| 1 | M | 42.8 | Very low | 37.3 | Very low | 251 Ų | 251 | 138.1 Ų | 138.1 | 100% | 1.236 | 86% | 0.864 | S | S | * | * | | | | 0 | 122.7 | 0 | -70.9 | 167.7 | 171.2 | 0 | 0 | 106.8 | | |
| 2 | A | 34.2 | Very low | 37.4 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 87% | 0.865 | S | S | * | * | | | trans | -153.7 | 166.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 3 | A | 34.8 | Very low | 37.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 88% | 0.876 | 86% | 0.855 | S | S | * | * | | | trans | 83.4 | 130.9 | 172 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 4 | A | 41.3 | Very low | 36.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 89% | 0.893 | 86% | 0.856 | S | S | * | * | | | trans | -92.2 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 5 | G | 34.2 | Very low | 36.3 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | | | trans | -165.9 | 127.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 6 | R | 43.1 | Very low | 36 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | | | trans | -71.9 | 154.7 | 168.2 | -63.1 | 170.2 | -178.8 | -109 | 1.1 | 109.2 | | |
| 7 | G | 37.9 | Very low | 35.9 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | trans | -129.8 | 110 | 168 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 8 | D | 34.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | | | trans | -78.8 | 158.8 | -167.6 | -65.9 | -61.1 | 0 | 0 | 0 | 114.3 | | |
| 9 | S | 37.4 | Very low | 35.4 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -65.4 | 148.8 | 167.7 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 10 | S | 37.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -142.4 | 132.8 | 154.4 | -84 | 0 | 0 | 0 | 0 | 111.3 | | |
| 11 | F | 33 | Very low | 34.9 | Very low | 196 Ų | 196 | 145 Ų | 145 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.5 | -179.3 | -78.3 | -116.7 | 0 | 0 | 0 | 110.7 | | |
| 12 | K | 38.6 | Very low | 34.3 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 130.5 | 160.3 | -73 | -173.9 | 176.6 | -179.6 | 0 | 108.3 | | |
| 13 | V | 34 | Very low | 34.4 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 121.6 | -178.2 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | T15 | V13-T15 WeakPolarHBondContact CG1-OG1 3.46Å; V13-T15 PolarHBondContact O-N 3.23Å |
| 14 | D | 28.3 | Very low | 34.1 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -80.7 | 98.1 | 164.5 | -75.4 | -45.7 | 0 | 0 | 0 | 109.6 | | |
| 15 | T | 32.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -100.4 | 87.2 | 167.7 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | V13 | V13-T15 WeakPolarHBondContact CG1-OG1 3.46Å; V13-T15 PolarHBondContact O-N 3.23Å |
| 16 | C | 32.1 | Very low | 33.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | | | trans | -80.6 | 131.6 | 164.2 | -75 | 0 | 0 | 0 | 0 | 109.9 | C18 | C16-C18 PolarHBondContact O-N 2.94Š|
| 17 | P | 33.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | -82.8 | 101.7 | 175.9 | 32 | -31.4 | 0 | 0 | 0 | 110.2 | L19 | P17-L19 PolarHBondContact O-N 3.39Š|
| 18 | C | 30.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 107.1 | 165.4 | -66.4 | 0 | 0 | 0 | 0 | 109 | C16 R20 | C16-C18 PolarHBondContact O-N 2.94Å; C18-R20 PolarHBondContact O-N 2.57Å |
| 19 | L | 33.3 | Very low | 33.5 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.9 | 164.6 | -67 | 166.8 | 0 | 0 | 0 | 108.3 | P17 | P17-L19 PolarHBondContact O-N 3.39Š|
| 20 | R | 31.4 | Very low | 33.3 | Very low | 233 Ų | 233 | 145.4 Ų | 145.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 120.7 | 157 | -76.4 | -165.6 | 172.1 | -153.5 | -2.5 | 106.6 | C18 D22 | C18-R20 PolarHBondContact O-N 2.57Å; R20-D22 PolarHBondContact O-N 2.72Å |
| 21 | E | 29.2 | Very low | 33.8 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 119.8 | 170.6 | -62.9 | 179.3 | 153.7 | 0 | 0 | 107.4 | | |
| 22 | D | 28.9 | Very low | 34.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72 | 126.6 | 165.7 | -65.1 | -50.8 | 0 | 0 | 0 | 107.7 | R20 T24 | R20-D22 PolarHBondContact O-N 2.72Å; D22-T24 PolarHBondContact O-N 3.44Å |
| 23 | P | 35.9 | Very low | 35.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -70 | 103.8 | 167 | 28 | -30.7 | 0 | 0 | 0 | 108.2 | C25 | P23-C25 PolarHBondContact O-N 3.31Š|
| 24 | T | 30.4 | Very low | 35.9 | Very low | 106 Ų | 106 | 132 Ų | 132 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -55.4 | 122.5 | 164.2 | 41.1 | 0 | 0 | 0 | 0 | 108.4 | D22 D26 | D22-T24 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact OG1-OD2 2.9Å |
| 25 | C | 32.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 91% | 0.912 | 71% | 0.711 | S | S | * | * | | | trans | -78.6 | 70.8 | 174.3 | -159.4 | 0 | 0 | 0 | 0 | 108.7 | P23 G27 | P23-C25 PolarHBondContact O-N 3.31Å; C25-G27 PolarHBondContact O-N 3.36Å |
| 26 | D | 26.6 | Very low | 38.7 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | | | trans | -67.6 | 116.7 | 172.4 | -76.1 | -58.8 | 0 | 0 | 0 | 108.7 | T24 Q28 | T24-D26 PolarHBondContact O-N 3.44Å; T24-D26 PolarHBondContact OG1-OD2 2.9Å; D26-Q28 PolarHBondContact O-N 3.23Å |
| 27 | G | 41.7 | Very low | 40.3 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | | | trans | -76 | 109.5 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | C25 | C25-G27 PolarHBondContact O-N 3.36Š|
| 28 | Q | 34.5 | Very low | 42 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | | | trans | -154.6 | 126.5 | 149 | -111.8 | 172.6 | -38.4 | 0 | 0 | 112.3 | D26 | D26-Q28 PolarHBondContact O-N 3.23Š|
| 29 | E | 41 | Very low | 44.3 | Very low | 160 Ų | 160 | 119.7 Ų | 119.7 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | | | trans | 61.5 | 91.7 | 153.1 | -57.8 | -177.2 | 179.3 | 0 | 0 | 120.6 | | |
| 30 | Q | 33.7 | Very low | 45.8 | Very low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | | | trans | -137.7 | 74.7 | 137.3 | -77.6 | -148.6 | 27.9 | 0 | 0 | 113 | A32 | Q30-A32 PolarHBondContact O-N 3.16Š|
| 31 | P | 48.1 | Very low | 47.5 | Very low | 123 Ų | 123 | 109 Ų | 109 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | | | trans | -89.2 | 71.6 | 179.4 | 36.7 | -33.6 | 0 | 0 | 0 | 111.7 | | |
| 32 | A | 49.8 | Very low | 49.4 | Very low | 43 Ų | 43 | 101.5 Ų | 101.5 | 36% | 0.355 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -141 | -43.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q30 K40 | Q30-A32 PolarHBondContact O-N 3.16Å; A32-K40 WeakPolarHBondContact O-CD 3.38Å; A32-K40 WeakPolarHBondContact O-CE 3.36Å; A32-K40 PolarHBondContact O-NZ 3.11Å |
| 33 | Y | 51.5 | Low | 51.2 | Low | 132 Ų | 132 | 96.7 Ų | 96.7 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -94.2 | -19.6 | -162.7 | -63.5 | -71.5 | 0 | 0 | 0 | 115.7 | K40 P41 | Y33-K40 WeakPolarHBondContact O-CB 3.16Å; Y33-K40 WeakPolarHBondContact O-CG 3.43Å; Y33-K40 PolarHBondContact O-N 3.41Å; Y33-P41 HydrophobicContact CD1-CG 4.45Å; Y33-P41 WeakPolarHBondContact O-CD 3.38Å |
| 34 | F | 49.1 | Very low | 52.6 | Low | 57 Ų | 57 | 94.2 Ų | 94.2 | 25% | 0.25 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134.7 | -178.1 | -59.9 | -106.3 | 0 | 0 | 0 | 109.4 | C39 F56 C59 | F34-C39 HydrophobicContact CD1-CB 3.63Å; F34-C39 HydrophobicContact CE1-CB 3.63Å; F34-C39 WeakPolarHBondContact CE1-SG 3.41Å; F34-F56 HydrophobicContact CB-CE1 3.57Å; F34-F56 HydrophobicContact CB-CZ 3.66Å; F34-F56 AromaticContact CD1-CD1 3.79Å; F34-F56 HydrophobicContact CD1-CD1 3.79Å; F34-F56 AromaticContact CD1-CE1 3.27Å; F34-F56 HydrophobicContact CD1-CE1 3.27Å; F34-F56 AromaticContact CD1-CZ 3.66Å; F34-F56 HydrophobicContact CD1-CZ 3.66Å; F34-F56 AromaticContact CD2-CD1 3.98Å; F34-F56 HydrophobicContact CD2-CD1 3.98Å; F34-F56 AromaticContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CZ 4.35Å; F34-F56 AromaticContact CE1-CD1 3.62Å; F34-F56 HydrophobicContact CE1-CD1 3.62Å; F34-F56 AromaticContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CG 4.37Å; F34-F56 HydrophobicContact CE1-CZ 4.32Å; F34-F56 AromaticContact CE2-CD1 3.87Å; F34-F56 HydrophobicContact CE2-CD1 3.87Å; F34-F56 AromaticContact CE2-CE1 3.79Å; F34-F56 HydrophobicContact CE2-CE1 3.79Å; F34-F56 AromaticContact CG-CD1 3.97Å; F34-F56 HydrophobicContact CG-CD1 3.97Å; F34-F56 AromaticContact CG-CE1 3.13Å; F34-F56 HydrophobicContact CG-CE1 3.13Å; F34-F56 AromaticContact CG-CZ 3.67Å; F34-F56 HydrophobicContact CG-CZ 3.67Å; F34-F56 AromaticContact CZ-CD1 3.69Å; F34-F56 HydrophobicContact CZ-CD1 3.69Å; F34-F56 AromaticContact CZ-CE1 3.9Å; F34-F56 HydrophobicContact CZ-CE1 3.9Å; F34-C59 HydrophobicContact CZ-CB 4.33Å |
| 35 | T | 60.1 | Low | 54.6 | Low | 74 Ų | 74 | 93.4 Ų | 93.4 | 45% | 0.454 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 155.2 | 159 | 38.5 | 0 | 0 | 0 | 0 | 107.5 | N37 F38 | T35-N37 PolarHBondContact O-N 2.99Å; T35-F38 PolarHBondContact N-O 2.86Å; T35-F38 PolarHBondContact O-N 3.32Å; T35-F38 VanDerWaalsContact O-O 3.08Å; T35-F38 WeakPolarHBondContact OG1-CB 3.39Å; T35-F38 PolarHBondContact OG1-O 3.26Å |
| 36 | D | 59.3 | Low | 56.9 | Low | 131 Ų | 131 | 87.9 Ų | 87.9 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -28.2 | -165.9 | -93.1 | -40.7 | 0 | 0 | 0 | 116.3 | R52 | D36-R52 WeakPolarHBondContact O-CD 3.34Å; D36-R52 PolarHBondContact O-NH1 3.36Å |
| 37 | N | 66.3 | Low | 58.8 | Low | 84 Ų | 84 | 89 Ų | 89 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 11.9 | 177.6 | -55 | -46.4 | 0 | 0 | 0 | 113.9 | T35 V45 L46 R52 | T35-N37 PolarHBondContact O-N 2.99Å; N37-V45 CarbonylContact O-C 3.55Å; N37-V45 WeakPolarHBondContact O-CA 3.48Å; N37-V45 WeakPolarHBondContact O-CG1 3.41Å; N37-L46 PolarHBondContact O-N 3.24Å; N37-R52 PolarHBondContact OD1-NH1 2.97Å; N37-R52 VanDerWaalsContact OD1-NH1 3.14Å |
| 38 | F | 68.1 | Low | 60.1 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 34% | 0.342 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 125.8 | -176.3 | 172.7 | -98.6 | 0 | 0 | 0 | 112.8 | T35 K40 G43 V44 V45 | T35-F38 PolarHBondContact N-O 2.86Å; T35-F38 PolarHBondContact O-N 3.32Å; T35-F38 VanDerWaalsContact O-O 3.08Å; T35-F38 WeakPolarHBondContact OG1-CB 3.39Å; T35-F38 PolarHBondContact OG1-O 3.26Å; F38-K40 HydrophobicContact CD1-CG 4.23Å; F38-K40 HydrophobicContact CE1-CB 4.45Å; F38-K40 HydrophobicContact CE1-CG 3.95Å; F38-G43 WeakPolarHBondContact CE2-O 3.26Å; F38-V44 WeakPolarHBondContact CA-O 3.4Å; F38-V44 WeakPolarHBondContact CD2-O 3.33Å; F38-V45 HydrophobicContact CB-CG2 4.49Å; F38-V45 HydrophobicContact CD2-CG2 3.79Å |
| 39 | C | 79.8 | Confident | 61.6 | Low | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.5 | 175.6 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | F34 P41 C42 G43 V44 H55 | F34-C39 HydrophobicContact CD1-CB 3.63Å; F34-C39 HydrophobicContact CE1-CB 3.63Å; F34-C39 WeakPolarHBondContact CE1-SG 3.41Å; C39-P41 VanDerWaalsContact SG-CD 3.54Å; C39-C42 HydrophobicContact CB-CB 4.22Å; C39-C42 VanDerWaalsContact SG-CB 3.58Å; C39-C42 PolarHBondContact SG-N 3.46Å; C39-C42 VanDerWaalsContact SG-N 3.38Å; C39-G43 VanDerWaalsContact O-CA 3.3Å; C39-G43 WeakPolarHBondContact O-CA 3.1Å; C39-G43 PolarHBondContact O-N 3.19Å; C39-V44 PolarHBondContact N-O 3.2Å; C39-V44 VanDerWaalsContact N-O 3.14Å; C39-H55 VanDerWaalsContact SG-CE1 3.51Å |
| 40 | K | 64.3 | Low | 63 | Low | 116 Ų | 116 | 85 Ų | 85 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -42.6 | -179.4 | -57.6 | 176.3 | -173.2 | 171.4 | 0 | 113.5 | A32 Y33 F38 | A32-K40 WeakPolarHBondContact O-CD 3.38Å; A32-K40 WeakPolarHBondContact O-CE 3.36Å; A32-K40 PolarHBondContact O-NZ 3.11Å; Y33-K40 WeakPolarHBondContact O-CB 3.16Å; Y33-K40 WeakPolarHBondContact O-CG 3.43Å; Y33-K40 PolarHBondContact O-N 3.41Å; F38-K40 HydrophobicContact CD1-CG 4.23Å; F38-K40 HydrophobicContact CE1-CB 4.45Å; F38-K40 HydrophobicContact CE1-CG 3.95Å |
| 41 | P | 67.1 | Low | 64.5 | Low | 56 Ų | 56 | 80.8 Ų | 80.8 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -52.7 | 174.1 | -25.2 | 32.1 | 0 | 0 | 0 | 113.9 | Y33 C39 | Y33-P41 HydrophobicContact CD1-CG 4.45Å; Y33-P41 WeakPolarHBondContact O-CD 3.38Å; C39-P41 VanDerWaalsContact SG-CD 3.54Å |
| 42 | C | 69.6 | Low | 65.6 | Low | 24 Ų | 24 | 77.1 Ų | 77.1 | 16% | 0.162 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -19.8 | -173.1 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | C39 V44 H55 C59 | C39-C42 HydrophobicContact CB-CB 4.22Å; C39-C42 VanDerWaalsContact SG-CB 3.58Å; C39-C42 PolarHBondContact SG-N 3.46Å; C39-C42 VanDerWaalsContact SG-N 3.38Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.31Å; C42-H55 WeakPolarHBondContact CB-CE1 3.33Å; C42-H55 VanDerWaalsContact CB-NE2 3.28Å; C42-H55 WeakPolarHBondContact CB-NE2 3.12Å; C42-H55 PolarHBondContact SG-CE1 3.23Å; C42-C59 WeakPolarHBondContact CB-SG 3.28Å; C42-C59 WeakPolarHBondContact SG-CB 3.21Å; C42-C59 CovalentContact SG-SG 2.1Å; C42-C59 PolarHBondContact SG-SG 2.8Å |
| 43 | G | 65.6 | Low | 66.6 | Low | 44 Ų | 44 | 80.3 Ų | 80.3 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | | | trans | 78.3 | 7.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | F38 C39 | F38-G43 WeakPolarHBondContact CE2-O 3.26Å; C39-G43 VanDerWaalsContact O-CA 3.3Å; C39-G43 WeakPolarHBondContact O-CA 3.1Å; C39-G43 PolarHBondContact O-N 3.19Å |
| 44 | V | 66.4 | Low | 67.4 | Low | 71 Ų | 71 | 76.6 Ų | 76.6 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | | | trans | -100.1 | 141.1 | -173.3 | -179.2 | 0 | 0 | 0 | 0 | 111 | F38 C39 C42 L46 | F38-V44 WeakPolarHBondContact CA-O 3.4Å; F38-V44 WeakPolarHBondContact CD2-O 3.33Å; C39-V44 PolarHBondContact N-O 3.2Å; C39-V44 VanDerWaalsContact N-O 3.14Å; C42-V44 VanDerWaalsContact C-N 3.32Å; C42-V44 PolarHBondContact O-N 3.31Å; V44-L46 HydrophobicContact CG1-CD2 3.77Å; V44-L46 HydrophobicContact CG1-CG 4.36Å |
| 45 | V | 72.6 | Confident | 68.6 | Low | 88 Ų | 88 | 75.2 Ų | 75.2 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 115.8 | 166.4 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | N37 F38 | N37-V45 CarbonylContact O-C 3.55Å; N37-V45 WeakPolarHBondContact O-CA 3.48Å; N37-V45 WeakPolarHBondContact O-CG1 3.41Å; F38-V45 HydrophobicContact CB-CG2 4.49Å; F38-V45 HydrophobicContact CD2-CG2 3.79Å |
| 46 | L | 79.4 | Confident | 69 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | | | trans | -100.3 | 119.1 | -179.6 | -59.6 | 172 | 0 | 0 | 0 | 108.5 | N37 V44 E51 R52 H55 | N37-L46 PolarHBondContact O-N 3.24Å; V44-L46 HydrophobicContact CG1-CD2 3.77Å; V44-L46 HydrophobicContact CG1-CG 4.36Å; L46-E51 HydrophobicContact CD2-CB 4.34Å; L46-R52 HydrophobicContact CB-CG 3.83Å; L46-R52 HydrophobicContact CD1-CG 4.32Å; L46-H55 HydrophobicContact CD1-CB 3.57Å; L46-H55 VanDerWaalsContact CD1-CG 3.48Å |
| 47 | Q | 67.1 | Low | 69.3 | Low | 157 Ų | 157 | 76.5 Ų | 76.5 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | | | trans | -92.1 | -25 | -170.7 | -60.9 | -173.4 | 16.7 | 0 | 0 | 112.4 | E51 | Q47-E51 PolarHBondContact N-OE2 3.1Š|
| 48 | H | 68.4 | Low | 69.1 | Low | 108 Ų | 108 | 75.9 Ų | 75.9 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -112.7 | 140.7 | -179.6 | -62.7 | -73.2 | 0 | 0 | 0 | 113.2 | S50 E51 R52 | H48-S50 VanDerWaalsContact C-N 3.26Å; H48-S50 PolarHBondContact O-N 3.11Å; H48-E51 HydrophobicContact CB-CG 3.98Å; H48-E51 IonicContact CD2-OE1 2.94Å; H48-E51 IonicContact CD2-OE2 2.6Å; H48-E51 IonicContact CG-OE2 3.85Å; H48-E51 PolarHBondContact N-OE2 3.08Å; H48-E51 WeakPolarHBondContact O-CB 3.26Å; H48-E51 PolarHBondContact O-N 3.46Å; H48-R52 PolarHBondContact O-N 3.06Å |
| 49 | E | 65.4 | Low | 68.6 | Low | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59 | -34.5 | -179.4 | -178.7 | 155.2 | -117.9 | 0 | 0 | 113.9 | E51 R52 I53 | E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 2.97Å; E49-R52 WeakPolarHBondContact O-CB 3.21Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-R52 IonicContact OE1-NH2 3.03Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.28Å |
| 50 | S | 70.6 | Confident | 67.4 | Low | 88 Ų | 88 | 77 Ų | 77 | 62% | 0.615 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.2 | -34.9 | 173 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | H48 S54 | H48-S50 VanDerWaalsContact C-N 3.26Å; H48-S50 PolarHBondContact O-N 3.11Å; S50-S54 PolarHBondContact O-N 3.44Å; S50-S54 PolarHBondContact O-OG 3.39Å |
| 51 | E | 66.1 | Low | 66.7 | Low | 74 Ų | 74 | 76 Ų | 76 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.7 | -38.3 | 176.8 | -59.2 | 165.9 | 160.6 | 0 | 0 | 110.3 | L46 Q47 H48 E49 S54 H55 | L46-E51 HydrophobicContact CD2-CB 4.34Å; Q47-E51 PolarHBondContact N-OE2 3.1Å; H48-E51 HydrophobicContact CB-CG 3.98Å; H48-E51 IonicContact CD2-OE1 2.94Å; H48-E51 IonicContact CD2-OE2 2.6Å; H48-E51 IonicContact CG-OE2 3.85Å; H48-E51 PolarHBondContact N-OE2 3.08Å; H48-E51 WeakPolarHBondContact O-CB 3.26Å; H48-E51 PolarHBondContact O-N 3.46Å; E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 2.97Å; E51-S54 PolarHBondContact O-OG 2.89Å; E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 3.02Å |
| 52 | R | 72 | Confident | 65.7 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 18% | 0.177 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.2 | -54.6 | 172.9 | -62.3 | -171.3 | -55.3 | -165.7 | 4.7 | 110.5 | D36 N37 L46 H48 E49 S54 H55 F56 | D36-R52 WeakPolarHBondContact O-CD 3.34Å; D36-R52 PolarHBondContact O-NH1 3.36Å; N37-R52 PolarHBondContact OD1-NH1 2.97Å; N37-R52 VanDerWaalsContact OD1-NH1 3.14Å; L46-R52 HydrophobicContact CB-CG 3.83Å; L46-R52 HydrophobicContact CD1-CG 4.32Å; H48-R52 PolarHBondContact O-N 3.06Å; E49-R52 WeakPolarHBondContact O-CB 3.21Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-R52 IonicContact OE1-NH2 3.03Å; E49-R52 PolarHBondContact OE1-NH2 3.43Å; R52-S54 PolarHBondContact O-N 3.32Å; R52-H55 CarbonylContact O-C 3.56Å; R52-H55 PolarHBondContact O-N 3.46Å; R52-F56 HydrophobicContact CB-CD2 4.09Å; R52-F56 HydrophobicContact CB-CE2 4.02Å; R52-F56 WeakPolarHBondContact O-CB 3.25Å; R52-F56 WeakPolarHBondContact O-CD2 3.48Å; R52-F56 PolarHBondContact O-N 3.42Å |
| 53 | I | 69.3 | Low | 64.5 | Low | 109 Ų | 109 | 84.2 Ų | 84.2 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.1 | -49.2 | -174.3 | -66.4 | 162.6 | 0 | 0 | 0 | 111.6 | E49 H55 F56 E57 | E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.39Å; E49-I53 PolarHBondContact O-N 3.28Å; I53-H55 PolarHBondContact O-N 2.84Å; I53-F56 PolarHBondContact O-N 3.25Å; I53-E57 PolarHBondContact O-N 3Å; I53-E57 VanDerWaalsContact O-N 3.12Å |
| 54 | S | 68.7 | Low | 63.5 | Low | 54 Ų | 54 | 84.8 Ų | 84.8 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 178.4 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | S50 E51 R52 E57 V58 | S50-S54 PolarHBondContact O-N 3.44Å; S50-S54 PolarHBondContact O-OG 3.39Å; E51-S54 PolarHBondContact O-OG 2.89Å; R52-S54 PolarHBondContact O-N 3.32Å; S54-E57 PolarHBondContact O-N 3.23Å; S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.38Å; S54-V58 VanDerWaalsContact O-N 3.15Å |
