -86.5 | 97.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V100 Y104 | V100-A102 PolarHBondContact O-N 2.8Å; A102-Y104 PolarHBondContact O-N 2.76Å |
| 103 | N | 55.8 | Low | 43.9 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | trans | 2.1 | 106.9 | 158.9 | -84.5 | -48.1 | 0 | 0 | 0 | 115.1 | T101 V105 | T101-N103 PolarHBondContact O-N 3.34Å; N103-V105 PolarHBondContact O-N 3.44Å |
| 104 | Y | 50.7 | Low | 43.8 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 82% | 0.816 | 74% | 0.739 | S | S | * | * | | | trans | -56.3 | 105.7 | 166 | 176.3 | -100.5 | 0 | 0 | 0 | 109.5 | A102 P106 | A102-Y104 PolarHBondContact O-N 2.76Å; Y104-P106 HydrophobicContact CE1-CB 4.1Å; Y104-P106 WeakPolarHBondContact O-CD 3.34Å |
| 105 | V | 54.9 | Low | 43.9 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 61% | 0.606 | 74% | 0.737 | S | S | * | * | | | trans | -91.8 | 111.6 | 171.8 | 178.2 | 0 | 0 | 0 | 0 | 107 | N103 A107 A109 | N103-V105 PolarHBondContact O-N 3.44Å; V105-A107 PolarHBondContact O-N 3.33Å; V105-A109 HydrophobicContact CG1-CB 3.9Å |
| 106 | P | 46 | Very low | 43.8 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 46% | 0.455 | 74% | 0.74 | S | S | . | * | | | trans | -63 | 137.4 | -175.7 | 23.8 | -31.6 | 0 | 0 | 0 | 110.2 | Y104 A108 A109 | Y104-P106 HydrophobicContact CE1-CB 4.1Å; Y104-P106 WeakPolarHBondContact O-CD 3.34Å; P106-A108 PolarHBondContact O-N 3.34Å; P106-A109 PolarHBondContact O-N 3.41Å |
| 107 | A | 48.9 | Very low | 44.1 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -50.8 | -21.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V105 A109 V110 | V105-A107 PolarHBondContact O-N 3.33Å; A107-A109 PolarHBondContact O-N 3.11Å; A107-V110 PolarHBondContact O-N 2.76Å; A107-V110 VanDerWaalsContact O-N 3.11Å |
| 108 | A | 45.8 | Very low | 44.1 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -61.3 | -20.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P106 | P106-A108 PolarHBondContact O-N 3.34Š|
| 109 | A | 51.5 | Low | 44.6 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 56% | 0.562 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -86.4 | -10.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V105 P106 A107 K111 | V105-A109 HydrophobicContact CG1-CB 3.9Å; P106-A109 PolarHBondContact O-N 3.41Å; A107-A109 PolarHBondContact O-N 3.11Å; A109-K111 PolarHBondContact O-N 3.08Å; A109-K111 VanDerWaalsContact O-N 3.11Å |
| 110 | V | 44.7 | Very low | 44.5 | Very low | 99 Ų | 99 | 116.2 Ų | 116.2 | 60% | 0.6 | 74% | 0.737 | S | S | * | * | | | trans | -85.1 | 89.2 | -178 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | A107 Q112 | A107-V110 PolarHBondContact O-N 2.76Å; A107-V110 VanDerWaalsContact O-N 3.11Å; V110-Q112 PolarHBondContact O-N 2.69Å; V110-Q112 VanDerWaalsContact O-N 3.12Å |
| 111 | K | 40.7 | Very low | 44.2 | Very low | 191 Ų | 191 | 116.9 Ų | 116.9 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | -62.7 | 112.8 | 164.2 | -77 | 179 | -178.4 | 170.8 | 0 | 107.7 | A109 V113 | A109-K111 PolarHBondContact O-N 3.08Å; A109-K111 VanDerWaalsContact O-N 3.11Å; K111-V113 PolarHBondContact O-N 3.13Å |
| 112 | Q | 41.9 | Very low | 44.2 | Very low | 190 Ų | 190 | 119.1 Ų | 119.1 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | trans | -63.7 | 84.3 | 173.7 | -64.2 | -177 | 34.1 | 0 | 0 | 109.3 | V110 G114 | V110-Q112 PolarHBondContact O-N 2.69Å; V110-Q112 VanDerWaalsContact O-N 3.12Å; Q112-G114 PolarHBondContact O-N 3.29Å |