| 55 | H | 73.6 | Confident | 62.3 | Low | 29 Ų | 29 | 85.5 Ų | 85.5 | 13% | 0.134 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -70.4 | -33 | 175.9 | -176.9 | -61.5 | 0 | 0 | 0 | 112.4 | C39 C42 L46 E51 R52 I53 C59 | C39-H55 VanDerWaalsContact SG-CE1 3.51Å; C42-H55 WeakPolarHBondContact CB-CE1 3.33Å; C42-H55 VanDerWaalsContact CB-NE2 3.28Å; C42-H55 WeakPolarHBondContact CB-NE2 3.12Å; C42-H55 PolarHBondContact SG-CE1 3.23Å; L46-H55 HydrophobicContact CD1-CB 3.57Å; L46-H55 VanDerWaalsContact CD1-CG 3.48Å; E51-H55 WeakPolarHBondContact O-CB 3.46Å; E51-H55 PolarHBondContact O-N 3.02Å; R52-H55 CarbonylContact O-C 3.56Å; R52-H55 PolarHBondContact O-N 3.46Å; I53-H55 PolarHBondContact O-N 2.84Å; H55-C59 VanDerWaalsContact CE1-CB 3.5Å; H55-C59 WeakPolarHBondContact CE1-CB 3.41Å; H55-C59 WeakPolarHBondContact O-CB 3.46Å; H55-C59 PolarHBondContact O-N 3.45Å |
| 56 | F | 68.3 | Low | 61.2 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 172.9 | -87.3 | -69.9 | 0 | 0 | 0 | 110.6 | F34 R52 I53 V58 S60 | F34-F56 HydrophobicContact CB-CE1 3.57Å; F34-F56 HydrophobicContact CB-CZ 3.66Å; F34-F56 AromaticContact CD1-CD1 3.79Å; F34-F56 HydrophobicContact CD1-CD1 3.79Å; F34-F56 AromaticContact CD1-CE1 3.27Å; F34-F56 HydrophobicContact CD1-CE1 3.27Å; F34-F56 AromaticContact CD1-CZ 3.66Å; F34-F56 HydrophobicContact CD1-CZ 3.66Å; F34-F56 AromaticContact CD2-CD1 3.98Å; F34-F56 HydrophobicContact CD2-CD1 3.98Å; F34-F56 AromaticContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CE1 3.4Å; F34-F56 HydrophobicContact CD2-CZ 4.35Å; F34-F56 AromaticContact CE1-CD1 3.62Å; F34-F56 HydrophobicContact CE1-CD1 3.62Å; F34-F56 AromaticContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CE1 3.63Å; F34-F56 HydrophobicContact CE1-CG 4.37Å; F34-F56 HydrophobicContact CE1-CZ 4.32Å; F34-F56 AromaticContact CE2-CD1 3.87Å; F34-F56 HydrophobicContact CE2-CD1 3.87Å; F34-F56 AromaticContact CE2-CE1 3.79Å; F34-F56 HydrophobicContact CE2-CE1 3.79Å; F34-F56 AromaticContact CG-CD1 3.97Å; F34-F56 HydrophobicContact CG-CD1 3.97Å; F34-F56 AromaticContact CG-CE1 3.13Å; F34-F56 HydrophobicContact CG-CE1 3.13Å; F34-F56 AromaticContact CG-CZ 3.67Å; F34-F56 HydrophobicContact CG-CZ 3.67Å; F34-F56 AromaticContact CZ-CD1 3.69Å; F34-F56 HydrophobicContact CZ-CD1 3.69Å; F34-F56 AromaticContact CZ-CE1 3.9Å; F34-F56 HydrophobicContact CZ-CE1 3.9Å; R52-F56 HydrophobicContact CB-CD2 4.09Å; R52-F56 HydrophobicContact CB-CE2 4.02Å; R52-F56 WeakPolarHBondContact O-CB 3.25Å; R52-F56 WeakPolarHBondContact O-CD2 3.48Å; R52-F56 PolarHBondContact O-N 3.42Å; I53-F56 PolarHBondContact O-N 3.25Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.26Å; F56-S60 WeakPolarHBondContact O-CB 3.47Å; F56-S60 PolarHBondContact O-N 3.12Å; F56-S60 PolarHBondContact O-OG 3.37Å |
| 57 | E | 67.4 | Low | 59.5 | Low | 152 Ų | 152 | 96.5 Ų | 96.5 | 71% | 0.71 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 178.2 | -165.5 | 169.8 | -166.2 | 0 | 0 | 111.8 | I53 S54 | I53-E57 PolarHBondContact O-N 3Å; I53-E57 VanDerWaalsContact O-N 3.12Å; S54-E57 PolarHBondContact O-N 3.23Å |
| 58 | V | 61.2 | Low | 58.3 | Low | 72 Ų | 72 | 93.5 Ų | 93.5 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -81.6 | -47.4 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 113.7 | S54 F56 S60 S61 | S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.38Å; S54-V58 VanDerWaalsContact O-N 3.15Å; F56-V58 VanDerWaalsContact C-N 3.33Å; F56-V58 PolarHBondContact O-N 3.26Å; V58-S60 PolarHBondContact O-N 2.93Å; V58-S60 VanDerWaalsContact O-N 3.09Å; V58-S61 PolarHBondContact O-N 3.46Å; V58-S61 VanDerWaalsContact O-N 3.15Å; V58-S61 PolarHBondContact O-OG 3.37Å |
| 59 | C | 57.5 | Low | 56.8 | Low | 17 Ų | 17 | 94.4 Ų | 94.4 | 12% | 0.115 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -71.7 | -3.5 | -179 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | F34 C42 H55 | F34-C59 HydrophobicContact CZ-CB 4.33Å; C42-C59 WeakPolarHBondContact CB-SG 3.28Å; C42-C59 WeakPolarHBondContact SG-CB 3.21Å; C42-C59 CovalentContact SG-SG 2.1Å; C42-C59 PolarHBondContact SG-SG 2.8Å; H55-C59 VanDerWaalsContact CE1-CB 3.5Å; H55-C59 WeakPolarHBondContact CE1-CB 3.41Å; H55-C59 WeakPolarHBondContact O-CB 3.46Å; H55-C59 PolarHBondContact O-N 3.45Å |
| 60 | S | 54.5 | Low | 55.4 | Low | 85 Ų | 85 | 93.6 Ų | 93.6 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -13 | 170.6 | -60 | 0 | 0 | 0 | 0 | 115.3 | F56 V58 G62 | F56-S60 WeakPolarHBondContact O-CB 3.47Å; F56-S60 PolarHBondContact O-N 3.12Å; F56-S60 PolarHBondContact O-OG 3.37Å; V58-S60 PolarHBondContact O-N 2.93Å; V58-S60 VanDerWaalsContact O-N 3.09Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.89Å |
| 61 | S | 49.3 | Very low | 54 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -82.1 | 3.9 | -176.2 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | V58 E63 | V58-S61 PolarHBondContact O-N 3.46Å; V58-S61 VanDerWaalsContact O-N 3.15Å; V58-S61 PolarHBondContact O-OG 3.37Å; S61-E63 PolarHBondContact O-N 3.29Å |
| 62 | G | 45.9 | Very low | 52.8 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 92.9 | -17.6 | 164 | 0 | 0 | 0 | 0 | 0 | 117.1 | S60 | S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 2.89Å |
| 63 | E | 45.2 | Very low | 51 | Low | 185 Ų | 185 | 106.6 Ų | 106.6 | 86% | 0.864 | 57% | 0.57 | S | S | * | * | | | trans | -112.7 | 77 | -178.9 | -67.9 | -161.9 | 147 | 0 | 0 | 113.2 | S61 N65 | S61-E63 PolarHBondContact O-N 3.29Å; E63-N65 PolarHBondContact O-N 2.9Å |
| 64 | V | 44.2 | Very low | 49.8 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 35% | 0.345 | 58% | 0.584 | S | S | . | * | | | trans | -94.6 | 88.6 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 65 | N | 42 | Very low | 48.2 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | | | trans | -81.1 | 120.5 | 164 | -169.2 | -23.2 | 0 | 0 | 0 | 109.7 | E63 N67 N68 | E63-N65 PolarHBondContact O-N 2.9Å; N65-N67 PolarHBondContact O-N 2.94Å; N65-N67 PolarHBondContact OD1-N 3.08Å; N65-N68 PolarHBondContact O-N 2.79Å |
| 66 | R | 49.1 | Very low | 46.3 | Very low | 202 Ų | 202 | 116.4 Ų | 116.4 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -11.7 | -176.2 | -85.8 | -179.2 | 164.9 | 170.4 | -4.6 | 115.5 | | |
| 67 | N | 44.3 | Very low | 44.7 | Very low | 137 Ų | 137 | 120 Ų | 120 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 3 | -172.8 | -63.9 | -5.8 | 0 | 0 | 0 | 114.6 | N65 | N65-N67 PolarHBondContact O-N 2.94Å; N65-N67 PolarHBondContact OD1-N 3.08Å |
| 68 | N | 40.4 | Very low | 43.6 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -98.5 | 1.3 | -172.2 | -69.4 | 3.9 | 0 | 0 | 0 | 115 | N65 | N65-N68 PolarHBondContact O-N 2.79Š|
| 69 | F | 37.9 | Very low | 42.5 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | | | trans | -104 | 123.2 | 179.6 | -63.9 | -81.4 | 0 | 0 | 0 | 110.8 | | |
| 70 | T | 35.3 | Very low | 41.7 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | | | trans | -122.1 | 124.8 | 168.4 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | L72 H73 | T70-L72 PolarHBondContact O-N 2.93Å; T70-H73 PolarHBondContact O-N 3.39Å |
| 71 | D | 41.6 | Very low | 41.3 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 22.7 | -169.1 | -61.9 | -44.2 | 0 | 0 | 0 | 115.7 | | |
| 72 | L | 40.5 | Very low | 41.2 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -13.3 | -175.5 | -72.2 | 172.5 | 0 | 0 | 0 | 114.8 | T70 | T70-L72 PolarHBondContact O-N 2.93Š|
| 73 | H | 35.9 | Very low | 41 | Very low | 153 Ų | 153 | 126 Ų | 126 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | | | trans | -148.8 | 114.4 | 173.4 | -92.8 | -85.1 | 0 | 0 | 0 | 112.5 | T70 M75 | T70-H73 PolarHBondContact O-N 3.39Å; H73-M75 VanDerWaalsContact C-N 3.26Å; H73-M75 PolarHBondContact O-N 3.19Å |
| 74 | N | 43.5 | Very low | 40.7 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | | | trans | -70.9 | 78.9 | 164.6 | -89.2 | -1 | 0 | 0 | 0 | 110.4 | | |
| 75 | M | 34.8 | Very low | 40.7 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 71% | 0.714 | 68% | 0.684 | S | S | * | * | | | trans | -146 | 125 | 162.4 | -66.3 | -61.2 | -66.6 | 0 | 0 | 108.8 | H73 | H73-M75 VanDerWaalsContact C-N 3.26Å; H73-M75 PolarHBondContact O-N 3.19Å |
| 76 | S | 34 | Very low | 41 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | trans | -88.6 | 151.7 | 174.1 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 77 | F | 33.9 | Very low | 40.4 | Very low | 155 Ų | 155 | 128 Ų | 128 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | | | trans | -131 | 132.6 | 171.5 | -68.3 | -82.2 | 0 | 0 | 0 | 109.9 | S79 | F77-S79 PolarHBondContact O-N 3.33Å; F77-S79 VanDerWaalsContact O-N 3.1Å |
| 78 | D | 43.8 | Very low | 40.5 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.2 | 13.9 | -170.9 | -54.3 | -38.9 | 0 | 0 | 0 | 114.7 | | |
| 79 | S | 38 | Very low | 40 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | -164.2 | 138.4 | 177.1 | -85.4 | 0 | 0 | 0 | 0 | 114.4 | F77 A81 | F77-S79 PolarHBondContact O-N 3.33Å; F77-S79 VanDerWaalsContact O-N 3.1Å; S79-A81 PolarHBondContact O-N 3.22Å |
| 80 | L | 42 | Very low | 40.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -8.3 | -175.3 | -162.6 | 65.9 | 0 | 0 | 0 | 114.8 | | |
| 81 | A | 46.2 | Very low | 40 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -9.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S79 | S79-A81 PolarHBondContact O-N 3.22Š|
| 82 | A | 47.5 | Very low | 39.6 | Very low | 46 Ų | 46 | 132.3 Ų | 132.3 | 38% | 0.38 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -99.1 | -9.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S85 | A82-S85 PolarHBondContact O-OG 2.9Š|
| 83 | A | 40.9 | Very low | 38.8 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -39.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 84 | P | 39.8 | Very low | 38.9 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -26.2 | -175.8 | -18.6 | 33.3 | 0 | 0 | 0 | 114.7 | H86 Y87 | P84-H86 VanDerWaalsContact C-N 3.33Å; P84-H86 PolarHBondContact O-N 3.43Å; P84-Y87 PolarHBondContact O-N 2.99Å |
| 85 | S | 43.9 | Very low | 38.2 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -75.3 | -18.2 | -169.8 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | A82 Y87 | A82-S85 PolarHBondContact O-OG 2.9Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 2.86Å |
| 86 | H | 46.9 | Very low | 37.7 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -76 | -15.6 | 176.6 | -163.9 | -85 | 0 | 0 | 0 | 113.5 | P84 | P84-H86 VanDerWaalsContact C-N 3.33Å; P84-H86 PolarHBondContact O-N 3.43Å |
| 87 | Y | 36.9 | Very low | 37.4 | Very low | 217 Ų | 217 | 130.4 Ų | 130.4 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -86.2 | -6.1 | -177.1 | -110.4 | -83.9 | 0 | 0 | 0 | 115 | P84 S85 | P84-Y87 PolarHBondContact O-N 2.99Å; S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 2.86Å |
| 88 | V | 46.8 | Very low | 37.3 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -136.8 | 58.8 | -177.8 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 89 | G | 29.2 | Very low | 36.5 | Very low | 68 Ų | 68 | 130.9 Ų | 130.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -140 | 103.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 90 | K | 42.8 | Very low | 35.9 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | | | trans | -83.4 | 123.8 | 171.6 | -72.9 | 159.5 | 175.1 | 166.1 | 0 | 110.2 | | |
| 91 | S | 31.7 | Very low | 35.1 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -175.7 | 118.1 | 133.4 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 92 | H | 32.4 | Very low | 34 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -87.4 | 128.7 | 142.4 | -76.3 | -87 | 0 | 0 | 0 | 107.8 | | |
| 93 | S | 24.2 | Very low | 33.1 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -173.7 | 141.2 | 143.3 | 49.5 | 0 | 0 | 0 | 0 | 111 | | |
| 94 | P | 37.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 150.9 Ų | 150.9 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -79.8 | 158.5 | -179.4 | 33.8 | -35.8 | 0 | 0 | 0 | 113.1 | | |
| 95 | T | 28.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | -62.3 | 130.6 | -175.9 | -40.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 96 | Q | 25.4 | Very low | 30.8 | Very low | 162 Ų | 162 | 156.1 Ų | 156.1 | 76% | 0.757 | 83% | 0.826 | S | S | * | * | | | trans | -133.8 | 129.5 | 155.5 | -146.4 | -162.5 | -18.4 | 0 | 0 | 110.4 | | |
| 97 | N | 28.6 | Very low | 30 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | | | trans | 66.3 | 114.7 | 163.8 | -51.7 | -28.6 | 0 | 0 | 0 | 119.6 | | |
| 98 | Q | 30.1 | Very low | 29.8 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -124.3 | 117.1 | 142.5 | -80.8 | -175.2 | -0.6 | 0 | 0 | 108.6 | | |
| 99 | S | 27.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -178.1 | 129.1 | 132.9 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 100 | L | 25.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -129.6 | 108.6 | 175.3 | 173.4 | 146.7 | 0 | 0 | 0 | 105.6 | | |
| 101 | E | 24.8 | Very low | 27.7 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -161.7 | 156.2 | 157.1 | -143.3 | 152.7 | 143.5 | 0 | 0 | 111.1 | | |
| 102 | E | 24.1 | Very low | 27.3 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | | | trans | 64.1 | 92 | 169.1 | -152 | 178 | 150.9 | 0 | 0 | 118 | | |
| 103 | H | 27.6 | Very low | 27.6 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -145.7 | 117 | 140.5 | -105.8 | -67 | 0 | 0 | 0 | 110.2 | | |
| 104 | D | 23.4 | Very low | 27.8 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | -131.1 | 160.5 | 171.1 | -159.4 | -4.3 | 0 | 0 | 0 | 108.7 | | |
| 105 | Q | 28.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | 83.4 | 128.2 | 166.1 | -57.6 | -78.3 | 9.5 | 0 | 0 | 121.6 | | |
| 106 | V | 26.1 | Very low | 27.4 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | 87.4 | 117.8 | 155.6 | -164.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 107 | S | 28.8 | Very low | 27.6 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -82.8 | 171.2 | 175 | -36.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 108 | P | 33.5 | Very low | 28.3 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | | -138.6 | 132.3 | 102.4 | 35 | -21.6 | 0 | 0 | 0 | 112.2 | | |
| 109 | S | 25.9 | Very low | 28.1 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 100.6 | 109 | 74.2 | -169.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 110 | T | 21.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 68.8 | 97 | 145.1 | -45.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 111 | C | 25.5 | Very low | 28.4 | Very low | 127 Ų | 127 | 139 Ų | 139 | 86% | 0.858 | 77% | 0.77 | S | S | * | * | | | | -179.7 | 148.7 | 89.8 | -129.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 112 | S | 25.3 | Very low | 28.8 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -113.6 | -164.8 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 110 | | |
| 113 | P | 38.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | cis | -134.8 | 176.7 | -14.2 | 39.1 | -22.4 | 0 | 0 | 0 | 114.6 | | |
| 114 | K | 27.5 | Very low | 30 | Very low | 186 Ų | 186 | 127.7 Ų | 127.7 | 81% | 0.809 | 75% | 0.753 | S | S | * | * | | | trans | 146.3 | 140.7 | 138.3 | -82.3 | 160.3 | -176.9 | -180 | 0 | 110.1 | | |
| 115 | M | 29.8 | Very low | 30.9 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | cis | -174.1 | 153.7 | -23.5 | -96.2 | -136.4 | -141.1 | 0 | 0 | 103.4 | | |
| 116 | D | 28.5 | Very low | 31.5 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | 75.3 | 89.2 | 160 | -48.6 | -27.2 | 0 | 0 | 0 | 120.3 | | |
| 117 | E | 29.3 | Very low | 31.9 | Very low | 179 Ų | 179 | 128.2 Ų | 128.2 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -52.8 | 179.7 | 143.3 | -102.9 | -164.7 | 96.3 | 0 | 0 | 114.1 | | |
| 118 | P | 42.1 | Very low | 32.4 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 53% | 0.532 | 77% | 0.767 | S | S | . | * | | | cis | -138.2 | -164 | -31.1 | 33 | -11.7 | 0 | 0 | 0 | 113.5 | | |
| 119 | N | 26.9 | Very low | 32.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 82.5 | 137.4 | 158.7 | -57.8 | -27.9 | 0 | 0 | 0 | 118 | | |
| 120 | T | 27.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | cis | -163.2 | 137.8 | -4.7 | -97.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 121 | T | 30.9 | Very low | 33.7 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 57.3 | 133 | 155.6 | -58.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 122 | P | 33 | Very low | 34.3 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -91.5 | 157.6 | 177.7 | 37.4 | -36.3 | 0 | 0 | 0 | 114.6 | | |
| 123 | A | 34.3 | Very low | 35.3 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -104.6 | 145.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 124 | P | 44 | Very low | 35.1 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 146.7 | -177.3 | 31.6 | -35.1 | 0 | 0 | 0 | 113 | | |
| 125 | P | 41.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 146.3 | 179 | 30.4 | -34.7 | 0 | 0 | 0 | 112.8 | | |
| 126 | P | 40 | Very low | 36.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 151.5 | -174 | 30.4 | -35.6 | 0 | 0 | 0 | 114.5 | | |
| 127 | F | 34.2 | Very low | 37.3 | Very low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 127.5 | -176.7 | -66.7 | -100.6 | 0 | 0 | 0 | 114.4 | | |
| 128 | L | 39.8 | Very low | 38.2 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.5 | 161.4 | -72 | 174.3 | 0 | 0 | 0 | 110 | S130 | L128-S130 PolarHBondContact O-N 3.12Š|
| 129 | K | 36.7 | Very low | 38.7 | Very low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -70.6 | 112.9 | 176.3 | -67.6 | 175.3 | 179.4 | 175.3 | 0 | 110.2 | V131 | K129-V131 PolarHBondContact O-N 3.38Š|
| 130 | S | 33.5 | Very low | 39.8 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -67.9 | 125.4 | 172.7 | -55.2 | 0 | 0 | 0 | 0 | 111 | L128 I132 | L128-S130 PolarHBondContact O-N 3.12Å; S130-I132 PolarHBondContact O-N 2.76Å |
| 131 | V | 38.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -66.8 | 126.9 | 174.1 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | K129 V133 | K129-V131 PolarHBondContact O-N 3.38Å; V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.04Å |
| 132 | I | 38.4 | Very low | 43.5 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -73.9 | 90.9 | 174.9 | -60.3 | 170.2 | 0 | 0 | 0 | 108.6 | S130 | S130-I132 PolarHBondContact O-N 2.76Š|
| 133 | V | 46 | Very low | 46.1 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 120.1 | 163.5 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | V131 | V131-V133 HydrophobicContact CG1-CG2 4.38Å; V131-V133 PolarHBondContact O-N 3.04Å |
| 134 | K | 34 | Very low | 48.8 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.5 | 172.6 | -83.5 | 177.7 | 171.9 | 175.5 | 0 | 109.4 | | |
| 135 | P | 41.6 | Very low | 51.1 | Low | 115 Ų | 115 | 140.5 Ų | 140.5 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.4 | 172 | 27.2 | -33.1 | 0 | 0 | 0 | 110 | | |
| 136 | P | 46.2 | Very low | 53.6 | Low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 157.1 | 168.9 | -18.1 | 30.5 | 0 | 0 | 0 | 110.9 | A138 | P136-A138 PolarHBondContact O-N 3.44Š|
| 137 | P | 45 | Very low | 56.1 | Low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136.7 | 179.2 | 25.1 | -34.3 | 0 | 0 | 0 | 110.7 | Y139 | P137-Y139 PolarHBondContact O-N 2.85Š|
| 138 | A | 48.2 | Very low | 58.9 | Low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 67% | 0.671 | S | S | * | * | | | trans | -62.2 | 101.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P136 R140 | P136-A138 PolarHBondContact O-N 3.44Å; A138-R140 PolarHBondContact O-N 3.33Å |
| 139 | Y | 51.8 | Low | 61.3 | Low | 206 Ų | 206 | 123.1 Ų | 123.1 | 81% | 0.808 | 64% | 0.635 | S | S | * | * | | | trans | -56.3 | 111.7 | 164.1 | -85.8 | -98.2 | 0 | 0 | 0 | 107.8 | P137 M141 | P137-Y139 PolarHBondContact O-N 2.85Å; Y139-M141 PolarHBondContact O-N 2.93Å |
| 140 | R | 49.2 | Very low | 63.8 | Low | 243 Ų | 243 | 118.4 Ų | 118.4 | 92% | 0.917 | 63% | 0.628 | S | S | * | * | | | trans | -66 | 87.7 | 171.7 | -68.8 | -173.6 | -177.4 | -133.3 | 4.3 | 108.4 | A138 R142 | A138-R140 PolarHBondContact O-N 3.33Å; R140-R142 PolarHBondContact O-N 2.77Å; R140-R142 VanDerWaalsContact O-N 3.12Å |
| 141 | M | 63.9 | Low | 66.6 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | | | trans | -57.6 | 117.5 | 170.8 | -64.2 | -172.4 | 76.7 | 0 | 0 | 107.7 | Y139 T143 | Y139-M141 PolarHBondContact O-N 2.93Å; M141-T143 PolarHBondContact O-N 3.28Å; M141-T143 VanDerWaalsContact O-N 3.08Å |
| 142 | R | 74.4 | Confident | 69.1 | Low | 195 Ų | 195 | 114.8 Ų | 114.8 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | | | trans | -66.9 | 110.9 | 176.7 | -66 | -172.9 | -176.7 | -165.3 | 2.1 | 107.9 | R140 Y144 | R140-R142 PolarHBondContact O-N 2.77Å; R140-R142 VanDerWaalsContact O-N 3.12Å; R142-Y144 HydrophobicContact CB-CE2 3.93Å; R142-Y144 VanDerWaalsContact O-CD2 3.28Å; R142-Y144 WeakPolarHBondContact O-CD2 3.42Å; R142-Y144 WeakPolarHBondContact O-CE2 3.47Å |
| 143 | T | 86.3 | Confident | 71.7 | Confident | 97 Ų | 97 | 108 Ų | 108 | 60% | 0.595 | 56% | 0.563 | S | S | * | * | | | trans | -80.9 | 131.4 | 171.8 | 43.9 | 0 | 0 | 0 | 0 | 109.2 | M141 F153 | M141-T143 PolarHBondContact O-N 3.28Å; M141-T143 VanDerWaalsContact O-N 3.08Å; T143-F153 WeakPolarHBondContact CA-O 3.14Å |
| 144 | Y | 90.4 | Very high | 73.7 | Confident | 61 Ų | 61 | 106.8 Ų | 106.8 | 24% | 0.239 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 131 | 175.6 | -58.8 | -89.8 | 0 | 0 | 0 | 108.1 | R142 T152 F153 L156 F159 | R142-Y144 HydrophobicContact CB-CE2 3.93Å; R142-Y144 VanDerWaalsContact O-CD2 3.28Å; R142-Y144 WeakPolarHBondContact O-CD2 3.42Å; R142-Y144 WeakPolarHBondContact O-CE2 3.47Å; Y144-T152 CarbonylContact O-C 3.54Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; Y144-F153 PolarHBondContact N-O 3.35Å; Y144-F153 PolarHBondContact O-N 3.24Å; Y144-L156 HydrophobicContact CD2-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CD1 4.01Å; Y144-L156 HydrophobicContact CE1-CG 4.4Å; Y144-L156 HydrophobicContact CE2-CB 3.69Å; Y144-F159 HydrophobicContact CG-CB 4.32Å; Y144-F159 HydrophobicContact CG-CG 4.43Å |
| 145 | V | 92.8 | Very high | 76.3 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.9 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | T152 | V145-T152 HydrophobicContact CG1-CG2 4.25Å; V145-T152 HydrophobicContact CG2-CG2 4.05Å |
| 146 | C | 95.1 | Very high | 78.7 | Confident | 4 Ų | 4 | 98.2 Ų | 98.2 | 3% | 0.027 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 107.3 | 169.3 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | I148 C149 S150 I151 F153 F159 H162 H168 | C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 PolarHBondContact O-N 3.42Å; C146-C149 HydrophobicContact CB-CB 4.4Å; C146-C149 PolarHBondContact O-N 3.42Å; C146-S150 VanDerWaalsContact O-CA 3.25Å; C146-S150 WeakPolarHBondContact O-CA 3.34Å; C146-S150 PolarHBondContact O-N 2.8Å; C146-I151 PolarHBondContact N-O 3.45Å; C146-I151 PolarHBondContact O-N 3.02Å; C146-F153 HydrophobicContact CB-CE2 4.13Å; C146-F159 HydrophobicContact CB-CE2 3.98Å; C146-H162 PolarHBondContact SG-NE2 3.2Å; C146-H168 PolarHBondContact SG-CE1 2.95Å; C146-H168 PolarHBondContact SG-ND1 3.28Å |
| 147 | H | 92.1 | Very high | 80.8 | Confident | 162 Ų | 162 | 99.1 Ų | 99.1 | 75% | 0.75 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22 | -178.6 | -59.8 | -74.7 | 0 | 0 | 0 | 114 | | |
| 148 | I | 92.2 | Very high | 83 | Confident | 65 Ų | 65 | 99 Ų | 99 | 33% | 0.333 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -31.6 | 177.2 | -58.3 | -175.3 | 0 | 0 | 0 | 111.6 | C146 K171 E172 | C146-I148 VanDerWaalsContact C-N 3.29Å; C146-I148 PolarHBondContact O-N 3.42Å; I148-K171 HydrophobicContact CG2-CB 3.87Å; I148-E172 HydrophobicContact CD1-CB 3.89Å; I148-E172 HydrophobicContact CD1-CG 3.87Å; I148-E172 HydrophobicContact CG2-CB 4.32Å |
| 149 | C | 91.5 | Very high | 85.2 | Confident | 18 Ų | 18 | 96.8 Ų | 96.8 | 12% | 0.122 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -10.2 | -177.4 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | C146 I151 H162 H168 | C146-C149 HydrophobicContact CB-CB 4.4Å; C146-C149 PolarHBondContact O-N 3.42Å; C149-I151 HydrophobicContact CB-CD1 4Å; C149-I151 HydrophobicContact CB-CG1 3.88Å; C149-I151 WeakPolarHBondContact O-CG1 3.36Å; C149-I151 PolarHBondContact O-N 3.16Å; C149-H162 WeakPolarHBondContact CB-NE2 3.48Å; C149-H162 PolarHBondContact SG-CE1 3.4Å; C149-H162 PolarHBondContact SG-NE2 3.47Å; C149-H168 PolarHBondContact SG-ND1 3.49Å |
| 150 | S | 88.9 | Confident | 87.1 | Confident | 106 Ų | 106 | 94.4 Ų | 94.4 | 74% | 0.741 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 37.2 | -170.2 | -56.2 | 0 | 0 | 0 | 0 | 114 | C146 | C146-S150 VanDerWaalsContact O-CA 3.25Å; C146-S150 WeakPolarHBondContact O-CA 3.34Å; C146-S150 PolarHBondContact O-N 2.8Å |
| 151 | I | 91.4 | Very high | 89.3 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 34% | 0.338 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.1 | 179.2 | -53 | 179.1 | 0 | 0 | 0 | 109.8 | C146 C149 F153 | C146-I151 PolarHBondContact N-O 3.45Å; C146-I151 PolarHBondContact O-N 3.02Å; C149-I151 HydrophobicContact CB-CD1 4Å; C149-I151 HydrophobicContact CB-CG1 3.88Å; C149-I151 WeakPolarHBondContact O-CG1 3.36Å; C149-I151 PolarHBondContact O-N 3.16Å; I151-F153 HydrophobicContact CB-CE2 3.78Å; I151-F153 HydrophobicContact CB-CZ 3.8Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.86Å; I151-F153 HydrophobicContact CG2-CE2 3.66Å; I151-F153 HydrophobicContact CG2-CZ 3.36Å; I151-F153 WeakPolarHBondContact O-CE2 3.44Å |
| 152 | T | 92.2 | Very high | 90.7 | Very high | 99 Ų | 99 | 80.8 Ų | 80.8 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.6 | 174 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | Y144 V145 | Y144-T152 CarbonylContact O-C 3.54Å; Y144-T152 WeakPolarHBondContact O-CA 3.49Å; V145-T152 HydrophobicContact CG1-CG2 4.25Å; V145-T152 HydrophobicContact CG2-CG2 4.05Å |
| 153 | F | 92.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 75 Ų | 75 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131 | -177.5 | -59.7 | -86 | 0 | 0 | 0 | 110.2 | T143 Y144 C146 I151 S155 M158 F159 H162 | T143-F153 WeakPolarHBondContact CA-O 3.14Å; Y144-F153 PolarHBondContact N-O 3.35Å; Y144-F153 PolarHBondContact O-N 3.24Å; C146-F153 HydrophobicContact CB-CE2 4.13Å; I151-F153 HydrophobicContact CB-CE2 3.78Å; I151-F153 HydrophobicContact CB-CZ 3.8Å; I151-F153 HydrophobicContact CG2-CD2 4.35Å; I151-F153 HydrophobicContact CG2-CE1 3.86Å; I151-F153 HydrophobicContact CG2-CE2 3.66Å; I151-F153 HydrophobicContact CG2-CZ 3.36Å; I151-F153 WeakPolarHBondContact O-CE2 3.44Å; F153-S155 VanDerWaalsContact C-N 3.28Å; F153-M158 HydrophobicContact CB-CB 4.44Å; F153-M158 HydrophobicContact CD1-CB 3.77Å; F153-M158 HydrophobicContact CG-CB 4.46Å; F153-F159 HydrophobicContact CB-CB 4.17Å; F153-F159 HydrophobicContact CD2-CB 4.18Å; F153-F159 AromaticContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CG 4.47Å; F153-F159 HydrophobicContact CE2-CD2 4.14Å; F153-F159 HydrophobicContact CG-CB 4.21Å; F153-H162 HydrophobicContact CE1-CB 3.89Å; F153-H162 HydrophobicContact CE2-CB 4Å; F153-H162 AromaticContact CE2-CD2 3.77Å; F153-H162 AromaticContact CE2-CG 3.76Å; F153-H162 HydrophobicContact CZ-CB 3.42Å; F153-H162 VanDerWaalsContact CZ-CB 3.42Å; F153-H162 AromaticContact CZ-CD2 3.76Å; F153-H162 AromaticContact CZ-CG 3.28Å; F153-H162 AromaticContact CZ-ND1 3.6Å |
| 154 | T | 88.7 | Confident | 91.8 | Very high | 95 Ų | 95 | 78 Ų | 78 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -83.6 | -3.1 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 155 | S | 88.9 | Confident | 91.9 | Very high | 49 Ų | 49 | 76.3 Ų | 76.3 | 34% | 0.343 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -138.5 | 134.8 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | F153 H157 M158 F159 | F153-S155 VanDerWaalsContact C-N 3.28Å; S155-H157 PolarHBondContact O-N 2.95Å; S155-H157 PolarHBondContact OG-N 3.21Å; S155-M158 PolarHBondContact O-N 3.24Å; S155-F159 PolarHBondContact O-N 2.87Å; S155-F159 VanDerWaalsContact O-N 3.16Å |
| 156 | L | 90.5 | Very high | 91.8 | Very high | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.2 | -33 | 176.2 | -179.8 | 148.9 | 0 | 0 | 0 | 112.2 | Y144 F159 R160 | Y144-L156 HydrophobicContact CD2-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CB 4.31Å; Y144-L156 HydrophobicContact CE1-CD1 4.01Å; Y144-L156 HydrophobicContact CE1-CG 4.4Å; Y144-L156 HydrophobicContact CE2-CB 3.69Å; L156-F159 PolarHBondContact O-N 3Å; L156-R160 HydrophobicContact CD2-CG 4.24Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 3.1Å |
| 157 | H | 91.5 | Very high | 91.6 | Very high | 129 Ų | 129 | 84.2 Ų | 84.2 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 176.7 | -175.5 | -79.8 | 0 | 0 | 0 | 111.1 | S155 F159 R160 S161 | S155-H157 PolarHBondContact O-N 2.95Å; S155-H157 PolarHBondContact OG-N 3.21Å; H157-F159 VanDerWaalsContact C-N 3.32Å; H157-F159 PolarHBondContact O-N 3.21Å; H157-R160 PolarHBondContact O-N 3.39Å; H157-S161 PolarHBondContact O-N 2.97Å; H157-S161 PolarHBondContact O-OG 2.79Å |
| 158 | M | 90.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 76.6 Ų | 76.6 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.9 | -67.8 | -68.4 | -69.5 | 0 | 0 | 111.7 | F153 S155 S161 H162 | F153-M158 HydrophobicContact CB-CB 4.44Å; F153-M158 HydrophobicContact CD1-CB 3.77Å; F153-M158 HydrophobicContact CG-CB 4.46Å; S155-M158 PolarHBondContact O-N 3.24Å; M158-S161 PolarHBondContact O-N 2.86Å; M158-H162 WeakPolarHBondContact O-CB 3.2Å; M158-H162 PolarHBondContact O-N 3.25Å |
| 159 | F | 94 | Very high | 91.5 | Very high | 49 Ų | 49 | 79.3 Ų | 79.3 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 175 | 179.5 | -102.9 | 0 | 0 | 0 | 112.3 | Y144 C146 F153 S155 L156 H157 H162 M163 | Y144-F159 HydrophobicContact CG-CB 4.32Å; Y144-F159 HydrophobicContact CG-CG 4.43Å; C146-F159 HydrophobicContact CB-CE2 3.98Å; F153-F159 HydrophobicContact CB-CB 4.17Å; F153-F159 HydrophobicContact CD2-CB 4.18Å; F153-F159 AromaticContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CD2 3.74Å; F153-F159 HydrophobicContact CD2-CG 4.47Å; F153-F159 HydrophobicContact CE2-CD2 4.14Å; F153-F159 HydrophobicContact CG-CB 4.21Å; S155-F159 PolarHBondContact O-N 2.87Å; S155-F159 VanDerWaalsContact O-N 3.16Å; L156-F159 PolarHBondContact O-N 3Å; H157-F159 VanDerWaalsContact C-N 3.32Å; H157-F159 PolarHBondContact O-N 3.21Å; F159-H162 WeakPolarHBondContact O-CB 3.43Å; F159-H162 PolarHBondContact O-N 3.09Å; F159-M163 HydrophobicContact CD1-CG 4.3Å; F159-M163 HydrophobicContact CE1-CG 3.9Å; F159-M163 HydrophobicContact CE1-SD 4.45Å; F159-M163 HydrophobicContact CE2-CG 4.22Å; F159-M163 HydrophobicContact CE2-SD 4.07Å; F159-M163 HydrophobicContact CZ-CG 3.86Å; F159-M163 HydrophobicContact CZ-SD 3.83Å; F159-M163 WeakPolarHBondContact O-CG 3.3Å; F159-M163 PolarHBondContact O-N 3.39Å |
| 160 | R | 93.1 | Very high | 91.5 | Very high | 156 Ų | 156 | 83.7 Ų | 83.7 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 175.1 | -76.1 | -177 | 176.7 | 173.6 | 2.2 | 112.1 | L156 H157 H162 M163 Q164 | L156-R160 HydrophobicContact CD2-CG 4.24Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 3.1Å; H157-R160 PolarHBondContact O-N 3.39Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.96Å; R160-M163 PolarHBondContact O-N 2.76Å; R160-Q164 WeakPolarHBondContact O-CG 3.36Å; R160-Q164 PolarHBondContact O-N 3.5Å |
| 161 | S | 94.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 83 Ų | 83 | 41% | 0.406 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | H157 M158 Q164 G165 | H157-S161 PolarHBondContact O-N 2.97Å; H157-S161 PolarHBondContact O-OG 2.79Å; M158-S161 PolarHBondContact O-N 2.86Å; S161-Q164 PolarHBondContact O-N 3.47Å; S161-G165 PolarHBondContact O-N 3.4Å; S161-G165 VanDerWaalsContact O-N 3.11Å |
| 162 | H | 94.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 83.3 Ų | 83.3 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 174.5 | 174.1 | 74.3 | 0 | 0 | 0 | 112.5 | C146 C149 F153 M158 F159 R160 Q164 G165 H168 | C146-H162 PolarHBondContact SG-NE2 3.2Å; C149-H162 WeakPolarHBondContact CB-NE2 3.48Å; C149-H162 PolarHBondContact SG-CE1 3.4Å; C149-H162 PolarHBondContact SG-NE2 3.47Å; F153-H162 HydrophobicContact CE1-CB 3.89Å; F153-H162 HydrophobicContact CE2-CB 4Å; F153-H162 AromaticContact CE2-CD2 3.77Å; F153-H162 AromaticContact CE2-CG 3.76Å; F153-H162 HydrophobicContact CZ-CB 3.42Å; F153-H162 VanDerWaalsContact CZ-CB 3.42Å; F153-H162 AromaticContact CZ-CD2 3.76Å; F153-H162 AromaticContact CZ-CG 3.28Å; F153-H162 AromaticContact CZ-ND1 3.6Å; M158-H162 WeakPolarHBondContact O-CB 3.2Å; M158-H162 PolarHBondContact O-N 3.25Å; F159-H162 WeakPolarHBondContact O-CB 3.43Å; F159-H162 PolarHBondContact O-N 3.09Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.96Å; H162-Q164 PolarHBondContact O-N 3.36Å; H162-G165 WeakPolarHBondContact O-CA 3.38Å; H162-G165 PolarHBondContact O-N 2.9Å; H162-H168 AromaticContact CD2-ND1 3.84Å; H162-H168 AromaticContact NE2-CG 3.94Å; H162-H168 AromaticContact NE2-ND1 3.35Å; H162-H168 PolarHBondContact NE2-ND1 3.37Å; H162-H168 WeakPolarHBondContact O-CB 3.49Å |
| 163 | M | 90.9 | Very high | 91.4 | Very high | 73 Ų | 73 | 81.1 Ų | 81.1 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -32.1 | 177.6 | -68.2 | -60.8 | -57.3 | 0 | 0 | 112.4 | F159 R160 G165 H168 | F159-M163 HydrophobicContact CD1-CG 4.3Å; F159-M163 HydrophobicContact CE1-CG 3.9Å; F159-M163 HydrophobicContact CE1-SD 4.45Å; F159-M163 HydrophobicContact CE2-CG 4.22Å; F159-M163 HydrophobicContact CE2-SD 4.07Å; F159-M163 HydrophobicContact CZ-CG 3.86Å; F159-M163 HydrophobicContact CZ-SD 3.83Å; F159-M163 WeakPolarHBondContact O-CG 3.3Å; F159-M163 PolarHBondContact O-N 3.39Å; R160-M163 PolarHBondContact O-N 2.76Å; M163-G165 VanDerWaalsContact C-N 3.32Å; M163-H168 WeakPolarHBondContact CE-NE2 3.36Å; M163-H168 PolarHBondContact O-CD2 3.17Å; M163-H168 PolarHBondContact SD-CE1 3.42Å |
| 164 | Q | 91.6 | Very high | 91.4 | Very high | 162 Ų | 162 | 85.4 Ų | 85.4 | 76% | 0.757 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.9 | 174.9 | -64.9 | 173.4 | 2.7 | 0 | 0 | 113.3 | R160 S161 H162 | R160-Q164 WeakPolarHBondContact O-CG 3.36Å; R160-Q164 PolarHBondContact O-N 3.5Å; S161-Q164 PolarHBondContact O-N 3.47Å; H162-Q164 PolarHBondContact O-N 3.36Å |
| 165 | G | 93.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 84.2 Ų | 84.2 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -75.9 | 141.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S161 H162 M163 E167 H168 Q169 | S161-G165 PolarHBondContact O-N 3.4Å; S161-G165 VanDerWaalsContact O-N 3.11Å; H162-G165 WeakPolarHBondContact O-CA 3.38Å; H162-G165 PolarHBondContact O-N 2.9Å; M163-G165 VanDerWaalsContact C-N 3.32Å; G165-E167 VanDerWaalsContact C-N 3.25Å; G165-E167 PolarHBondContact O-N 2.87Å; G165-H168 PolarHBondContact O-N 2.9Å; G165-H168 VanDerWaalsContact O-N 3.1Å; G165-Q169 PolarHBondContact O-N 3.3Å |
| 166 | T | 90.7 | Very high | 91.5 | Very high | 97 Ų | 97 | 85.2 Ų | 85.2 | 60% | 0.595 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.5 | -35.4 | 179.5 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | Q169 I170 | T166-Q169 PolarHBondContact O-N 3.21Å; T166-I170 WeakPolarHBondContact O-CB 3.28Å; T166-I170 WeakPolarHBondContact O-CD1 3.45Å; T166-I170 WeakPolarHBondContact O-CG1 3.2Å; T166-I170 PolarHBondContact O-N 3.46Å |
| 167 | E | 90 | Very high | 91.4 | Very high | 135 Ų | 135 | 85.9 Ų | 85.9 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 176.2 | -62.1 | -170.7 | 163.3 | 0 | 0 | 112.9 | G165 K171 | G165-E167 VanDerWaalsContact C-N 3.25Å; G165-E167 PolarHBondContact O-N 2.87Å; E167-K171 WeakPolarHBondContact O-CG 3.44Å; E167-K171 PolarHBondContact O-N 3.11Å |
| 168 | H | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 84.9 Ų | 84.9 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.6 | -50.2 | 175.4 | 178.4 | 83.8 | 0 | 0 | 0 | 110.1 | C146 C149 H162 M163 G165 I170 K171 E172 | C146-H168 PolarHBondContact SG-CE1 2.95Å; C146-H168 PolarHBondContact SG-ND1 3.28Å; C149-H168 PolarHBondContact SG-ND1 3.49Å; H162-H168 AromaticContact CD2-ND1 3.84Å; H162-H168 AromaticContact NE2-CG 3.94Å; H162-H168 AromaticContact NE2-ND1 3.35Å; H162-H168 PolarHBondContact NE2-ND1 3.37Å; H162-H168 WeakPolarHBondContact O-CB 3.49Å; M163-H168 WeakPolarHBondContact CE-NE2 3.36Å; M163-H168 PolarHBondContact O-CD2 3.17Å; M163-H168 PolarHBondContact SD-CE1 3.42Å; G165-H168 PolarHBondContact O-N 2.9Å; G165-H168 VanDerWaalsContact O-N 3.1Å; H168-I170 VanDerWaalsContact C-N 3.29Å; H168-I170 PolarHBondContact O-N 2.6Å; H168-K171 PolarHBondContact O-N 2.87Å; H168-K171 VanDerWaalsContact O-N 3.1Å; H168-E172 WeakPolarHBondContact O-CB 3.25Å; H168-E172 PolarHBondContact O-N 2.67Å |
| 169 | Q | 89.6 | Confident | 90.9 | Very high | 122 Ų | 122 | 83.9 Ų | 83.9 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.5 | -37.7 | -179.8 | -170.6 | 177.3 | 52.6 | 0 | 0 | 112.7 | G165 T166 S173 | G165-Q169 PolarHBondContact O-N 3.3Å; T166-Q169 PolarHBondContact O-N 3.21Å; Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 3.34Å; Q169-S173 PolarHBondContact O-OG 2.89Å |
| 170 | I | 91.6 | Very high | 90.4 | Very high | 111 Ų | 111 | 87.7 Ų | 87.7 | 57% | 0.569 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.5 | -48.9 | 174.1 | -71.2 | 163 | 0 | 0 | 0 | 110.4 | T166 H168 S173 H174 | T166-I170 WeakPolarHBondContact O-CB 3.28Å; T166-I170 WeakPolarHBondContact O-CD1 3.45Å; T166-I170 WeakPolarHBondContact O-CG1 3.2Å; T166-I170 PolarHBondContact O-N 3.46Å; H168-I170 VanDerWaalsContact C-N 3.29Å; H168-I170 PolarHBondContact O-N 2.6Å; I170-S173 PolarHBondContact O-N 3.24Å; I170-S173 PolarHBondContact O-OG 3.34Å; I170-H174 PolarHBondContact O-N 3.42Å |