| 113 | V | 38.9 | Very low | 44.1 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -74.1 | 105.1 | 161.9 | 172.6 | 0 | 0 | 0 | 0 | 105.3 | K111 G115 | K111-V113 PolarHBondContact O-N 3.13Å; V113-G115 PolarHBondContact O-N 2.93Å |
| 114 | G | 33.9 | Very low | 43.4 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | -55 | 133.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q112 | Q112-G114 PolarHBondContact O-N 3.29Š|
| 115 | G | 38.1 | Very low | 43 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | 148.1 | 95.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V113 | V113-G115 PolarHBondContact O-N 2.93Š|
| 116 | I | 42.9 | Very low | 42.6 | Very low | 163 Ų | 163 | 118.1 Ų | 118.1 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | | | trans | -46.6 | 128.7 | 173.9 | -62.9 | 166.8 | 0 | 0 | 0 | 108.4 | G118 | I116-G118 PolarHBondContact O-N 3.02Š|
| 117 | P | 43.9 | Very low | 42.4 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | trans | -59.3 | 105.2 | 178 | 22.5 | -30.5 | 0 | 0 | 0 | 107.9 | V119 | P117-V119 PolarHBondContact O-N 3.18Š|
| 118 | G | 40.8 | Very low | 42.5 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | trans | -58.2 | 103.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I116 A120 | I116-G118 PolarHBondContact O-N 3.02Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.08Å |
| 119 | V | 48.6 | Very low | 42.5 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -63 | 101 | 164.9 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | P117 V121 | P117-V119 PolarHBondContact O-N 3.18Å; V119-V121 PolarHBondContact O-N 2.95Å |
| 120 | A | 37 | Very low | 42 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -65.6 | 99.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108 | G118 | G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.08Å |
| 121 | V | 39.4 | Very low | 41.8 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -83.2 | 110.2 | 165.1 | -110.4 | 0 | 0 | 0 | 0 | 106.6 | V119 C123 | V119-V121 PolarHBondContact O-N 2.95Å; V121-C123 PolarHBondContact O-N 3.24Å; V121-C123 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 39.3 | Very low | 42.2 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -67.4 | 104.3 | 168.6 | -170.9 | -179.1 | 173.9 | 0 | 0 | 107.7 | V124 | E122-V124 PolarHBondContact O-N 3.02Å; E122-V124 VanDerWaalsContact O-N 3.09Å |
| 123 | C | 42.8 | Very low | 42.2 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 103.2 | 170.5 | -67.2 | 0 | 0 | 0 | 0 | 107.8 | V121 D125 | V121-C123 PolarHBondContact O-N 3.24Å; V121-C123 VanDerWaalsContact O-N 3.09Å; C123-D125 PolarHBondContact O-N 3.23Å |
| 124 | V | 40.7 | Very low | 42.6 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | trans | -69.6 | 111.1 | 165.3 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | E122 I126 | E122-V124 PolarHBondContact O-N 3.02Å; E122-V124 VanDerWaalsContact O-N 3.09Å; V124-I126 VanDerWaalsContact C-N 3.33Å; V124-I126 PolarHBondContact O-N 2.81Å |
| 125 | D | 43.1 | Very low | 42.8 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | -60.7 | 96.3 | 170.5 | -72.4 | -53.9 | 0 | 0 | 0 | 108.7 | C123 G127 | C123-D125 PolarHBondContact O-N 3.23Å; D125-G127 PolarHBondContact O-N 3.46Å |