| 171 | K | 90.1 | Very high | 89.5 | Confident | 92 Ų | 92 | 85 Ų | 85 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -44 | 178.6 | -72.2 | 171.8 | 178.2 | 179.1 | 0 | 112.1 | I148 E167 H168 H174 V175 | I148-K171 HydrophobicContact CG2-CB 3.87Å; E167-K171 WeakPolarHBondContact O-CG 3.44Å; E167-K171 PolarHBondContact O-N 3.11Å; H168-K171 PolarHBondContact O-N 2.87Å; H168-K171 VanDerWaalsContact O-N 3.1Å; K171-H174 WeakPolarHBondContact O-CB 3.4Å; K171-H174 PolarHBondContact O-N 3.16Å; K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 3.03Å |
| 172 | E | 91.1 | Very high | 88.5 | Confident | 71 Ų | 71 | 85.5 Ų | 85.5 | 33% | 0.332 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57 | -50.1 | 173.5 | 179 | -174.7 | -154.6 | 0 | 0 | 110.9 | I148 H168 H174 V175 I176 | I148-E172 HydrophobicContact CD1-CB 3.89Å; I148-E172 HydrophobicContact CD1-CG 3.87Å; I148-E172 HydrophobicContact CG2-CB 4.32Å; H168-E172 WeakPolarHBondContact O-CB 3.25Å; H168-E172 PolarHBondContact O-N 2.67Å; E172-H174 PolarHBondContact O-N 3.01Å; E172-V175 PolarHBondContact O-N 3.05Å; E172-I176 HydrophobicContact CG-CD1 3.72Å; E172-I176 HydrophobicContact CG-CG1 4.42Å; E172-I176 WeakPolarHBondContact O-CB 3.44Å; E172-I176 WeakPolarHBondContact O-CG1 3.16Å; E172-I176 PolarHBondContact O-N 3.41Å |
| 173 | S | 88.9 | Confident | 87.9 | Confident | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -34.9 | 178.4 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | Q169 I170 N177 | Q169-S173 VanDerWaalsContact O-CB 3.29Å; Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 3.34Å; Q169-S173 PolarHBondContact O-OG 2.89Å; I170-S173 PolarHBondContact O-N 3.24Å; I170-S173 PolarHBondContact O-OG 3.34Å; S173-N177 VanDerWaalsContact O-CB 3.25Å; S173-N177 WeakPolarHBondContact O-CB 3.47Å; S173-N177 PolarHBondContact O-N 3.38Å; S173-N177 PolarHBondContact O-ND2 2.86Å |
| 174 | H | 91.1 | Very high | 87.1 | Confident | 113 Ų | 113 | 93.6 Ų | 93.6 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.7 | -46.9 | 176.9 | -178.1 | -113.3 | 0 | 0 | 0 | 111.7 | I170 K171 E172 N177 Q178 | I170-H174 PolarHBondContact O-N 3.42Å; K171-H174 WeakPolarHBondContact O-CB 3.4Å; K171-H174 PolarHBondContact O-N 3.16Å; E172-H174 PolarHBondContact O-N 3.01Å; H174-N177 PolarHBondContact O-N 3.38Å; H174-Q178 PolarHBondContact CE1-NE2 3.3Å; H174-Q178 PolarHBondContact NE2-NE2 2.6Å; H174-Q178 WeakPolarHBondContact O-CG 3.42Å; H174-Q178 PolarHBondContact O-N 3.14Å |
| 175 | V | 90.4 | Very high | 85.8 | Confident | 70 Ų | 70 | 92.1 Ų | 92.1 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.5 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | K171 E172 N177 Q178 V179 | K171-V175 WeakPolarHBondContact O-CG2 3.44Å; K171-V175 PolarHBondContact O-N 3.03Å; E172-V175 PolarHBondContact O-N 3.05Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.84Å; V175-Q178 PolarHBondContact O-N 2.92Å; V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.92Å |
| 176 | I | 90.1 | Very high | 84.5 | Confident | 70 Ų | 70 | 96.9 Ų | 96.9 | 36% | 0.359 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 177.9 | -69.3 | 172.7 | 0 | 0 | 0 | 111.4 | E172 K180 | E172-I176 HydrophobicContact CG-CD1 3.72Å; E172-I176 HydrophobicContact CG-CG1 4.42Å; E172-I176 WeakPolarHBondContact O-CB 3.44Å; E172-I176 WeakPolarHBondContact O-CG1 3.16Å; E172-I176 PolarHBondContact O-N 3.41Å; I176-K180 HydrophobicContact CG2-CD 3.94Å; I176-K180 VanDerWaalsContact CG2-CE 3.43Å; I176-K180 WeakPolarHBondContact O-CB 3.36Å; I176-K180 VanDerWaalsContact O-CG 3.27Å; I176-K180 WeakPolarHBondContact O-CG 3.46Å; I176-K180 PolarHBondContact O-N 3.01Å |
| 177 | N | 88.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 178.1 | -73.4 | -25.9 | 0 | 0 | 0 | 112.4 | S173 H174 V175 K180 N181 | S173-N177 VanDerWaalsContact O-CB 3.25Å; S173-N177 WeakPolarHBondContact O-CB 3.47Å; S173-N177 PolarHBondContact O-N 3.38Å; S173-N177 PolarHBondContact O-ND2 2.86Å; H174-N177 PolarHBondContact O-N 3.38Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.84Å; N177-K180 PolarHBondContact O-N 3.36Å; N177-N181 WeakPolarHBondContact O-CB 3.38Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.14Å |
| 178 | Q | 85.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 171.8 | -72.9 | -174.8 | 6.2 | 0 | 0 | 111.5 | H174 V175 K180 N181 S182 | H174-Q178 PolarHBondContact CE1-NE2 3.3Å; H174-Q178 PolarHBondContact NE2-NE2 2.6Å; H174-Q178 WeakPolarHBondContact O-CG 3.42Å; H174-Q178 PolarHBondContact O-N 3.14Å; V175-Q178 PolarHBondContact O-N 2.92Å; Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.38Å; Q178-N181 PolarHBondContact O-N 3.34Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; Q178-S182 PolarHBondContact O-N 2.98Å; Q178-S182 PolarHBondContact O-OG 2.79Å |
| 179 | V | 86.4 | Confident | 80.6 | Confident | 90 Ų | 90 | 96.9 Ų | 96.9 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | V175 S182 K183 | V175-V179 WeakPolarHBondContact O-CG2 3.34Å; V175-V179 PolarHBondContact O-N 2.92Å; V179-S182 WeakPolarHBondContact CA-OG 3.2Å; V179-S182 PolarHBondContact O-OG 3.36Å; V179-S182 VanDerWaalsContact O-OG 3.1Å; V179-K183 VanDerWaalsContact O-CB 3.26Å; V179-K183 WeakPolarHBondContact O-CB 3.26Å; V179-K183 PolarHBondContact O-N 2.77Å; V179-K183 VanDerWaalsContact O-N 3.07Å |
| 180 | K | 84.3 | Confident | 79.2 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.4 | -37.8 | 174.3 | -74.9 | 169.8 | -178.7 | 171.7 | 0 | 112.7 | I176 N177 Q178 K184 | I176-K180 HydrophobicContact CG2-CD 3.94Å; I176-K180 VanDerWaalsContact CG2-CE 3.43Å; I176-K180 WeakPolarHBondContact O-CB 3.36Å; I176-K180 VanDerWaalsContact O-CG 3.27Å; I176-K180 WeakPolarHBondContact O-CG 3.46Å; I176-K180 PolarHBondContact O-N 3.01Å; N177-K180 PolarHBondContact O-N 3.36Å; Q178-K180 VanDerWaalsContact C-N 3.29Å; Q178-K180 PolarHBondContact O-N 3.38Å; K180-K184 WeakPolarHBondContact O-CB 2.91Å; K180-K184 PolarHBondContact O-N 3.45Å |
| 181 | N | 73.3 | Confident | 77.7 | Confident | 100 Ų | 100 | 95 Ų | 95 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 178.9 | -73.4 | -26.6 | 0 | 0 | 0 | 111.7 | N177 Q178 K184 M185 | N177-N181 WeakPolarHBondContact O-CB 3.38Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.14Å; Q178-N181 PolarHBondContact O-N 3.34Å; Q178-N181 VanDerWaalsContact O-N 3.12Å; N181-K184 PolarHBondContact O-N 3.27Å; N181-M185 WeakPolarHBondContact O-CG 3.5Å; N181-M185 PolarHBondContact O-N 3.22Å |
| 182 | S | 73.9 | Confident | 76.2 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | Q178 V179 K184 M185 Q186 | Q178-S182 PolarHBondContact O-N 2.98Å; Q178-S182 PolarHBondContact O-OG 2.79Å; V179-S182 WeakPolarHBondContact CA-OG 3.2Å; V179-S182 PolarHBondContact O-OG 3.36Å; V179-S182 VanDerWaalsContact O-OG 3.1Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.35Å; S182-M185 PolarHBondContact O-N 3.29Å; S182-Q186 WeakPolarHBondContact O-CB 3.45Å; S182-Q186 PolarHBondContact O-N 3.42Å |
| 183 | K | 80.8 | Confident | 74.5 | Confident | 118 Ų | 118 | 97 Ų | 97 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 172.6 | 178.9 | 164.6 | 176.3 | 164 | 0 | 112.5 | V179 M185 Q186 E187 | V179-K183 VanDerWaalsContact O-CB 3.26Å; V179-K183 WeakPolarHBondContact O-CB 3.26Å; V179-K183 PolarHBondContact O-N 2.77Å; V179-K183 VanDerWaalsContact O-N 3.07Å; K183-M185 VanDerWaalsContact C-N 3.35Å; K183-M185 PolarHBondContact O-N 3.33Å; K183-Q186 WeakPolarHBondContact O-CB 3.45Å; K183-Q186 PolarHBondContact O-N 3.45Å; K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 HydrophobicContact CG-CG 4.42Å; K183-E187 IonicContact NZ-OE1 3.55Å; K183-E187 WeakPolarHBondContact O-CB 3.17Å; K183-E187 WeakPolarHBondContact O-CG 3.06Å; K183-E187 PolarHBondContact O-N 3.1Å |
| 184 | K | 73.6 | Confident | 73.1 | Confident | 149 Ų | 149 | 96.3 Ų | 96.3 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -37.1 | 176.9 | -173.4 | -178.7 | 177 | -171.5 | 0 | 112.6 | K180 N181 S182 S188 | K180-K184 WeakPolarHBondContact O-CB 2.91Å; K180-K184 PolarHBondContact O-N 3.45Å; N181-K184 PolarHBondContact O-N 3.27Å; S182-K184 VanDerWaalsContact C-N 3.33Å; S182-K184 PolarHBondContact O-N 3.35Å; K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 PolarHBondContact O-OG 3.46Å |
| 185 | M | 64.4 | Low | 71.5 | Confident | 131 Ų | 131 | 96 Ų | 96 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -40.6 | 173.6 | -70.2 | 177 | 65.9 | 0 | 0 | 111.5 | N181 S182 K183 S188 C189 | N181-M185 WeakPolarHBondContact O-CG 3.5Å; N181-M185 PolarHBondContact O-N 3.22Å; S182-M185 PolarHBondContact O-N 3.29Å; K183-M185 VanDerWaalsContact C-N 3.35Å; K183-M185 PolarHBondContact O-N 3.33Å; M185-S188 WeakPolarHBondContact CA-OG 3.36Å; M185-S188 PolarHBondContact O-N 3.37Å; M185-S188 PolarHBondContact O-OG 3.1Å; M185-C189 PolarHBondContact O-N 2.76Å; M185-C189 PolarHBondContact O-SG 3Å |
| 186 | Q | 66.9 | Low | 69.7 | Low | 124 Ų | 124 | 97.5 Ų | 97.5 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 174.5 | -168.6 | 178.8 | 17.2 | 0 | 0 | 111.8 | S182 K183 C189 Q190 | S182-Q186 WeakPolarHBondContact O-CB 3.45Å; S182-Q186 PolarHBondContact O-N 3.42Å; K183-Q186 WeakPolarHBondContact O-CB 3.45Å; K183-Q186 PolarHBondContact O-N 3.45Å; Q186-C189 PolarHBondContact O-N 3.03Å; Q186-Q190 WeakPolarHBondContact O-CG 3.33Å; Q186-Q190 PolarHBondContact O-N 2.1Å |
| 187 | E | 67.3 | Low | 68.4 | Low | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.4 | -74.4 | 173.6 | 179.8 | 0 | 0 | 112.5 | K183 A191 | K183-E187 WeakPolarHBondContact CE-OE1 3.42Å; K183-E187 HydrophobicContact CG-CG 4.42Å; K183-E187 IonicContact NZ-OE1 3.55Å; K183-E187 WeakPolarHBondContact O-CB 3.17Å; K183-E187 WeakPolarHBondContact O-CG 3.06Å; K183-E187 PolarHBondContact O-N 3.1Å; E187-A191 PolarHBondContact O-N 3.25Å |
| 188 | S | 70.4 | Confident | 66.9 | Low | 55 Ų | 55 | 101.7 Ų | 101.7 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 173.9 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | K184 M185 Q190 A191 E192 | K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 PolarHBondContact O-OG 3.46Å; M185-S188 WeakPolarHBondContact CA-OG 3.36Å; M185-S188 PolarHBondContact O-N 3.37Å; M185-S188 PolarHBondContact O-OG 3.1Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.48Å; S188-A191 WeakPolarHBondContact O-CB 3.32Å; S188-A191 PolarHBondContact O-N 3.14Å; S188-A191 VanDerWaalsContact O-N 3.16Å; S188-E192 PolarHBondContact O-N 2.96Å; S188-E192 VanDerWaalsContact O-N 3.11Å |
| 189 | C | 54.9 | Low | 65.5 | Low | 78 Ų | 78 | 103 Ų | 103 | 53% | 0.527 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | M185 Q186 C193 | M185-C189 PolarHBondContact O-N 2.76Å; M185-C189 PolarHBondContact O-SG 3Å; Q186-C189 PolarHBondContact O-N 3.03Å; C189-C193 WeakPolarHBondContact O-CB 3.48Å; C189-C193 PolarHBondContact O-N 2.86Å |
| 190 | Q | 59.4 | Low | 63.8 | Low | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.6 | -35.7 | 171.4 | -76.6 | -175.3 | -9.8 | 0 | 0 | 112.9 | Q186 S188 G194 | Q186-Q190 WeakPolarHBondContact O-CG 3.33Å; Q186-Q190 PolarHBondContact O-N 2.1Å; S188-Q190 VanDerWaalsContact C-N 3.3Å; S188-Q190 PolarHBondContact O-N 3.48Å; Q190-G194 PolarHBondContact O-N 2.79Å; Q190-G194 VanDerWaalsContact O-N 3.15Å |
| 191 | A | 60.9 | Low | 62.2 | Low | 63 Ų | 63 | 108.3 Ų | 108.3 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E187 S188 G194 | E187-A191 PolarHBondContact O-N 3.25Å; S188-A191 WeakPolarHBondContact O-CB 3.32Å; S188-A191 PolarHBondContact O-N 3.14Å; S188-A191 VanDerWaalsContact O-N 3.16Å; A191-G194 PolarHBondContact O-N 3.14Å |
| 192 | E | 58.8 | Low | 61 | Low | 137 Ų | 137 | 108.1 Ų | 108.1 | 64% | 0.64 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63 | -43.7 | 177.4 | -69.3 | 174.1 | 175.6 | 0 | 0 | 111.7 | S188 G194 D195 | S188-E192 PolarHBondContact O-N 2.96Å; S188-E192 VanDerWaalsContact O-N 3.11Å; E192-G194 PolarHBondContact O-N 2.78Å; E192-D195 PolarHBondContact O-N 3.04Å |
| 193 | C | 55.8 | Low | 59.7 | Low | 70 Ų | 70 | 115.6 Ų | 115.6 | 47% | 0.473 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -24.2 | 177.5 | -162.9 | 0 | 0 | 0 | 0 | 113.5 | C189 I197 | C189-C193 WeakPolarHBondContact O-CB 3.48Å; C189-C193 PolarHBondContact O-N 2.86Å; C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 2.96Å |
| 194 | G | 59.6 | Low | 58.1 | Low | 37 Ų | 37 | 118 Ų | 118 | 38% | 0.381 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q190 A191 E192 K198 | Q190-G194 PolarHBondContact O-N 2.79Å; Q190-G194 VanDerWaalsContact O-N 3.15Å; A191-G194 PolarHBondContact O-N 3.14Å; E192-G194 PolarHBondContact O-N 2.78Å; G194-K198 PolarHBondContact O-N 3.29Å |
| 195 | D | 56.8 | Low | 56.9 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.4 | -33.9 | 179.1 | -79.9 | -35.9 | 0 | 0 | 0 | 112.1 | E192 I197 K198 M199 | E192-D195 PolarHBondContact O-N 3.04Å; D195-I197 PolarHBondContact O-N 3.24Å; D195-K198 CarbonylContact O-C 3.59Å; D195-K198 WeakPolarHBondContact O-CA 3.29Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 VanDerWaalsContact O-N 3.11Å; D195-M199 PolarHBondContact O-N 2.9Å |
| 196 | D | 53.3 | Low | 55.4 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.6 | -38.5 | 173.9 | -75.1 | -31.9 | 0 | 0 | 0 | 112.8 | K198 M199 K200 | D196-K198 VanDerWaalsContact C-N 3.25Å; D196-K198 PolarHBondContact O-N 3.34Å; D196-M199 PolarHBondContact O-N 3.23Å; D196-K200 PolarHBondContact O-N 3.03Å |
| 197 | I | 61.6 | Low | 53.9 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 174.3 | -66.6 | 166.9 | 0 | 0 | 0 | 110.6 | C193 D195 K201 | C193-I197 WeakPolarHBondContact O-CG1 3.37Å; C193-I197 PolarHBondContact O-N 2.96Å; D195-I197 PolarHBondContact O-N 3.24Å; I197-K201 PolarHBondContact O-N 2.92Å; I197-K201 VanDerWaalsContact O-N 3.14Å |
| 198 | K | 57.9 | Low | 52.4 | Low | 148 Ų | 148 | 121.3 Ų | 121.3 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.8 | -31.1 | 177.5 | -160.4 | 178 | -178.2 | -177.9 | 0 | 112.4 | G194 D195 D196 S202 | G194-K198 PolarHBondContact O-N 3.29Å; D195-K198 CarbonylContact O-C 3.59Å; D195-K198 WeakPolarHBondContact O-CA 3.29Å; D195-K198 WeakPolarHBondContact O-CB 3.37Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 VanDerWaalsContact O-N 3.11Å; D196-K198 VanDerWaalsContact C-N 3.25Å; D196-K198 PolarHBondContact O-N 3.34Å; K198-S202 PolarHBondContact O-N 3.32Å; K198-S202 PolarHBondContact O-OG 2.79Å; K198-S202 VanDerWaalsContact O-OG 3.12Å |
| 199 | M | 54.9 | Low | 51.1 | Low | 136 Ų | 136 | 122.4 Ų | 122.4 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.9 | -31.1 | 173.8 | -163.7 | 175.9 | -174.7 | 0 | 0 | 112.7 | D195 D196 S202 | D195-M199 PolarHBondContact O-N 2.9Å; D196-M199 PolarHBondContact O-N 3.23Å; M199-S202 PolarHBondContact O-OG 3.2Å |
| 200 | K | 51.6 | Low | 49.7 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.5 | -45.4 | 170.9 | -75.7 | 177.6 | 177.7 | 172.8 | 0 | 112.3 | D196 S202 R203 | D196-K200 PolarHBondContact O-N 3.03Å; K200-S202 PolarHBondContact O-N 3.26Å; K200-R203 PolarHBondContact O-N 3.1Å; K200-R203 VanDerWaalsContact O-N 3.07Å |
| 201 | K | 50.9 | Low | 48.4 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64 | -20 | 178.8 | -76.4 | -179.2 | 175.6 | 179.8 | 0 | 114.8 | I197 | I197-K201 PolarHBondContact O-N 2.92Å; I197-K201 VanDerWaalsContact O-N 3.14Å |
| 202 | S | 46.3 | Very low | 47.2 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -0.4 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | K198 M199 K200 | K198-S202 PolarHBondContact O-N 3.32Å; K198-S202 PolarHBondContact O-OG 2.79Å; K198-S202 VanDerWaalsContact O-OG 3.12Å; M199-S202 PolarHBondContact O-OG 3.2Å; K200-S202 PolarHBondContact O-N 3.26Å |
| 203 | R | 47.2 | Very low | 46.2 | Very low | 226 Ų | 226 | 138.1 Ų | 138.1 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -102.1 | -1.3 | 175 | -172.9 | 170.4 | -88.8 | -144.7 | -1.7 | 113.5 | K200 | K200-R203 PolarHBondContact O-N 3.1Å; K200-R203 VanDerWaalsContact O-N 3.07Å |
| 204 | E | 47.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | | | trans | -106 | 50.8 | -175.7 | -159.5 | 172.5 | -157.2 | 0 | 0 | 113.4 | | |
| 205 | L | 48.1 | Very low | 43.8 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -137 | 142.7 | 162.9 | -76.6 | 177.4 | 0 | 0 | 0 | 110 | | |
| 206 | E | 33.1 | Very low | 42.7 | Very low | 128 Ų | 128 | 151 Ų | 151 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | | | trans | 75.7 | 77.3 | -176.3 | -58 | -66.1 | 116.7 | 0 | 0 | 117.2 | K208 | E206-K208 HydrophobicContact CB-CG 4.4Å; E206-K208 PolarHBondContact O-N 3.43Å; E206-K208 IonicContact OE2-NZ 2.61Å; E206-K208 PolarHBondContact OE2-NZ 3.17Å |
| 207 | P | 35 | Very low | 41.7 | Very low | 135 Ų | 135 | 153.1 Ų | 153.1 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | | | trans | -68 | 75.2 | 148.5 | 32.8 | -33.4 | 0 | 0 | 0 | 109.3 | G209 | P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.88Å |
| 208 | K | 36.7 | Very low | 40.3 | Very low | 155 Ų | 155 | 159.1 Ų | 159.1 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | -69.3 | 93.2 | 168.1 | -89.5 | -178 | 172.9 | 66.3 | 0 | 108.7 | E206 H210 | E206-K208 HydrophobicContact CB-CG 4.4Å; E206-K208 PolarHBondContact O-N 3.43Å; E206-K208 IonicContact OE2-NZ 2.61Å; E206-K208 PolarHBondContact OE2-NZ 3.17Å; K208-H210 VanDerWaalsContact C-N 3.27Å; K208-H210 PolarHBondContact O-N 3.3Å |
| 209 | G | 42.3 | Very low | 39.6 | Very low | 78 Ų | 78 | 159.9 Ų | 159.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 87.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P207 | P207-G209 VanDerWaalsContact C-N 3.33Å; P207-G209 PolarHBondContact O-N 2.88Å |
| 210 | H | 27 | Very low | 38.7 | Very low | 156 Ų | 156 | 163.1 Ų | 163.1 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -104.2 | 93.8 | 172 | -151.7 | 68.3 | 0 | 0 | 0 | 107.9 | K208 R212 | K208-H210 VanDerWaalsContact C-N 3.27Å; K208-H210 PolarHBondContact O-N 3.3Å; H210-R212 PolarHBondContact O-N 3.43Å; H210-R212 VanDerWaalsContact O-N 3.12Å |
| 211 | F | 30.6 | Very low | 37.8 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | trans | -57.7 | 115.9 | 166.8 | -100.8 | -102.7 | 0 | 0 | 0 | 108.5 | | |
| 212 | R | 36 | Very low | 36.8 | Very low | 218 Ų | 218 | 160.5 Ų | 160.5 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | trans | -114.9 | 107.8 | 150 | -85.6 | -174.4 | 174.3 | -104.5 | 0.4 | 106.4 | H210 | H210-R212 PolarHBondContact O-N 3.43Å; H210-R212 VanDerWaalsContact O-N 3.12Å |
| 213 | E | 37.5 | Very low | 36.1 | Very low | 171 Ų | 171 | 160.6 Ų | 160.6 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | | | trans | -59.8 | 135.4 | 155.7 | -70.7 | 170.1 | 132.9 | 0 | 0 | 107.3 | | |
| 214 | M | 29.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 158.7 Ų | 158.7 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | | | trans | -98.6 | 110.8 | 171.4 | -168.1 | 145.1 | -163.5 | 0 | 0 | 106.9 | D216 | M214-D216 PolarHBondContact O-N 3.48Š|
| 215 | E | 35.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -75.8 | 91.1 | -180 | -67.8 | 169.5 | 119.9 | 0 | 0 | 109.6 | N217 | E215-N217 PolarHBondContact O-N 3.48Š|
| 216 | D | 34.2 | Very low | 33.7 | Very low | 147 Ų | 147 | 159.4 Ų | 159.4 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -70.4 | 90.3 | 172.9 | -75.1 | -29.1 | 0 | 0 | 0 | 110.7 | M214 | M214-D216 PolarHBondContact O-N 3.48Š|
| 217 | N | 31.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 161.3 Ų | 161.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -111.7 | 89.8 | 167.5 | -83.4 | -56.4 | 0 | 0 | 0 | 110 | E215 | E215-N217 PolarHBondContact O-N 3.48Š|
| 218 | Y | 33 | Very low | 33.6 | Very low | 218 Ų | 218 | 162.1 Ų | 162.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -145 | 92.8 | 161.9 | -148 | -92.4 | 0 | 0 | 0 | 113.3 | | |
| 219 | M | 42.7 | Very low | 33.6 | Very low | 164 Ų | 164 | 163 Ų | 163 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | 47.1 | 96.2 | 146.7 | -53 | -62.6 | -77.4 | 0 | 0 | 118.4 | | |
| 220 | E | 35.7 | Very low | 33.3 | Very low | 204 Ų | 204 | 165.3 Ų | 165.3 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | | | trans | -130.2 | 147.5 | 138.6 | -167.2 | 137.9 | -140.9 | 0 | 0 | 110.2 | | |
| 221 | A | 33.9 | Very low | 33.4 | Very low | 83 Ų | 83 | 164.5 Ų | 164.5 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | | | trans | -103.5 | 146 | -156.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 222 | Q | 29.1 | Very low | 33.6 | Very low | 190 Ų | 190 | 160.1 Ų | 160.1 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | 61.6 | 80.8 | 136 | -164.8 | 178.2 | 12.9 | 0 | 0 | 118.2 | | |
| 223 | A | 32 | Very low | 33.7 | Very low | 98 Ų | 98 | 159.5 Ų | 159.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -152.2 | 127.2 | 138 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 224 | H | 30.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 159.3 | 161.9 | -74.1 | -128.8 | 0 | 0 | 0 | 108.4 | | |
| 225 | E | 32.2 | Very low | 33.8 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | | -172.1 | 155.1 | 51.2 | -167.1 | 174.1 | 169 | 0 | 0 | 112.6 | | |
| 226 | Y | 30.9 | Very low | 33.7 | Very low | 170 Ų | 170 | 159.2 Ų | 159.2 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | 69.1 | 106 | 165.2 | -114.5 | -114.8 | 0 | 0 | 0 | 118.8 | | |
| 227 | R | 34.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 63% | 0.634 | 79% | 0.787 | S | S | * | * | | | | 73.6 | 127.7 | 88.7 | -154.1 | -140.6 | -99.2 | -112.4 | 7.6 | 112 | | |
| 228 | E | 31.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 162.7 Ų | 162.7 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | cis | -149.7 | 159.8 | 26.6 | -157.5 | 147.9 | -128.7 | 0 | 0 | 112.1 | | |
| 229 | M | 36.4 | Very low | 33.3 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -85.8 | 157 | 173.3 | -72.2 | 174.1 | -85.5 | 0 | 0 | 111.7 | | |
| 230 | V | 35.1 | Very low | 32.7 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | | | | 146.3 | 122.2 | 123.1 | 170.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 231 | D | 30.6 | Very low | 32.3 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | 67.8 | 98.9 | 153.7 | -76.5 | -39 | 0 | 0 | 0 | 124.7 | | |
| 232 | S | 33.3 | Very low | 32 | Very low | 101 Ų | 101 | 160.7 Ų | 160.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 81 | 110.8 | 104 | -68.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 233 | R | 39.2 | Very low | 32 | Very low | 205 Ų | 205 | 159 Ų | 159 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | 86.4 | 106.6 | 132.9 | -160.6 | -173.3 | -154.5 | -177.1 | 9.9 | 119.2 | | |
| 234 | P | 36.3 | Very low | 32.5 | Very low | 129 Ų | 129 | 159.7 Ų | 159.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -92.8 | 138.3 | 152.3 | -4 | 24.1 | 0 | 0 | 0 | 111.6 | | |
| 235 | R | 32.1 | Very low | 32.3 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | -90.6 | 145.9 | 168.5 | -67.8 | -173.7 | -177.9 | -151.1 | 4.6 | 110.9 | K237 | R235-K237 PolarHBondContact O-N 3.33Š|
| 236 | H | 34.1 | Very low | 32 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | trans | -25 | 114.6 | 160.4 | 179.1 | -83.6 | 0 | 0 | 0 | 115.6 | | |
| 237 | K | 34.3 | Very low | 32 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -142.7 | 126.3 | 154.1 | -73.8 | -169.7 | 177.7 | -178.5 | 0 | 108.7 | R235 | R235-K237 PolarHBondContact O-N 3.33Š|
| 238 | M | 28.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 155.4 Ų | 155.4 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | trans | -77.2 | 149.7 | 163.9 | -66.8 | -169.7 | 72.2 | 0 | 0 | 109.6 | | |
| 239 | L | 27.4 | Very low | 31.5 | Very low | 145 Ų | 145 | 159.3 Ų | 159.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -143.8 | 116.6 | 166.5 | -111 | 161 | 0 | 0 | 0 | 107.5 | | |
| 240 | E | 30 | Very low | 31 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -61.8 | 134 | 158.4 | -67.6 | 171.6 | 120.3 | 0 | 0 | 108 | | |
| 241 | Q | 26.8 | Very low | 30.7 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -135.8 | 117.9 | 163.3 | -73.2 | -167 | -19.2 | 0 | 0 | 108.6 | | |
| 242 | T | 28 | Very low | 31.1 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -116.3 | 134.1 | 171.6 | -27.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 243 | L | 29.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 155 Ų | 155 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | trans | 75.1 | 170.9 | 164.2 | -43.9 | -177.3 | 0 | 0 | 0 | 116.6 | | |
| 244 | P | 41.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -138.2 | 179.1 | -63.8 | 40.9 | -26.1 | 0 | 0 | 0 | 113.4 | | |
| 245 | L | 25.7 | Very low | 31.2 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -134.2 | 142.5 | 161.2 | -130.1 | 74.5 | 0 | 0 | 0 | 106.8 | | |
| 246 | E | 26.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | cis | -154 | 141.2 | 8.8 | -162.5 | 162.5 | 174.1 | 0 | 0 | 112.2 | | |
| 247 | N | 30.3 | Very low | 31 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | | | trans | 27 | 131 | 152.9 | -55.9 | -32 | 0 | 0 | 0 | 122.3 | | |
| 248 | F | 29 | Very low | 31 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | | -163.8 | 130.4 | 102.2 | -94.4 | -57.5 | 0 | 0 | 0 | 114.2 | | |
| 249 | W | 26.4 | Very low | 31 | Very low | 236 Ų | 236 | 149.2 Ų | 149.2 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | trans | 51.4 | 120.1 | 162.6 | -64.9 | 100.4 | 0 | 0 | 0 | 122.3 | | |
| 250 | A | 26.7 | Very low | 31.1 | Very low | 68 Ų | 68 | 146.7 Ų | 146.7 | 56% | 0.562 | 77% | 0.77 | S | S | * | * | | | trans | -81.7 | 167.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 251 | H | 28.4 | Very low | 31 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | | -166.6 | 179.5 | 54.4 | -105 | -49.9 | 0 | 0 | 0 | 111.7 | | |
| 252 | P | 38.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -105.5 | 166.7 | -146.6 | 41.3 | -38.3 | 0 | 0 | 0 | 116.6 | | |
| 253 | G | 27 | Very low | 31.2 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | | | trans | -172.9 | 130 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 254 | P | 55 | Low | 31.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | -100.2 | 154.6 | -173.8 | 37.6 | -33.8 | 0 | 0 | 0 | 113.6 | | |
| 255 | Y | 28.5 | Very low | 30.8 | Very low | 232 Ų | 232 | 146.3 Ų | 146.3 | 91% | 0.91 | 75% | 0.753 | S | S | * | * | | | trans | -152.1 | 129.3 | 153.8 | -116.5 | -83.3 | 0 | 0 | 0 | 113.1 | | |
| 256 | N | 32.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -56.1 | 173.5 | 164.6 | -50.9 | -22 | 0 | 0 | 0 | 111.5 | | |
| 257 | D | 30.3 | Very low | 31.8 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | cis | -170.6 | 169.8 | 0.6 | -125.1 | -32.3 | 0 | 0 | 0 | 106.4 | | |
| 258 | S | 34.7 | Very low | 31.8 | Very low | 84 Ų | 84 | 147 Ų | 147 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | | | cis | -165.1 | 174.7 | -8.3 | -143.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 259 | R | 28.9 | Very low | 32.2 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | 41.2 | 115.7 | 147.3 | -72.7 | 174.9 | 168.6 | -167.7 | -4 | 122.4 | | |
| 260 | A | 29.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | | -167.9 | 125.6 | 113.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 261 | L | 27.6 | Very low | 33 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | | 58.5 | 117.2 | 78.9 | -156.5 | 79.9 | 0 | 0 | 0 | 110.4 | | |
| 262 | E | 28 | Very low | 33.3 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | cis | -149.2 | 142.1 | 19.3 | -117.1 | 146 | -164.5 | 0 | 0 | 107.3 | | |
| 263 | E | 31.5 | Very low | 33.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | | 55.3 | 127.2 | 95.9 | -67.6 | -157.8 | -152.2 | 0 | 0 | 115.7 | | |
| 264 | Q | 31.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | cis | -146.2 | 150.6 | 0 | -55.4 | -170.1 | -9.5 | 0 | 0 | 111.5 | | |
| 265 | L | 30.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | -130.5 | 120.3 | 162.7 | -108.7 | 174.9 | 0 | 0 | 0 | 108.9 | | |
| 266 | P | 40.2 | Very low | 33.8 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -91.1 | 96.9 | 165.9 | 3.2 | 16.1 | 0 | 0 | 0 | 109.7 | | |
| 267 | H | 32.6 | Very low | 34.8 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -82 | 121.7 | 158.1 | -72.3 | -65.7 | 0 | 0 | 0 | 109.2 | | |
| 268 | N | 30.3 | Very low | 36.8 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | trans | -152.9 | 112.8 | 154.2 | -93.4 | -57.9 | 0 | 0 | 0 | 110 | | |
| 269 | L | 37.1 | Very low | 37.9 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | -89.2 | 135.9 | 164.2 | -70 | 168.9 | 0 | 0 | 0 | 109 | | |
| 270 | P | 34.1 | Very low | 39.7 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | -94.9 | 122.7 | 153.3 | -3.4 | 23.2 | 0 | 0 | 0 | 109.4 | E272 | P270-E272 PolarHBondContact O-N 3.15Š|
| 271 | A | 37.6 | Very low | 41.7 | Very low | 104 Ų | 104 | 134 Ų | 134 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | | | trans | -81.9 | 100.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 272 | E | 34.8 | Very low | 44.1 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | | | trans | -139.9 | 103.6 | 156.7 | -76 | -162.7 | 173.3 | 0 | 0 | 110.1 | P270 K274 | P270-E272 PolarHBondContact O-N 3.15Å; E272-K274 VanDerWaalsContact C-N 3.3Å; E272-K274 PolarHBondContact O-N 2.98Å; E272-K274 WeakPolarHBondContact OE2-CE 3.16Å; E272-K274 IonicContact OE2-NZ 2.89Å; E272-K274 PolarHBondContact OE2-NZ 3.2Å |
| 273 | S | 38.5 | Very low | 46.3 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | | | trans | -75.8 | 80 | 175 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 274 | K | 35.1 | Very low | 48.7 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 66% | 0.661 | 68% | 0.683 | S | S | * | * | | | trans | -87.8 | 127.7 | 160.4 | -74.9 | 162.5 | 178.1 | 147.2 | 0 | 107.8 | E272 Y276 | E272-K274 VanDerWaalsContact C-N 3.3Å; E272-K274 PolarHBondContact O-N 2.98Å; E272-K274 WeakPolarHBondContact OE2-CE 3.16Å; E272-K274 IonicContact OE2-NZ 2.89Å; E272-K274 PolarHBondContact OE2-NZ 3.2Å; K274-Y276 PolarHBondContact O-N 2.62Å |
| 275 | T | 49.3 | Very low | 51 | Low | 157 Ų | 157 | 125.6 Ų | 125.6 | 96% | 0.963 | 67% | 0.673 | S | S | * | * | | | trans | -63.4 | 106.7 | 178.9 | -34.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 276 | Y | 35.6 | Very low | 53.2 | Low | 172 Ų | 172 | 126 Ų | 126 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | | | trans | -119 | 120.7 | -167.3 | -166.3 | -121.3 | 0 | 0 | 0 | 108.7 | K274 S278 D281 | K274-Y276 PolarHBondContact O-N 2.62Å; Y276-S278 PolarHBondContact O-N 3.15Å; Y276-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y276-D281 WeakPolarHBondContact CE2-OD2 3.21Å; Y276-D281 VanDerWaalsContact CZ-OD1 3.24Å; Y276-D281 PolarHBondContact OH-OD1 3.09Å; Y276-D281 PolarHBondContact OH-OD2 3.22Å |
| 277 | D | 53 | Low | 55 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 44% | 0.439 | 65% | 0.645 | S | S | . | * | | | trans | -91.4 | 92.1 | -173.5 | -178 | 12.7 | 0 | 0 | 0 | 109.8 | F279 Q280 | D277-F279 PolarHBondContact O-N 2.81Å; D277-Q280 HydrophobicContact CB-CG 4.32Å; D277-Q280 PolarHBondContact O-N 3.43Å; D277-Q280 PolarHBondContact OD2-NE2 2.76Å |
| 278 | S | 72.6 | Confident | 57.1 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -50.4 | -21.9 | -172.8 | -171.4 | 0 | 0 | 0 | 0 | 115.3 | Y276 E282 | Y276-S278 PolarHBondContact O-N 3.15Å; S278-E282 PolarHBondContact O-N 3.44Å |
| 279 | F | 57.5 | Low | 59.4 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 69% | 0.693 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.9 | -25 | 177.9 | -81.8 | -80 | 0 | 0 | 0 | 113.9 | D277 L283 | D277-F279 PolarHBondContact O-N 2.81Å; F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.12Å |
| 280 | Q | 67.3 | Low | 60.5 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.2 | -53.1 | 178.9 | -66.2 | -179.3 | 32.9 | 0 | 0 | 109.5 | D277 E282 L283 E284 | D277-Q280 HydrophobicContact CB-CG 4.32Å; D277-Q280 PolarHBondContact O-N 3.43Å; D277-Q280 PolarHBondContact OD2-NE2 2.76Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.44Å; Q280-L283 CarbonylContact O-C 3.58Å; Q280-L283 WeakPolarHBondContact O-CA 3.04Å; Q280-L283 WeakPolarHBondContact O-CB 3.41Å; Q280-L283 PolarHBondContact O-N 3.31Å; Q280-E284 PolarHBondContact O-N 3.48Å; Q280-E284 VanDerWaalsContact O-OE2 3.06Å |
| 281 | D | 70.7 | Confident | 61.8 | Low | 60 Ų | 60 | 111.1 Ų | 111.1 | 32% | 0.321 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.2 | -35.9 | -179.6 | -56.9 | -89.9 | 0 | 0 | 0 | 113.4 | Y276 E284 D285 | Y276-D281 WeakPolarHBondContact CE1-OD2 3.37Å; Y276-D281 WeakPolarHBondContact CE2-OD2 3.21Å; Y276-D281 VanDerWaalsContact CZ-OD1 3.24Å; Y276-D281 PolarHBondContact OH-OD1 3.09Å; Y276-D281 PolarHBondContact OH-OD2 3.22Å; D281-E284 PolarHBondContact O-N 3.23Å; D281-D285 PolarHBondContact O-N 2.99Å |
| 282 | E | 79.6 | Confident | 62.8 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -37.9 | 173.5 | -168.7 | 175.2 | -159 | 0 | 0 | 112 | S278 Q280 Y286 | S278-E282 PolarHBondContact O-N 3.44Å; Q280-E282 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.44Å; E282-Y286 VanDerWaalsContact O-CB 3.26Å; E282-Y286 WeakPolarHBondContact O-CB 3.26Å; E282-Y286 PolarHBondContact O-N 2.89Å |
| 283 | L | 73.2 | Confident | 64.3 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.2 | -41.1 | 174.1 | -179.9 | 62.2 | 0 | 0 | 0 | 111.8 | F279 Q280 Y286 I287 | F279-L283 VanDerWaalsContact O-CB 3.25Å; F279-L283 WeakPolarHBondContact O-CB 3.41Å; F279-L283 PolarHBondContact O-N 3.12Å; Q280-L283 CarbonylContact O-C 3.58Å; Q280-L283 WeakPolarHBondContact O-CA 3.04Å; Q280-L283 WeakPolarHBondContact O-CB 3.41Å; Q280-L283 PolarHBondContact O-N 3.31Å; L283-Y286 PolarHBondContact O-N 3.07Å; L283-I287 HydrophobicContact CD1-CD1 4.01Å; L283-I287 HydrophobicContact CD1-CG1 4.32Å; L283-I287 HydrophobicContact CG-CD1 3.87Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 WeakPolarHBondContact O-CD1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 2.83Å; L283-I287 PolarHBondContact O-N 3.17Å |
| 284 | E | 81.3 | Confident | 64.9 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -47.2 | 176.3 | -99.2 | 67.7 | -100 | 0 | 0 | 111.5 | Q280 D281 I287 K288 | Q280-E284 PolarHBondContact O-N 3.48Å; Q280-E284 VanDerWaalsContact O-OE2 3.06Å; D281-E284 PolarHBondContact O-N 3.23Å; E284-I287 PolarHBondContact O-N 3.35Å; E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3Å |
| 285 | D | 79.9 | Confident | 65.7 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.8 | -30 | 176.9 | -103.3 | 3.4 | 0 | 0 | 0 | 112.2 | D281 K288 G289 | D281-D285 PolarHBondContact O-N 2.99Å; D285-K288 VanDerWaalsContact OD1-CD 3.26Å; D285-K288 WeakPolarHBondContact OD1-CD 3.46Å; D285-K288 IonicContact OD1-NZ 3.91Å; D285-K288 PolarHBondContact OD1-NZ 3.4Å; D285-G289 WeakPolarHBondContact O-CA 3.35Å; D285-G289 PolarHBondContact O-N 3.07Å |
| 286 | Y | 77.4 | Confident | 65.6 | Low | 147 Ų | 147 | 107.5 Ų | 107.5 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -47.8 | 168.5 | -177.1 | -98.3 | 0 | 0 | 0 | 111.7 | E282 L283 K288 G289 Q290 | E282-Y286 VanDerWaalsContact O-CB 3.26Å; E282-Y286 WeakPolarHBondContact O-CB 3.26Å; E282-Y286 PolarHBondContact O-N 2.89Å; L283-Y286 PolarHBondContact O-N 3.07Å; Y286-K288 VanDerWaalsContact C-N 3.33Å; Y286-K288 PolarHBondContact O-N 3.02Å; Y286-G289 CarbonylContact O-C 3.44Å; Y286-G289 PolarHBondContact O-N 2.95Å; Y286-Q290 HydrophobicContact CD1-CG 4.31Å; Y286-Q290 HydrophobicContact CE1-CG 3.97Å; Y286-Q290 WeakPolarHBondContact O-CG 3.25Å; Y286-Q290 PolarHBondContact O-N 3.33Å; Y286-Q290 PolarHBondContact OH-NE2 3.1Å |
| 287 | I | 78.4 | Confident | 66.1 | Low | 64 Ų | 64 | 103 Ų | 103 | 33% | 0.328 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.6 | -72.8 | 165.9 | 0 | 0 | 0 | 111.1 | L283 E284 Q290 K291 | L283-I287 HydrophobicContact CD1-CD1 4.01Å; L283-I287 HydrophobicContact CD1-CG1 4.32Å; L283-I287 HydrophobicContact CG-CD1 3.87Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 WeakPolarHBondContact O-CD1 3.27Å; L283-I287 WeakPolarHBondContact O-CG1 2.83Å; L283-I287 PolarHBondContact O-N 3.17Å; E284-I287 PolarHBondContact O-N 3.35Å; I287-Q290 PolarHBondContact O-N 3.22Å; I287-K291 HydrophobicContact CG2-CD 4.07Å; I287-K291 WeakPolarHBondContact O-CG 3.47Å; I287-K291 PolarHBondContact O-N 3.42Å |
| 288 | K | 76 | Confident | 65.6 | Low | 134 Ų | 134 | 106.4 Ų | 106.4 | 58% | 0.583 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.3 | -39.4 | 176 | -172.8 | -174.2 | 176.6 | -169 | 0 | 111.5 | E284 D285 Y286 Q290 K291 A292 | E284-K288 WeakPolarHBondContact O-CB 3.46Å; E284-K288 PolarHBondContact O-N 3Å; D285-K288 VanDerWaalsContact OD1-CD 3.26Å; D285-K288 WeakPolarHBondContact OD1-CD 3.46Å; D285-K288 IonicContact OD1-NZ 3.91Å; D285-K288 PolarHBondContact OD1-NZ 3.4Å; Y286-K288 VanDerWaalsContact C-N 3.33Å; Y286-K288 PolarHBondContact O-N 3.02Å; K288-Q290 VanDerWaalsContact C-N 3.31Å; K288-Q290 PolarHBondContact O-N 3.12Å; K288-K291 PolarHBondContact O-N 2.9Å; K288-A292 WeakPolarHBondContact O-CB 3.44Å; K288-A292 PolarHBondContact O-N 3.19Å |
| 289 | G | 77.9 | Confident | 64 | Low | 24 Ų | 24 | 106.7 Ų | 106.7 | 25% | 0.247 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -68.3 | -23.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | D285 Y286 R293 | D285-G289 WeakPolarHBondContact O-CA 3.35Å; D285-G289 PolarHBondContact O-N 3.07Å; Y286-G289 CarbonylContact O-C 3.44Å; Y286-G289 PolarHBondContact O-N 2.95Å; G289-R293 WeakPolarHBondContact O-CD 3.47Å; G289-R293 WeakPolarHBondContact O-CG 3.47Å; G289-R293 PolarHBondContact O-NE 2.92Å |
| 290 | Q | 61.3 | Low | 62.9 | Low | 57 Ų | 57 | 104.7 Ų | 104.7 | 27% | 0.266 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -79.5 | -48 | 168.5 | -69.3 | -65.4 | -15.5 | 0 | 0 | 111.2 | Y286 I287 K288 A292 R293 | Y286-Q290 HydrophobicContact CD1-CG 4.31Å; Y286-Q290 HydrophobicContact CE1-CG 3.97Å; Y286-Q290 WeakPolarHBondContact O-CG 3.25Å; Y286-Q290 PolarHBondContact O-N 3.33Å; Y286-Q290 PolarHBondContact OH-NE2 3.1Å; I287-Q290 PolarHBondContact O-N 3.22Å; K288-Q290 VanDerWaalsContact C-N 3.31Å; K288-Q290 PolarHBondContact O-N 3.12Å; Q290-A292 VanDerWaalsContact C-N 3.29Å; Q290-A292 PolarHBondContact O-N 3.27Å; Q290-R293 PolarHBondContact O-N 3.21Å |