| 126 | I | 46 | Very low | 42.8 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -67.2 | 95.1 | 166.6 | -57.5 | 178.8 | 0 | 0 | 0 | 105.4 | V124 R128 | V124-I126 VanDerWaalsContact C-N 3.33Å; V124-I126 PolarHBondContact O-N 2.81Å; I126-R128 PolarHBondContact O-N 3.29Å |
| 127 | G | 42.1 | Very low | 43 | Very low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | trans | -44.8 | 122.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | D125 N129 | D125-G127 PolarHBondContact O-N 3.46Å; G127-N129 PolarHBondContact O-N 2.96Å |
| 128 | R | 49.4 | Very low | 42.6 | Very low | 227 Ų | 227 | 124 Ų | 124 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -52.2 | 127.3 | 177.4 | -77.2 | 177.8 | 164.7 | 92.6 | -2.6 | 108.9 | I126 T130 | I126-R128 PolarHBondContact O-N 3.29Å; R128-T130 HydrophobicContact CB-CG2 4.45Å; R128-T130 PolarHBondContact O-N 3.22Å |
| 129 | N | 47.3 | Very low | 42.3 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -63.8 | 82.4 | 175.8 | -51.6 | -24 | 0 | 0 | 0 | 109.7 | G127 | G127-N129 PolarHBondContact O-N 2.96Š|
| 130 | T | 40.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | | | trans | -99.3 | 102.6 | 172.1 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | R128 | R128-T130 HydrophobicContact CB-CG2 4.45Å; R128-T130 PolarHBondContact O-N 3.22Å |
| 131 | S | 41.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | 163.4 | 80.8 | 148.3 | 43.8 | 0 | 0 | 0 | 0 | 109.3 | E133 | S131-E133 VanDerWaalsContact C-N 3.35Å; S131-E133 PolarHBondContact O-N 3.2Å |
| 132 | G | 47.4 | Very low | 42.1 | Very low | 84 Ų | 84 | 134.8 Ų | 134.8 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -87.3 | 84.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | G134 | G132-G134 PolarHBondContact O-N 2.98Š|
| 133 | E | 42.3 | Very low | 42.2 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -63.2 | 112.6 | 165.1 | -67.3 | -179.3 | 115.3 | 0 | 0 | 107.9 | S131 | S131-E133 VanDerWaalsContact C-N 3.35Å; S131-E133 PolarHBondContact O-N 3.2Å |
| 134 | G | 48.3 | Very low | 42.2 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -122.4 | 93.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G132 | G132-G134 PolarHBondContact O-N 2.98Š|
| 135 | G | 37.2 | Very low | 42.3 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | | | trans | -66.3 | 152.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L137 | G135-L137 PolarHBondContact O-N 3.29Š|
| 136 | L | 39.4 | Very low | 42.2 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | | | trans | -35.2 | 120.6 | 153.2 | -93.7 | 158 | 0 | 0 | 0 | 113.4 | | |
| 137 | L | 46.6 | Very low | 42 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -145.7 | 108.8 | 150.6 | -65.2 | 176.5 | 0 | 0 | 0 | 104.4 | G135 | G135-L137 PolarHBondContact O-N 3.29Š|
| 138 | G | 34.8 | Very low | 42 | Very low | 54 Ų | 54 | 138.9 Ų | 138.9 | 56% | 0.557 | 84% | 0.841 | S | S | * | * | | | cis | 95.1 | 100 | 28.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 139 | T | 34 | Very low | 41.3 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | | | trans | 69.2 | 137.7 | 161.8 | 70.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 140 | N | 36.9 | Very low | 40.8 | Very low | 234 Ų | 234 | 128.8 Ų | 128.8 | 100% | 1.251 | 84% | 0.837 | S | S | * | * | | | cis | -125.6 | 0 | 11.9 | -93.7 | -94.5 | 0 | 0 | 0 | 110.8 | | |