| 291 | K | 60.1 | Low | 61.2 | Low | 133 Ų | 133 | 108.1 Ų | 108.1 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.5 | -38.7 | 177.1 | -74.6 | 169.8 | 179.2 | 173.4 | 0 | 113 | I287 K288 R293 G294 | I287-K291 HydrophobicContact CG2-CD 4.07Å; I287-K291 WeakPolarHBondContact O-CG 3.47Å; I287-K291 PolarHBondContact O-N 3.42Å; K288-K291 PolarHBondContact O-N 2.9Å; K291-R293 PolarHBondContact O-N 3.05Å; K291-G294 PolarHBondContact O-N 3.02Å |
| 292 | A | 59.3 | Low | 59.5 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -15.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K288 Q290 | K288-A292 WeakPolarHBondContact O-CB 3.44Å; K288-A292 PolarHBondContact O-N 3.19Å; Q290-A292 VanDerWaalsContact C-N 3.29Å; Q290-A292 PolarHBondContact O-N 3.27Å |
| 293 | R | 67.1 | Low | 57.4 | Low | 188 Ų | 188 | 119.2 Ų | 119.2 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 5.1 | 177.8 | -62.8 | 174.7 | -149.6 | -116.1 | 2.6 | 113.3 | G289 Q290 K291 L295 | G289-R293 WeakPolarHBondContact O-CD 3.47Å; G289-R293 WeakPolarHBondContact O-CG 3.47Å; G289-R293 PolarHBondContact O-NE 2.92Å; Q290-R293 PolarHBondContact O-N 3.21Å; K291-R293 PolarHBondContact O-N 3.05Å; R293-L295 PolarHBondContact O-N 2.76Å |
| 294 | G | 49.6 | Very low | 55.6 | Low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.6 | 7.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | K291 | K291-G294 PolarHBondContact O-N 3.02Š|
| 295 | L | 51.8 | Low | 54 | Low | 116 Ų | 116 | 121.8 Ų | 121.8 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | | | trans | -91.7 | 99.5 | 171.5 | -64.7 | 178.8 | 0 | 0 | 0 | 108.6 | R293 P297 | R293-L295 PolarHBondContact O-N 2.76Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å |
| 296 | D | 48.3 | Very low | 52 | Low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | | | trans | -68.2 | 116.7 | 168.5 | -144.4 | -1.3 | 0 | 0 | 0 | 107.6 | N298 | D296-N298 PolarHBondContact O-N 3.47Š|
| 297 | P | 45.2 | Very low | 50.1 | Low | 76 Ų | 76 | 123.7 Ų | 123.7 | 49% | 0.494 | 65% | 0.65 | S | S | . | * | | | trans | -71.5 | 100.3 | -176.5 | 28.4 | -32.8 | 0 | 0 | 0 | 108.7 | L295 T299 | L295-P297 WeakPolarHBondContact O-CD 3.36Å; P297-T299 PolarHBondContact O-N 3.4Å; P297-T299 PolarHBondContact O-OG1 3.46Å; P297-T299 VanDerWaalsContact O-OG1 3.12Å |
| 298 | N | 44.3 | Very low | 48 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | | | trans | -73 | 54.7 | 168.8 | -162.4 | 1.6 | 0 | 0 | 0 | 110.6 | D296 S300 | D296-N298 PolarHBondContact O-N 3.47Å; N298-S300 PolarHBondContact O-N 3.01Å |
| 299 | T | 38.7 | Very low | 46.4 | Very low | 90 Ų | 90 | 134 Ų | 134 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | | | trans | -68.9 | 96.1 | 169.5 | 15.7 | 0 | 0 | 0 | 0 | 108.4 | P297 F301 | P297-T299 PolarHBondContact O-N 3.4Å; P297-T299 PolarHBondContact O-OG1 3.46Å; P297-T299 VanDerWaalsContact O-OG1 3.12Å; T299-F301 HydrophobicContact CG2-CD2 3.74Å; T299-F301 HydrophobicContact CG2-CE2 3.98Å; T299-F301 PolarHBondContact O-N 3.41Å |
| 300 | S | 33.5 | Very low | 44.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | | | trans | -67.5 | 46.2 | 166.4 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | N298 R302 | N298-S300 PolarHBondContact O-N 3.01Å; S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.06Å |
| 301 | F | 30.9 | Very low | 43.5 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | -73.8 | 92.4 | 163.7 | -85.9 | -72.7 | 0 | 0 | 0 | 109 | T299 R303 | T299-F301 HydrophobicContact CG2-CD2 3.74Å; T299-F301 HydrophobicContact CG2-CE2 3.98Å; T299-F301 PolarHBondContact O-N 3.41Å; F301-R303 PolarHBondContact O-N 3.02Å |
| 302 | R | 36.6 | Very low | 42.2 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | trans | -57.7 | 95.2 | 168.6 | -170 | -179.7 | -162 | -115.1 | 6.8 | 109.2 | S300 M304 | S300-R302 VanDerWaalsContact C-N 3.34Å; S300-R302 PolarHBondContact O-N 3.06Å; R302-M304 PolarHBondContact O-N 3.31Å |
| 303 | R | 35 | Very low | 41 | Very low | 223 Ų | 223 | 155.4 Ų | 155.4 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | | | trans | -53.3 | 101.5 | 172.8 | -100 | -171.5 | -84.5 | -171.1 | -7.2 | 109.4 | F301 S305 | F301-R303 PolarHBondContact O-N 3.02Å; R303-S305 PolarHBondContact O-N 3.03Å; R303-S305 VanDerWaalsContact O-N 3.16Å |
| 304 | M | 35.7 | Very low | 39.4 | Very low | 157 Ų | 157 | 157.8 Ų | 157.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -89.2 | 32.8 | -174.3 | -131.9 | -178.9 | -56.4 | 0 | 0 | 112.1 | R302 | R302-M304 PolarHBondContact O-N 3.31Š|
| 305 | S | 48.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 165.4 Ų | 165.4 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -105.4 | -16 | -156.6 | -52.4 | 0 | 0 | 0 | 0 | 115.5 | R303 | R303-S305 PolarHBondContact O-N 3.03Å; R303-S305 VanDerWaalsContact O-N 3.16Å |
| 306 | E | 38.1 | Very low | 38.1 | Very low | 165 Ų | 165 | 171.6 Ų | 171.6 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -125.3 | -9.1 | -166.8 | -74.4 | 169 | 156.6 | 0 | 0 | 115.6 | Y308 | E306-Y308 PolarHBondContact O-N 2.87Š|
| 307 | S | 35.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 173.2 Ų | 173.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -16.4 | -173.3 | -169 | 0 | 0 | 0 | 0 | 115.6 | | |
| 308 | Y | 36.1 | Very low | 36.7 | Very low | 201 Ų | 201 | 180.6 Ų | 180.6 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 3.9 | -170.2 | -132 | -90.6 | 0 | 0 | 0 | 116.1 | E306 Y310 | E306-Y308 PolarHBondContact O-N 2.87Å; Y308-Y310 PolarHBondContact O-N 3.44Å |
| 309 | R | 40.7 | Very low | 36.2 | Very low | 214 Ų | 214 | 179.2 Ų | 179.2 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -79.5 | -11.3 | -175.9 | -71.7 | -80.7 | -176.3 | 160.8 | -0.3 | 115.2 | | |
| 310 | Y | 37.8 | Very low | 35.7 | Very low | 213 Ų | 213 | 181.7 Ų | 181.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -110.5 | 0.1 | -165.9 | -97.7 | -79.6 | 0 | 0 | 0 | 117.5 | Y308 | Y308-Y310 PolarHBondContact O-N 3.44Š|
| 311 | R | 40.5 | Very low | 35.6 | Very low | 216 Ų | 216 | 181 Ų | 181 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -100.1 | -23.8 | -175.5 | -163.9 | 168 | -73 | -144.8 | 1.1 | 115.2 | | |
| 312 | D | 34.1 | Very low | 35.5 | Very low | 148 Ų | 148 | 181.2 Ų | 181.2 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -88 | -10.3 | -165.7 | -118.1 | 21 | 0 | 0 | 0 | 115.8 | R314 | D312-R314 VanDerWaalsContact C-N 3.32Å; D312-R314 PolarHBondContact O-N 3.27Å |
| 313 | Q | 34.4 | Very low | 35.4 | Very low | 175 Ų | 175 | 179.7 Ų | 179.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | G | 310 helix | trans | -87.5 | 14.6 | -173.5 | -75.8 | 171.6 | -20.4 | 0 | 0 | 115 | | |
| 314 | R | 33.7 | Very low | 35.2 | Very low | 238 Ų | 238 | 180.8 Ų | 180.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | G | 310 helix | trans | -123.5 | 16.2 | -176.8 | -123.6 | -158.7 | -72.8 | -170.7 | -0.8 | 117.1 | D312 | D312-R314 VanDerWaalsContact C-N 3.32Å; D312-R314 PolarHBondContact O-N 3.27Å |
| 315 | Y | 34.4 | Very low | 34.8 | Very low | 228 Ų | 228 | 181 Ų | 181 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -138 | 35.4 | 176.1 | -151 | -100.3 | 0 | 0 | 0 | 116 | | |
| 316 | R | 38.3 | Very low | 34.1 | Very low | 246 Ų | 246 | 187.3 Ų | 187.3 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | trans | -142.4 | 97 | 164.8 | -172.6 | -176.5 | -75 | -148.3 | -0.4 | 110.6 | | |
| 317 | E | 32.8 | Very low | 33.8 | Very low | 185 Ų | 185 | 185.7 Ų | 185.7 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | | | trans | 162.6 | 93.3 | 140.1 | -174.9 | 162.3 | -127.1 | 0 | 0 | 111.6 | | |
| 318 | R | 31.8 | Very low | 33.5 | Very low | 231 Ų | 231 | 185.1 Ų | 185.1 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | | | trans | -164.7 | 113.4 | 142.2 | -150.7 | 164.1 | -64.3 | -108.7 | -7 | 109.8 | | |
| 319 | V | 34.1 | Very low | 33 | Very low | 125 Ų | 125 | 183.6 Ų | 183.6 | 76% | 0.758 | 82% | 0.823 | S | S | * | * | | | trans | -127.3 | 157.1 | 169.2 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 320 | D | 28.3 | Very low | 32.2 | Very low | 142 Ų | 142 | 179 Ų | 179 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | trans | 72.8 | 139.7 | -176.2 | -56.4 | -36.3 | 0 | 0 | 0 | 115.8 | | |
| 321 | S | 30.8 | Very low | 31.8 | Very low | 101 Ų | 101 | 178.2 Ų | 178.2 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | cis | -144 | 163.7 | 19.2 | -47.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 322 | E | 28.9 | Very low | 31.1 | Very low | 184 Ų | 184 | 175.8 Ų | 175.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 66.7 | 98.1 | 143.2 | -73.7 | 174.4 | 157.1 | 0 | 0 | 123.2 | | |
| 323 | H | 34.6 | Very low | 30.7 | Very low | 169 Ų | 169 | 172.7 Ų | 172.7 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | | 37.1 | 109.5 | 112.3 | -130.5 | 96.6 | 0 | 0 | 0 | 120.6 | | |
| 324 | R | 30 | Very low | 30.4 | Very low | 247 Ų | 247 | 172.5 Ų | 172.5 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -159.2 | 150.7 | 134.2 | -117.9 | -176.1 | -170.7 | -141.8 | 2.6 | 113.6 | | |
| 325 | Q | 28.7 | Very low | 29.9 | Very low | 162 Ų | 162 | 169.2 Ų | 169.2 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | -90.5 | 159.8 | 177.9 | -58.7 | -166.1 | 9.8 | 0 | 0 | 112.9 | | |
| 326 | R | 32.2 | Very low | 29.6 | Very low | 223 Ų | 223 | 162.5 Ų | 162.5 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | 19.1 | 143.4 | 141.3 | -92.3 | -172.2 | -176.2 | -162.3 | 2.9 | 119.6 | | |
| 327 | P | 32.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 157 Ų | 157 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | | -137.3 | -178.1 | 65.6 | 37.7 | -21 | 0 | 0 | 0 | 116.3 | | |
| 328 | C | 29.1 | Very low | 29.8 | Very low | 109 Ų | 109 | 156.8 Ų | 156.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | -132 | 130.1 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 329 | E | 26.2 | Very low | 29.6 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -169.9 | 125.5 | 159.2 | -105 | 160.3 | -151.6 | 0 | 0 | 105.7 | | |
| 330 | E | 23.4 | Very low | 29.2 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 55% | 0.551 | 77% | 0.77 | S | S | * | * | | | | 90.7 | 115.8 | 64.1 | -164 | -154.1 | -139.8 | 0 | 0 | 111.7 | | |
| 331 | R | 28.5 | Very low | 29.3 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | | 164.9 | 111.1 | 129.2 | -87.9 | 160 | -160.7 | -170.2 | 6.8 | 110.4 | | |
| 332 | F | 27 | Very low | 29.2 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | | 73.9 | 140.5 | 97.1 | -94.4 | -108.3 | 0 | 0 | 0 | 112.6 | | |
| 333 | S | 26.1 | Very low | 29.2 | Very low | 82 Ų | 82 | 154.3 Ų | 154.3 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | | | cis | 167 | 169.7 | -14.6 | -89.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 334 | F | 27.3 | Very low | 28.9 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | 69.1 | 149.3 | 165.7 | -66.8 | -74.4 | 0 | 0 | 0 | 116.9 | | |
| 335 | E | 22.8 | Very low | 28.9 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | cis | -151.9 | 174.1 | -5.6 | -150 | 147.9 | -169.2 | 0 | 0 | 110.9 | | |
| 336 | A | 28.9 | Very low | 28.8 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | | | trans | -86.3 | -178.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 337 | P | 41.9 | Very low | 28.7 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | | | | -147.3 | -173.3 | 51.2 | 39.8 | -16.5 | 0 | 0 | 0 | 117.4 | | |
| 338 | Q | 32.9 | Very low | 29.2 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -77.9 | 163 | -178.9 | -53.5 | 162.1 | -22.3 | 0 | 0 | 113.9 | | |
| 339 | T | 26.5 | Very low | 29.2 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | | | trans | -169.4 | 151 | 134.9 | 5.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 340 | Y | 26.7 | Very low | 29.4 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | trans | 69.2 | 124 | 158.4 | -95.5 | -123.3 | 0 | 0 | 0 | 119.1 | | |
| 341 | Q | 30.3 | Very low | 29.6 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | | 70.6 | 142.8 | 68.2 | -71.6 | -81.6 | -0.7 | 0 | 0 | 112 | | |
| 342 | Q | 27.9 | Very low | 29.7 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | cis | -156 | 173.4 | 7.9 | -168.4 | 158.9 | -4.1 | 0 | 0 | 111 | | |
| 343 | E | 29.8 | Very low | 29.6 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 58% | 0.579 | 76% | 0.761 | S | S | * | * | | | trans | -34.2 | 152.6 | 164 | -51.8 | 152.2 | 140.5 | 0 | 0 | 116.9 | | |
| 344 | Y | 28.2 | Very low | 30.3 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | | 172.6 | 148.4 | 102.8 | -99.9 | -77.8 | 0 | 0 | 0 | 112.7 | | |
| 345 | S | 30.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -90.9 | 139.9 | 179.1 | -51 | 0 | 0 | 0 | 0 | 112.7 | | |
| 346 | A | 25.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -171.4 | 126.7 | 143.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 347 | S | 30.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -89 | 163.3 | 149 | -153.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 348 | P | 43.6 | Very low | 30.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -153.9 | -165.3 | 39.2 | 43.9 | -20.9 | 0 | 0 | 0 | 117.6 | | |
| 349 | V | 28.5 | Very low | 30 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | 75.5 | 138.8 | 159.1 | 164.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 350 | E | 29.5 | Very low | 30.4 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | cis | -172.6 | 148.5 | -20.6 | -171.9 | 158.8 | -162.9 | 0 | 0 | 108.3 | | |
| 351 | G | 29 | Very low | 30.9 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | 120.8 | 101.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 352 | Q | 30.7 | Very low | 31.4 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | 57.7 | 124.1 | 142.5 | -47.7 | -178.3 | 40.4 | 0 | 0 | 118.3 | | |
| 353 | S | 24.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | -168.2 | 178.5 | 51.1 | 66 | 0 | 0 | 0 | 0 | 111.6 | | |
| 354 | P | 41 | Very low | 32 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | trans | -105.3 | 158.6 | -151.8 | 40.5 | -37.5 | 0 | 0 | 0 | 117.4 | | |
| 355 | H | 26.8 | Very low | 32.5 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | | -177.3 | 170 | 101.9 | 73.9 | -62.9 | 0 | 0 | 0 | 111.6 | | |
| 356 | W | 29.1 | Very low | 33.1 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 142.9 | -157.3 | -74.8 | 79 | 0 | 0 | 0 | 115.9 | | |
| 357 | L | 28.7 | Very low | 34.4 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -78 | 136.6 | 161.9 | -68.4 | 170 | 0 | 0 | 0 | 110.6 | S359 | L357-S359 PolarHBondContact O-N 2.89Š|
| 358 | P | 34.4 | Very low | 35.1 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.3 | 169.5 | -21 | 34.3 | 0 | 0 | 0 | 112.6 | | |
| 359 | S | 27.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.5 | 170.1 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | L357 S361 | L357-S359 PolarHBondContact O-N 2.89Å; S359-S361 PolarHBondContact O-N 3.33Å |
| 360 | H | 34.3 | Very low | 36.8 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | trans | -39.5 | 116.5 | 165 | 46.3 | -85.5 | 0 | 0 | 0 | 113 | | |
| 361 | S | 37.8 | Very low | 38.2 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | -98.1 | 123 | 169.8 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | S359 R363 | S359-S361 PolarHBondContact O-N 3.33Å; S361-R363 PolarHBondContact O-N 3.48Å |
| 362 | K | 40.6 | Very low | 39.7 | Very low | 198 Ų | 198 | 147.2 Ų | 147.2 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | -81.2 | 101.8 | 167.7 | -69.6 | 176.1 | 177.8 | 176 | 0 | 108 | | |
| 363 | R | 34.3 | Very low | 41.3 | Very low | 217 Ų | 217 | 142 Ų | 142 | 82% | 0.819 | 71% | 0.706 | S | S | * | * | | | trans | -85.4 | 146.8 | 161.6 | -127.7 | 180 | -175.5 | -173.1 | -1.8 | 109.2 | S361 | S361-R363 PolarHBondContact O-N 3.48Š|
| 364 | R | 37 | Very low | 43.1 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | trans | -87.9 | 152.7 | -169.3 | -55.7 | 176.1 | -156.4 | 175.1 | 7.1 | 110.7 | D366 | R364-D366 WeakPolarHBondContact CB-OD2 3.47Å; R364-D366 WeakPolarHBondContact CD-OD2 3.45Å; R364-D366 PolarHBondContact O-N 3.19Å |
| 365 | N | 38.3 | Very low | 43.9 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 38.6 | 177.2 | -71.3 | -41.7 | 0 | 0 | 0 | 112.7 | | |
| 366 | D | 43.2 | Very low | 45.5 | Very low | 96 Ų | 96 | 137.8 Ų | 137.8 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.8 | -21.5 | -176.6 | -56 | -43.2 | 0 | 0 | 0 | 111.9 | R364 | R364-D366 WeakPolarHBondContact CB-OD2 3.47Å; R364-D366 WeakPolarHBondContact CD-OD2 3.45Å; R364-D366 PolarHBondContact O-N 3.19Å |
| 367 | D | 53.1 | Low | 47 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.6 | -36 | -175.5 | -65.8 | -29.6 | 0 | 0 | 0 | 112.9 | Q369 N370 | D367-Q369 VanDerWaalsContact C-N 3.31Å; D367-Q369 PolarHBondContact O-N 2.96Å; D367-N370 PolarHBondContact O-N 3.23Å |
| 368 | F | 44.5 | Very low | 48.2 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.1 | -23.3 | -178.3 | -72.9 | -73.3 | 0 | 0 | 0 | 114.4 | F372 | F368-F372 PolarHBondContact O-N 2.94Å |
| 369 | Q | 53.2 | Low | 49 | Very low | 119 Ų | 119 | 129 Ų | 129 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.4 | -42.1 | 178 | -127.3 | 65.7 | 55.1 | 0 | 0 | 110.9 | D367 E371 F372 D373 | D367-Q369 VanDerWaalsContact C-N 3.31Å; D367-Q369 PolarHBondContact O-N 2.96Å; Q369-E371 PolarHBondContact O-N 3.39Å; Q369-F372 PolarHBondContact O-N 3.31Å; Q369-D373 PolarHBondContact O-N 3.32Å |
| 370 | N | 54.9 | Low | 49.9 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 56% | 0.556 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | -179.1 | -65.4 | -35.1 | 0 | 0 | 0 | 112.4 | D367 D373 D374 | D367-N370 PolarHBondContact O-N 3.23Å; N370-D373 PolarHBondContact O-N 2.98Å; N370-D374 PolarHBondContact O-N 3.45Å; N370-D374 VanDerWaalsContact O-N 3.11Å |
| 371 | E | 60.1 | Low | 50.2 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 66% | 0.659 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.8 | -36 | 178.1 | -171.3 | 170.9 | -164.9 | 0 | 0 | 112.1 | Q369 Y375 | Q369-E371 PolarHBondContact O-N 3.39Å; E371-Y375 PolarHBondContact O-N 3.38Å |
| 372 | F | 59.2 | Low | 50.7 | Low | 126 Ų | 126 | 132 Ų | 132 | 55% | 0.553 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.2 | -40.5 | 175.4 | -173.1 | -103.3 | 0 | 0 | 0 | 112.4 | F368 Q369 Y375 N376 | F368-F372 PolarHBondContact O-N 2.94Å; Q369-F372 PolarHBondContact O-N 3.31Å; F372-Y375 PolarHBondContact O-N 3.28Å; F372-N376 VanDerWaalsContact CD1-ND2 3.33Å; F372-N376 WeakPolarHBondContact CD1-ND2 3.41Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.4Å; F372-N376 PolarHBondContact O-N 3.39Å; F372-N376 VanDerWaalsContact O-N 3.1Å; F372-N376 PolarHBondContact O-ND2 3.11Å; F372-N376 VanDerWaalsContact O-ND2 3.08Å |
| 373 | D | 64.2 | Low | 50.8 | Low | 87 Ų | 87 | 131.2 Ų | 131.2 | 47% | 0.465 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.8 | -35.9 | 179.8 | -72.2 | -21 | 0 | 0 | 0 | 112.6 | Q369 N370 N376 K377 | Q369-D373 PolarHBondContact O-N 3.32Å; N370-D373 PolarHBondContact O-N 2.98Å; D373-N376 PolarHBondContact O-N 3.14Å; D373-K377 PolarHBondContact O-N 3.24Å; D373-K377 VanDerWaalsContact O-N 3.11Å |
| 374 | D | 63.9 | Low | 50.8 | Low | 101 Ų | 101 | 126.3 Ų | 126.3 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68 | -35 | 171.9 | -89.8 | -9.8 | 0 | 0 | 0 | 112.1 | N370 K377 V378 | N370-D374 PolarHBondContact O-N 3.45Å; N370-D374 VanDerWaalsContact O-N 3.11Å; D374-K377 PolarHBondContact O-N 3.25Å; D374-V378 WeakPolarHBondContact O-CG2 3.33Å; D374-V378 PolarHBondContact O-N 3.23Å |
| 375 | Y | 57.8 | Low | 50.8 | Low | 162 Ų | 162 | 123.6 Ų | 123.6 | 64% | 0.635 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.2 | -38.4 | 175.3 | -149.7 | -84 | 0 | 0 | 0 | 112.4 | E371 F372 V378 Q379 | E371-Y375 PolarHBondContact O-N 3.38Å; F372-Y375 PolarHBondContact O-N 3.28Å; Y375-V378 PolarHBondContact O-N 3.15Å; Y375-Q379 PolarHBondContact O-N 3.11Å |
| 376 | N | 59.9 | Low | 50.6 | Low | 57 Ų | 57 | 123.3 Ų | 123.3 | 31% | 0.305 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.2 | -42.3 | 174.9 | -71.3 | -46 | 0 | 0 | 0 | 111.9 | F372 D373 V378 Q379 E380 | F372-N376 VanDerWaalsContact CD1-ND2 3.33Å; F372-N376 WeakPolarHBondContact CD1-ND2 3.41Å; F372-N376 WeakPolarHBondContact CE1-ND2 3.4Å; F372-N376 PolarHBondContact O-N 3.39Å; F372-N376 VanDerWaalsContact O-N 3.1Å; F372-N376 PolarHBondContact O-ND2 3.11Å; F372-N376 VanDerWaalsContact O-ND2 3.08Å; D373-N376 PolarHBondContact O-N 3.14Å; N376-V378 PolarHBondContact O-N 3.23Å; N376-Q379 PolarHBondContact O-N 3.16Å; N376-E380 PolarHBondContact O-N 2.86Å |
| 377 | K | 59.5 | Low | 50.3 | Low | 135 Ų | 135 | 126.6 Ų | 126.6 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.2 | -35.2 | 172.6 | -91.6 | 173.9 | 178.2 | 163.4 | 0 | 113.6 | D373 D374 Q379 S381 | D373-K377 PolarHBondContact O-N 3.24Å; D373-K377 VanDerWaalsContact O-N 3.11Å; D374-K377 PolarHBondContact O-N 3.25Å; K377-Q379 VanDerWaalsContact C-N 3.33Å; K377-S381 WeakPolarHBondContact O-CB 3.42Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 VanDerWaalsContact O-N 3.16Å; K377-S381 PolarHBondContact O-OG 2.87Å |
| 378 | V | 55.5 | Low | 49.4 | Very low | 81 Ų | 81 | 129 Ų | 129 | 49% | 0.491 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -75 | -22.3 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | D374 Y375 N376 S381 | D374-V378 WeakPolarHBondContact O-CG2 3.33Å; D374-V378 PolarHBondContact O-N 3.23Å; Y375-V378 PolarHBondContact O-N 3.15Å; N376-V378 PolarHBondContact O-N 3.23Å; V378-S381 PolarHBondContact O-OG 3.31Å |
| 379 | Q | 50.2 | Low | 48.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -84.1 | -44.3 | 169.4 | -68.5 | -152.8 | -6.1 | 0 | 0 | 112.9 | Y375 N376 K377 S381 R382 E383 | Y375-Q379 PolarHBondContact O-N 3.11Å; N376-Q379 PolarHBondContact O-N 3.16Å; K377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-S381 PolarHBondContact O-N 3.01Å; Q379-R382 PolarHBondContact O-N 3.07Å; Q379-E383 PolarHBondContact O-N 3.04Å |
| 380 | E | 45.4 | Very low | 47.4 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.3 | -29.4 | 178.2 | -70.6 | -178.1 | 161.3 | 0 | 0 | 112.5 | N376 R382 | N376-E380 PolarHBondContact O-N 2.86Å; E380-R382 PolarHBondContact O-N 3.2Å |
| 381 | S | 42 | Very low | 46.3 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 0.6 | 173.1 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | K377 V378 Q379 | K377-S381 WeakPolarHBondContact O-CB 3.42Å; K377-S381 PolarHBondContact O-N 3.23Å; K377-S381 VanDerWaalsContact O-N 3.16Å; K377-S381 PolarHBondContact O-OG 2.87Å; V378-S381 PolarHBondContact O-OG 3.31Å; Q379-S381 PolarHBondContact O-N 3.01Å |
| 382 | R | 47.5 | Very low | 44.8 | Very low | 206 Ų | 206 | 143 Ų | 143 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -9.7 | 177.3 | -69.9 | -177.9 | 174.6 | -165.7 | -0.9 | 114.4 | Q379 E380 S384 | Q379-R382 PolarHBondContact O-N 3.07Å; E380-R382 PolarHBondContact O-N 3.2Å; R382-S384 PolarHBondContact O-N 3.19Å |
| 383 | E | 42.2 | Very low | 43.3 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | | | trans | -91.2 | 92.9 | 169.1 | -69.3 | -163.8 | 153.4 | 0 | 0 | 110.8 | Q379 | Q379-E383 PolarHBondContact O-N 3.04Š|
| 384 | S | 35.1 | Very low | 41.6 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -98.8 | 140.5 | 165.4 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | R382 | R382-S384 PolarHBondContact O-N 3.19Š|
| 385 | E | 37.8 | Very low | 40 | Very low | 140 Ų | 140 | 149 Ų | 149 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | | | trans | -58.1 | 143.6 | -166 | -56.6 | 173.5 | 146.5 | 0 | 0 | 114.7 | K387 | E385-K387 PolarHBondContact O-N 3.27Å; E385-K387 IonicContact OE2-NZ 2.57Å; E385-K387 PolarHBondContact OE2-NZ 3.41Å |
| 386 | P | 33.8 | Very low | 38.7 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | -75.6 | 86.3 | 169.9 | 32.5 | -33.9 | 0 | 0 | 0 | 110.7 | T388 | P386-T388 PolarHBondContact O-N 3.12Š|
| 387 | K | 35.5 | Very low | 37.4 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | -79.5 | 104.6 | 170.9 | -78.5 | -171.4 | 170 | 76 | 0 | 111.1 | E385 S389 | E385-K387 PolarHBondContact O-N 3.27Å; E385-K387 IonicContact OE2-NZ 2.57Å; E385-K387 PolarHBondContact OE2-NZ 3.41Å; K387-S389 PolarHBondContact O-N 3.36Å |
| 388 | T | 35.2 | Very low | 36 | Very low | 145 Ų | 145 | 154.8 Ų | 154.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -65.7 | 111.4 | 167.3 | 39.6 | 0 | 0 | 0 | 0 | 110.8 | P386 | P386-T388 PolarHBondContact O-N 3.12Š|
| 389 | S | 29.7 | Very low | 34.9 | Very low | 110 Ų | 110 | 156.1 Ų | 156.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -143.8 | 118.1 | 158.5 | 63.6 | 0 | 0 | 0 | 0 | 111 | K387 | K387-S389 PolarHBondContact O-N 3.36Š|
| 390 | F | 26.1 | Very low | 33.9 | Very low | 214 Ų | 214 | 158.3 Ų | 158.3 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -72.8 | 125 | 164.9 | -89.5 | -100.6 | 0 | 0 | 0 | 108.8 | | |
| 391 | R | 32.5 | Very low | 33 | Very low | 251 Ų | 251 | 159.1 Ų | 159.1 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | | | trans | -154 | 156.4 | 137.1 | -110.8 | 168.6 | -159.2 | -96.5 | 1.1 | 110.7 | | |
| 392 | R | 27.4 | Very low | 32.2 | Very low | 235 Ų | 235 | 163.7 Ų | 163.7 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -84.6 | 169.4 | -166.8 | -66.2 | 177.1 | 176.8 | 170.9 | -2.4 | 111.6 | | |
| 393 | M | 28.7 | Very low | 31.5 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -41.2 | 136 | 170.1 | -68 | 73.2 | 177.2 | 0 | 0 | 113.1 | | |
| 394 | D | 27.6 | Very low | 31.1 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | | | | -128.8 | 133.6 | 129 | -84.5 | -50.7 | 0 | 0 | 0 | 107.9 | | |
| 395 | S | 29.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 162 Ų | 162 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -101 | 115.2 | -173.7 | 55 | 0 | 0 | 0 | 0 | 111 | F397 | S395-F397 WeakPolarHBondContact O-CE1 3.49Š|
| 396 | S | 31.2 | Very low | 30.8 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -124 | 99 | 165.4 | 59.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 397 | F | 32.7 | Very low | 30.6 | Very low | 177 Ų | 177 | 161 Ų | 161 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -44.9 | 128.3 | 161.3 | 24.9 | -90.6 | 0 | 0 | 0 | 112.1 | S395 | S395-F397 WeakPolarHBondContact O-CE1 3.49Š|
| 398 | E | 29.3 | Very low | 30.4 | Very low | 190 Ų | 190 | 164 Ų | 164 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -136.5 | 99.1 | 165.6 | -169.7 | 147.4 | -156.6 | 0 | 0 | 109.6 | | |
| 399 | T | 32.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 168.3 Ų | 168.3 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | | | trans | -116.2 | 153.7 | 170.3 | 43.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 400 | H | 29.1 | Very low | 30.2 | Very low | 167 Ų | 167 | 168.3 Ų | 168.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 47.9 | 116.7 | 153.5 | 73.3 | -17.7 | 0 | 0 | 0 | 120.4 | | |
| 401 | N | 26.5 | Very low | 30.4 | Very low | 164 Ų | 164 | 163 Ų | 163 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -130.7 | 112 | 148.7 | -86.1 | -56.5 | 0 | 0 | 0 | 108.2 | | |
| 402 | Y | 26.8 | Very low | 30.2 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -150.2 | 117.1 | 167.3 | -163.3 | -94 | 0 | 0 | 0 | 110.9 | | |
| 403 | E | 32.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | | | trans | 55 | 101.4 | 151.8 | -147.8 | 149.2 | -114.1 | 0 | 0 | 120.7 | | |
| 404 | E | 33.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | | 46.6 | 120.9 | 126.7 | -165.7 | 172.5 | -173.2 | 0 | 0 | 121.6 | | |
| 405 | M | 35.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 80% | 0.803 | 76% | 0.76 | S | S | * | * | | | | -178.8 | 123.1 | 118.4 | -98.7 | -179.2 | 61.3 | 0 | 0 | 115 | | |
| 406 | V | 30.6 | Very low | 30.8 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | 54.1 | 104.4 | 137.7 | -168.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 407 | D | 30.8 | Very low | 30.6 | Very low | 127 Ų | 127 | 156.9 Ų | 156.9 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | trans | 42.4 | 108.1 | 134.1 | -167.3 | 30.5 | 0 | 0 | 0 | 121.5 | | |
| 408 | R | 30.5 | Very low | 30.4 | Very low | 229 Ų | 229 | 151.8 Ų | 151.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | | -171.7 | 103.5 | 115.4 | -102.7 | 173.4 | -176.6 | -164.6 | 2.4 | 115.3 | | |
| 409 | R | 30.4 | Very low | 30.5 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | | | | 38.4 | 138.1 | 128.7 | -143.9 | 175.2 | -164.5 | 173.2 | 4.9 | 122.1 | | |
| 410 | S | 29.4 | Very low | 31.3 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | 79 | 136.6 | 154.3 | 150.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 411 | S | 32.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 148.6 Ų | 148.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | cis | -162.6 | 129.9 | -7.2 | -72.7 | 0 | 0 | 0 | 0 | 107 | | |
| 412 | H | 27 | Very low | 31.5 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | | 71.1 | 92.3 | 84 | -156.7 | -61.9 | 0 | 0 | 0 | 117.1 | | |
| 413 | T | 33.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | | | trans | -174.1 | 109.9 | 146.9 | 42 | 0 | 0 | 0 | 0 | 106.9 | | |
| 414 | M | 32.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 67% | 0.665 | 76% | 0.764 | S | S | * | * | | | | 73.3 | 145.5 | 50.1 | -69.1 | -79 | -71.2 | 0 | 0 | 115.3 | | |
| 415 | F | 29.7 | Very low | 31.4 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | 84.6 | 127.8 | 173.7 | -67.6 | -95.6 | 0 | 0 | 0 | 117.1 | | |
| 416 | E | 30.1 | Very low | 31 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | cis | -159.1 | 177 | -10 | -145.8 | 170.5 | -155.8 | 0 | 0 | 112.6 | | |
| 417 | E | 27.5 | Very low | 30.6 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | -29.7 | 163.6 | 169.5 | -65.2 | 169.8 | 138.5 | 0 | 0 | 118.7 | | |
| 418 | G | 29.3 | Very low | 30.4 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | cis | -172.9 | -173.3 | 11.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 419 | L | 31.5 | Very low | 30.4 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -90.4 | -161.6 | -167.4 | -57.6 | 165.1 | 0 | 0 | 0 | 112.9 | | |
| 420 | P | 47.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | | -133.4 | -174.4 | -105.4 | 42 | -21.7 | 0 | 0 | 0 | 115.3 | | |
| 421 | C | 34.6 | Very low | 31.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | trans | 42.8 | 127.9 | 152.7 | -63.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 422 | E | 26.1 | Very low | 31.6 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | | | trans | -143 | 171.5 | 150.1 | -135.8 | 171.7 | -163.7 | 0 | 0 | 113.3 | | |
| 423 | T | 29.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | | | trans | -133.3 | 173.9 | -149.2 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 424 | F | 31.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 75% | 0.746 | 77% | 0.765 | S | S | * | * | | | trans | 80.8 | 158.7 | 164.4 | -48.6 | -63.9 | 0 | 0 | 0 | 116.1 | | |
| 425 | Q | 29.5 | Very low | 31.6 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | cis | -157.3 | -177.6 | -4.8 | -127.5 | 162.1 | 58.6 | 0 | 0 | 112.5 | | |
| 426 | T | 26.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | | | trans | -91.4 | 161.7 | -173.1 | 34.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 427 | Y | 23.4 | Very low | 31.4 | Very low | 219 Ų | 219 | 139.7 Ų | 139.7 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | 79.9 | 134.7 | 147.5 | -108.6 | -99.6 | 0 | 0 | 0 | 121.6 | | |
| 428 | T | 26.3 | Very low | 31.4 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | | 170.3 | 147.3 | 121.2 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 429 | D | 30.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -153.2 | -179.9 | -174.9 | -153 | 35 | 0 | 0 | 0 | 108.2 | | |
| 430 | P | 59.9 | Low | 31.1 | Very low | 102 Ų | 102 | 142 Ų | 142 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | | | cis | -137.3 | -179.8 | -0.2 | 45.6 | -29.1 | 0 | 0 | 0 | 116.8 | | |
| 431 | Y | 23.9 | Very low | 30.4 | Very low | 224 Ų | 224 | 144.1 Ų | 144.1 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | | | trans | -152.4 | 156.2 | 145.3 | -148.9 | -100.6 | 0 | 0 | 0 | 115.1 | | |
| 432 | S | 32.9 | Very low | 30.7 | Very low | 90 Ų | 90 | 143.7 Ų | 143.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | -80.3 | 152.5 | -161 | -49.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 433 | S | 29.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | | 175.1 | 164.7 | 106.9 | 41.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 434 | A | 30.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -136.4 | 153.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 435 | Q | 32.3 | Very low | 30.6 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -169.1 | 119.8 | 148.6 | -99.8 | 161.6 | 37.5 | 0 | 0 | 106.2 | | |
| 436 | A | 27.9 | Very low | 30.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | | 63.5 | 129.5 | 77.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 437 | V | 27.3 | Very low | 30.8 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | | | cis | -159.1 | 154.8 | 4.2 | 105.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 438 | E | 27.3 | Very low | 31.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | 58.9 | 141.2 | 159.8 | -70.3 | 173.9 | 146.7 | 0 | 0 | 124.5 | | |
| 439 | N | 27.8 | Very low | 31.6 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -82.7 | 153.3 | 175.3 | -46.3 | -81.4 | 0 | 0 | 0 | 111.3 | | |
| 440 | T | 28.3 | Very low | 31.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | | -177.3 | 147.7 | 119.9 | 22.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 441 | L | 32.4 | Very low | 30.3 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | trans | -60 | 163.5 | 161 | -78.7 | 163.8 | 0 | 0 | 0 | 110.4 | | |
| 442 | P | 41.4 | Very low | 31.6 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | cis | -160 | 175.5 | 48.4 | 44.9 | -22.3 | 0 | 0 | 0 | 120.8 | | |
| 443 | H | 26.8 | Very low | 31.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | | | trans | 13.3 | 134.5 | 141.4 | -70.1 | -79.7 | 0 | 0 | 0 | 124.1 | | |
| 444 | C | 28.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 138 Ų | 138 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | | | | 97.9 | 120.3 | 124.3 | -80.3 | 0 | 0 | 0 | 0 | 123.1 | | |
| 445 | L | 29.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | 68.2 | 139.2 | 147.3 | -56.7 | 179.2 | 0 | 0 | 0 | 120.2 | | |
| 446 | P | 35.7 | Very low | 31.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | trans | -82.1 | 143 | 167 | 34.2 | -32.3 | 0 | 0 | 0 | 111.6 | | |
| 447 | A | 24.7 | Very low | 31.4 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | -84.5 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 448 | Y | 28.9 | Very low | 31.4 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | | | trans | -137.7 | 137.9 | 141.4 | -164.8 | -99.1 | 0 | 0 | 0 | 110.2 | | |
| 449 | E | 36.6 | Very low | 31.3 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -91 | 152 | -171.8 | -59.3 | 168.7 | 127.4 | 0 | 0 | 110.8 | | |
| 450 | N | 27.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | | -174.9 | 151.2 | 78.2 | -97.8 | -75 | 0 | 0 | 0 | 114.5 | | |
| 451 | Q | 36.9 | Very low | 31.7 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -51.2 | -171.9 | 169.7 | -70 | -175.5 | -18.1 | 0 | 0 | 117.6 | | |
| 452 | P | 49.6 | Very low | 31.5 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | | -139.6 | -171.7 | -51.9 | 40.6 | -23.9 | 0 | 0 | 0 | 112.6 | | |
| 453 | S | 26.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 154.3 | 107 | 133.7 | -178 | 0 | 0 | 0 | 0 | 116.7 | | |
| 454 | L | 33.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 140 Ų | 140 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | 52.4 | 134.1 | 133.8 | -61.5 | 176.8 | 0 | 0 | 0 | 125.9 | | |
| 455 | D | 27.2 | Very low | 31 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 101.3 | 135.3 | 135.2 | -68.7 | -15.2 | 0 | 0 | 0 | 125.3 | | |
| 456 | A | 30 | Very low | 31.3 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | 81.5 | 102.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 457 | E | 32.3 | Very low | 31 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | trans | 25.7 | 127.4 | 134.2 | -63.9 | 174.9 | 122 | 0 | 0 | 123.4 | | |
| 458 | S | 27.1 | Very low | 31.4 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | | -179.5 | 129.7 | 114.8 | 37.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 459 | H | 26.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | | 26.7 | 129.1 | 125.7 | -102.6 | -84.4 | 0 | 0 | 0 | 119.1 | | |
| 460 | Y | 30.6 | Very low | 31.2 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | | | cis | -151.2 | 168.9 | 39.1 | -94.7 | -90.4 | 0 | 0 | 0 | 114.1 | | |
| 461 | Q | 33.2 | Very low | 31.9 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -101.6 | -169.1 | 174.8 | -62.6 | -179.9 | -14.3 | 0 | 0 | 113.5 | | |
| 462 | L | 27.6 | Very low | 31.4 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 87.9 | 135.5 | 163.2 | -99.8 | 69.9 | 0 | 0 | 0 | 116.5 | | |
| 463 | T | 26.9 | Very low | 30.3 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | cis | -152.8 | 136.3 | 7.5 | -23.7 | 0 | 0 | 0 | 0 | 107 | | |
| 464 | T | 33.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 143 Ų | 143 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | | 40.4 | 132.2 | 88 | 1.7 | 0 | 0 | 0 | 0 | 113.5 | E466 | T464-E466 HydrophobicContact CG2-CG 4.33Š|
| 465 | E | 27.7 | Very low | 30 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | | | cis | -143.5 | 152.7 | 47.8 | -71.8 | 170.9 | 179 | 0 | 0 | 110.8 | | |
| 466 | E | 35.8 | Very low | 30 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | cis | 101.6 | 110.3 | 36.2 | -89.4 | -149.6 | 140.8 | 0 | 0 | 115.8 | T464 | T464-E466 HydrophobicContact CG2-CG 4.33Š|
| 467 | F | 29.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 63.4 | 163.5 | 152 | -69.4 | -108.1 | 0 | 0 | 0 | 120.1 | | |
| 468 | S | 31.8 | Very low | 29.9 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -173.1 | 170.4 | -34.4 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 469 | E | 27.4 | Very low | 29.9 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | 87.4 | 146 | 146.7 | -150.1 | 158.8 | -142.9 | 0 | 0 | 121.6 | | |
| 470 | M | 35.4 | Very low | 30 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | | | trans | -146.1 | 140.7 | 176.2 | -104.9 | -85.8 | 87.4 | 0 | 0 | 107.7 | | |
| 471 | P | 40.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | | -149.6 | -171.7 | 117.7 | 33.9 | -13.7 | 0 | 0 | 0 | 115.3 | | |
| 472 | A | 28 | Very low | 29.5 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | trans | -106 | 169.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 473 | S | 26.4 | Very low | 30.4 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | | 154.6 | 159.5 | 117.9 | 60.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 474 | L | 26.6 | Very low | 30.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | 73.6 | 152.7 | 163.3 | -53.2 | 176.4 | 0 | 0 | 0 | 119.5 | | |
| 475 | S | 26.1 | Very low | 29.9 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | cis | -174.2 | 170.4 | -30.2 | -160.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 476 | L | 26.6 | Very low | 29.8 | Very low | 160 Ų | 160 | 140 Ų | 140 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | 69.6 | 151.8 | 169.9 | -94.9 | 70.3 | 0 | 0 | 0 | 118.6 | | |
| 477 | S | 28.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | cis | -162.4 | 141.5 | 1.2 | 51.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 478 | Q | 33 | Very low | 29.4 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | 67 | 155.2 | 134.9 | -69.2 | -179 | -70 | 0 | 0 | 126.2 | | |
| 479 | Q | 27.2 | Very low | 29.4 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 93.8 | 96.3 | 160.1 | -151.3 | 165.6 | 6 | 0 | 0 | 116.4 | | |
| 480 | E | 27.5 | Very low | 29.7 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | | 67.9 | 104.2 | 66.3 | -65.5 | -173 | 154.2 | 0 | 0 | 114.8 | | |
| 481 | D | 27.9 | Very low | 29.5 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 165.9 | 153.6 | 115.6 | -88 | -33.4 | 0 | 0 | 0 | 115.2 | | |
| 482 | N | 26.1 | Very low | 29.1 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -127.2 | -172.5 | 174.7 | -106 | -43.5 | 0 | 0 | 0 | 106.8 | | |
| 483 | P | 45.9 | Very low | 29.1 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | cis | -138.4 | -174.6 | -12.3 | 32.2 | -9.2 | 0 | 0 | 0 | 116.2 | | |
| 484 | S | 25.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 77.4 | 160.7 | 149.6 | 96.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 485 | S | 25.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | cis | -165.3 | -173.8 | 1.3 | -162.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 486 | Y | 25.9 | Very low | 30.6 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | 82.2 | 102.3 | 159.8 | -176.2 | -82.3 | 0 | 0 | 0 | 117.7 | | |
| 487 | N | 27.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | | | | 77.5 | 150.2 | 92 | -72.6 | -16.2 | 0 | 0 | 0 | 115.4 | | |
| 488 | V | 30.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | -158.8 | 166.2 | -8.8 | 126.3 | 0 | 0 | 0 | 0 | 109 | | |
| 489 | D | 31.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | trans | -48.4 | 160.5 | -178.9 | -47.8 | -71.2 | 0 | 0 | 0 | 118.6 | | |
| 490 | Y | 32.1 | Very low | 31.3 | Very low | 229 Ų | 229 | 146.1 Ų | 146.1 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | | | | -160 | 143.4 | 117.1 | -121.1 | -84.1 | 0 | 0 | 0 | 112.8 | | |
| 491 | D | 32.5 | Very low | 31.3 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | -96.1 | -174 | -172.4 | -102.4 | -45.9 | 0 | 0 | 0 | 114.8 | | |
| 492 | I | 30.2 | Very low | 31.3 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | | | trans | 73.2 | 117.6 | 156.8 | -10.3 | 174 | 0 | 0 | 0 | 116.3 | | |
| 493 | Y | 27.9 | Very low | 31.7 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | | -169.5 | 146.8 | 64 | -134.8 | -85.9 | 0 | 0 | 0 | 113.4 | H495 | Y493-H495 AromaticContact CD1-CD2 3.78Å; Y493-H495 AromaticContact CD1-NE2 3.53Å; Y493-H495 AromaticContact CE1-NE2 3.39Å; Y493-H495 WeakPolarHBondContact CE1-NE2 3.32Å |
| 494 | K | 39.7 | Very low | 31 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | -86.1 | 141.8 | 168.9 | -77.8 | -164.6 | 177.1 | -169.5 | 0 | 111.6 | | |
| 495 | H | 31.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -153 | 124 | 146.8 | -82.8 | -61.3 | 0 | 0 | 0 | 114 | Y493 | Y493-H495 AromaticContact CD1-CD2 3.78Å; Y493-H495 AromaticContact CD1-NE2 3.53Å; Y493-H495 AromaticContact CE1-NE2 3.39Å; Y493-H495 WeakPolarHBondContact CE1-NE2 3.32Å |
| 496 | L | 39.8 | Very low | 31.8 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -91 | 147.5 | 139.7 | -73.9 | 163.9 | 0 | 0 | 0 | 106 | | |
| 497 | P | 40.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -156 | 164 | 93 | 40.7 | -21.8 | 0 | 0 | 0 | 117.7 | | |
| 498 | S | 30.9 | Very low | 32.3 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | | 24.2 | 131.9 | 126.8 | -157.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 499 | N | 30 | Very low | 32.5 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | | -178.7 | 164.4 | 107.5 | -96.9 | 3.6 | 0 | 0 | 0 | 114.6 | | |
| 500 | D | 30.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | -91.8 | 171.1 | -168.3 | -55.5 | -73.2 | 0 | 0 | 0 | 116.7 | | |
| 501 | N | 27.3 | Very low | 32.7 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 88.9 | 115.7 | 144.4 | -66.6 | -41.6 | 0 | 0 | 0 | 122.4 | | |
| 502 | A | 27.5 | Very low | 32.6 | Very low | 93 Ų | 93 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | 62.2 | 127.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 503 | S | 35.4 | Very low | 32.8 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | | 179.5 | 171.7 | 59.2 | 53 | 0 | 0 | 0 | 0 | 113.3 | | |
| 504 | A | 30.3 | Very low | 33 | Very low | 90 Ų | 90 | 152.2 Ų | 152.2 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | 73.1 | 112.7 | 156 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 505 | H | 34.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 152 Ų | 152 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | 51.4 | 121.3 | 135.4 | -109.7 | -110.4 | 0 | 0 | 0 | 119.5 | | |
| 506 | E | 33.4 | Very low | 32.8 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | -157.6 | 156.6 | 59.8 | -90.4 | -164.3 | 157.9 | 0 | 0 | 114.6 | | |
| 507 | T | 35.2 | Very low | 32.5 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -92 | 121.8 | 175.8 | 49.6 | 0 | 0 | 0 | 0 | 113 | | |
| 508 | S | 28.1 | Very low | 32.1 | Very low | 95 Ų | 95 | 164.2 Ų | 164.2 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | | | trans | -151.9 | 112.5 | 173.9 | 178.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 509 | H | 34.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 168.9 Ų | 168.9 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | | | trans | 61.4 | 135.2 | 141 | -67.6 | -36.4 | 0 | 0 | 0 | 120.9 | | |
| 510 | R | 31.5 | Very low | 32.5 | Very low | 188 Ų | 188 | 169 Ų | 169 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | | | cis | -148 | 150.5 | 5 | -61.6 | -167.1 | 164.3 | -169.4 | -7.6 | 112.6 | | |
| 511 | R | 36.3 | Very low | 32.4 | Very low | 254 Ų | 254 | 170.2 Ų | 170.2 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | | | trans | -97.6 | 141.5 | 149.5 | -70 | -171.1 | 178.1 | -157.3 | 0.4 | 110.5 | | |
| 512 | R | 30.1 | Very low | 32.6 | Very low | 184 Ų | 184 | 171.1 Ų | 171.1 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | | | trans | -158.2 | 140.4 | 172.3 | -116.3 | -171.9 | 174.6 | 178.8 | -1.2 | 105.7 | | |
| 513 | R | 33.8 | Very low | 32.7 | Very low | 209 Ų | 209 | 170.5 Ų | 170.5 | 79% | 0.789 | 81% | 0.806 | S | S | * | * | | | cis | -144 | 150 | 13.9 | -56.8 | 174.5 | 176.3 | -151.9 | -0.6 | 110.3 | | |
| 514 | Q | 32.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 174.3 Ų | 174.3 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | | | trans | -138.4 | 143.3 | 151.6 | -133.7 | -168.5 | 34.9 | 0 | 0 | 109.3 | | |
| 515 | K | 33.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 179.3 Ų | 179.3 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | 61.1 | 114.9 | 167.7 | -58.7 | 177.1 | -176 | 174.3 | 0 | 117.9 | | |
| 516 | R | 34.3 | Very low | 32.7 | Very low | 238 Ų | 238 | 182.4 Ų | 182.4 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | | | trans | -122 | 114.1 | 154.3 | -93.8 | -171.7 | 168.6 | -165.8 | -4.6 | 109.4 | | |
| 517 | K | 34.1 | Very low | 33.2 | Very low | 208 Ų | 208 | 179.3 Ų | 179.3 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -152.6 | 124.6 | 152.9 | -93.5 | -165.8 | 176.4 | -173.8 | 0 | 106.9 | | |
| 518 | R | 31.9 | Very low | 33 | Very low | 248 Ų | 248 | 182 Ų | 182 | 94% | 0.936 | 82% | 0.819 | S | S | * | * | | | trans | -162.8 | 141.6 | 154.7 | -105.6 | -164.8 | -69.7 | -133.1 | 7.3 | 109 | | |
| 519 | H | 32.4 | Very low | 33.3 | Very low | 189 Ų | 189 | 186.9 Ų | 186.9 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | | | trans | -87.5 | 167.9 | 172.3 | -81.9 | -114.8 | 0 | 0 | 0 | 111 | | |
| 520 | L | 35.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 188.3 Ų | 188.3 | 80% | 0.801 | 84% | 0.836 | S | S | * | * | | | trans | -149.5 | 108.3 | 154.2 | -163.3 | 69.9 | 0 | 0 | 0 | 104.2 | | |
| 521 | E | 29 | Very low | 33 | Very low | 158 Ų | 158 | 187.7 Ų | 187.7 | 74% | 0.738 | 84% | 0.841 | S | S | * | * | | | | 62.8 | 86.1 | 81.6 | -159.6 | 172.3 | -131.9 | 0 | 0 | 110.6 | | |
| 522 | E | 31.6 | Very low | 33 | Very low | 171 Ų | 171 | 179.8 Ų | 179.8 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | | | | 92.3 | 93.7 | 85.6 | -167.9 | 172.8 | -152.1 | 0 | 0 | 112.4 | | |
| 523 | G | 30 | Very low | 33.1 | Very low | 79 Ų | 79 | 179.2 Ų | 179.2 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | -101.5 | 132 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 524 | K | 34.2 | Very low | 33.1 | Very low | 194 Ų | 194 | 176.7 Ų | 176.7 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -75.6 | 136.3 | -169 | -58.3 | 167.7 | -177.6 | 173.4 | 0 | 112.2 | | |
| 525 | E | 29.5 | Very low | 33.3 | Very low | 195 Ų | 195 | 176.4 Ų | 176.4 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | | | | -165.5 | 148.9 | 121.6 | -110.9 | 173.2 | -172.5 | 0 | 0 | 113 | | |
| 526 | R | 36.2 | Very low | 33.4 | Very low | 237 Ų | 237 | 177.6 Ų | 177.6 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | | | trans | -160.3 | 162.5 | 177.6 | -99.9 | -171.7 | 177.7 | -178.5 | 1.8 | 106 | | |
| 527 | P | 44.2 | Very low | 33.6 | Very low | 110 Ų | 110 | 174.7 Ų | 174.7 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | | | cis | -129.3 | 173.6 | -6.1 | 39.7 | -25.7 | 0 | 0 | 0 | 112.8 | | |
| 528 | E | 29.4 | Very low | 33.5 | Very low | 197 Ų | 197 | 175 Ų | 175 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -152.1 | 155.3 | 134.1 | -126.6 | 165.1 | -164.8 | 0 | 0 | 112.8 | | |
| 529 | K | 35.1 | Very low | 33.4 | Very low | 197 Ų | 197 | 168.2 Ų | 168.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -109.1 | 137 | -176.6 | -53.9 | 165 | -177.3 | 166.7 | 0 | 107.6 | | |
| 530 | E | 27.5 | Very low | 33.3 | Very low | 192 Ų | 192 | 168.1 Ų | 168.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -150.3 | 143.6 | 136.9 | -132.1 | 178.3 | 159.4 | 0 | 0 | 112.9 | | |
| 531 | Q | 31.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 167.5 Ų | 167.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -95.3 | 158 | 166.3 | -65 | -168.5 | -9 | 0 | 0 | 109.1 | | |
| 532 | S | 36.6 | Very low | 33.6 | Very low | 88 Ų | 88 | 166.4 Ų | 166.4 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | | | | 124.2 | 136.1 | 119 | 84.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 533 | K | 33.7 | Very low | 34 | Very low | 173 Ų | 173 | 166.2 Ų | 166.2 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | 71.6 | 123.1 | 136.8 | -71.7 | 160.9 | -171.2 | 169.7 | 0 | 121.5 | | |
| 534 | H | 33.2 | Very low | 34.2 | Very low | 156 Ų | 156 | 168.5 Ų | 168.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 74.8 | 156.2 | 134.4 | -75.1 | -27.7 | 0 | 0 | 0 | 118.4 | | |
| 535 | K | 36.5 | Very low | 34.8 | Very low | 160 Ų | 160 | 167 Ų | 167 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | | | cis | -152.7 | 132 | 3.6 | -115.9 | 152.9 | -174.2 | 174.3 | 0 | 106.7 | | |
| 536 | R | 34.6 | Very low | 35 | Very low | 213 Ų | 213 | 165.2 Ų | 165.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | | 78.4 | 115.6 | 79.6 | -171 | -163 | -170.6 | -178.8 | 6.8 | 116.1 | | |
| 537 | K | 38.2 | Very low | 35.2 | Very low | 177 Ų | 177 | 162.7 Ų | 162.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 162.3 | 149.2 | 135.2 | -96 | 174.3 | -177.1 | 178.1 | 0 | 110.1 | | |
| 538 | R | 32 | Very low | 34.8 | Very low | 214 Ų | 214 | 164.1 Ų | 164.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | cis | -162.9 | 165.8 | -8.8 | -160.7 | 177.4 | -174.3 | 172.3 | -0.6 | 109.7 | | |
| 539 | S | 30.8 | Very low | 35.1 | Very low | 106 Ų | 106 | 163.2 Ų | 163.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 82 | 139.8 | 148.8 | 50.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 540 | Y | 30.5 | Very low | 35 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | cis | -172.2 | 124.2 | -14.9 | -177.7 | -104.8 | 0 | 0 | 0 | 110.1 | | |
| 541 | Q | 40.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 158 Ų | 158 | 65% | 0.654 | 75% | 0.748 | S | S | * | * | | | trans | 55.8 | 159.5 | 162.9 | -65.7 | 180 | -10.6 | 0 | 0 | 117.7 | | |
| 542 | D | 30.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | cis | -141.1 | 161.7 | 11.5 | -153.8 | 10.4 | 0 | 0 | 0 | 114.6 | | |
| 543 | K | 39 | Very low | 35.2 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | | | trans | -54.4 | 140.6 | -170.8 | -77.9 | 175.5 | 176.1 | -170.1 | 0 | 117.7 | | |
| 544 | D | 35 | Very low | 35.1 | Very low | 127 Ų | 127 | 159.6 Ų | 159.6 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | | 61.1 | 107.5 | 87.2 | -66.8 | -43.9 | 0 | 0 | 0 | 113.1 | | |
| 545 | L | 46.8 | Very low | 35.4 | Very low | 163 Ų | 163 | 162 Ų | 162 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | | 62.4 | 112.2 | 86.1 | -68.1 | 178.9 | 0 | 0 | 0 | 113.8 | | |
| 546 | D | 32.8 | Very low | 35.3 | Very low | 158 Ų | 158 | 164.2 Ų | 164.2 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | | -153.2 | 145.3 | 128.1 | -149.1 | -8.8 | 0 | 0 | 0 | 112.5 | | |
| 547 | K | 41 | Very low | 35.2 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | -139.6 | 113.5 | 164.4 | -84.5 | -169 | 178 | -176.9 | 0 | 106.8 | | |
| 548 | D | 35.9 | Very low | 35 | Very low | 141 Ų | 141 | 159.4 Ų | 159.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | | 168.2 | 165.2 | 122.8 | -86.3 | -19 | 0 | 0 | 0 | 112.8 | | |
| 549 | K | 36.4 | Very low | 35 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 98.5 | 103.2 | 151.3 | -51.5 | -162.6 | -178.8 | 166.8 | 0 | 120.8 | | |
| 550 | L | 31.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 161 Ų | 161 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | | 72 | 112.9 | 122.7 | -85.3 | 106.5 | 0 | 0 | 0 | 122.6 | | |
| 551 | I | 35.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | | 44.1 | 111.3 | 124 | -40 | -176.5 | 0 | 0 | 0 | 119 | | |
| 552 | K | 32.3 | Very low | 34.8 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | | 177.7 | 129.7 | 112.2 | -97 | 178.8 | -173.1 | 175.7 | 0 | 116 | | |
| 553 | Q | 32.1 | Very low | 34.9 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | 50.2 | 118.1 | 135.2 | -63.2 | 178.8 | -35.2 | 0 | 0 | 123.4 | | |
| 554 | S | 32.3 | Very low | 34.5 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | -179.8 | 125.7 | 122.2 | 33.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 555 | K | 38.9 | Very low | 34.6 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | | 73.1 | 94.9 | 62.3 | -85.9 | -161.6 | 174.4 | -171.5 | 0 | 116 | | |
| 556 | R | 34.7 | Very low | 33.8 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | | -168.4 | 128.1 | 127.9 | -110.1 | -172.7 | 166.7 | -132.4 | -21.4 | 109.8 | | |
| 557 | E | 32.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 153 Ų | 153 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | | | | 73.5 | 138.5 | 111.1 | -80.5 | 165.6 | -162.9 | 0 | 0 | 113.8 | | |
| 558 | E | 34.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | cis | -150.8 | 167 | 14.3 | -147.1 | 164.3 | -150.7 | 0 | 0 | 113.1 | | |
| 559 | D | 31.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -44.2 | 151.5 | -172.8 | -60.1 | -35.4 | 0 | 0 | 0 | 120 | | |
| 560 | K | 40.2 | Very low | 33.4 | Very low | 209 Ų | 209 | 151.4 Ų | 151.4 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | -145.6 | 136 | 114.1 | -70.6 | -154.8 | 177.3 | 177.5 | 0 | 112.6 | | |
| 561 | A | 29.3 | Very low | 33.5 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -72.2 | 164.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 562 | G | 28.9 | Very low | 33.4 | Very low | 64 Ų | 64 | 158.1 Ų | 158.1 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | cis | 168.2 | -166.3 | -0.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 563 | V | 31.1 | Very low | 33.8 | Very low | 138 Ų | 138 | 159.3 Ų | 159.3 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | 64.5 | 96.6 | 163.8 | -168.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 564 | S | 32.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 160.9 Ų | 160.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | | 88.5 | 105.8 | 54.5 | 80.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 565 | S | 35.5 | Very low | 34.3 | Very low | 119 Ų | 119 | 165.8 Ų | 165.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -178.7 | 147.1 | 156.1 | 55.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 566 | E | 30.9 | Very low | 34.1 | Very low | 190 Ų | 190 | 163.9 Ų | 163.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | cis | -157.1 | 161 | -20.3 | -172.1 | 165.3 | 176.2 | 0 | 0 | 106.4 | | |
| 567 | K | 33.8 | Very low | 34 | Very low | 187 Ų | 187 | 161.2 Ų | 161.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -88 | 175 | -170.7 | -73 | 173.5 | 179.8 | 164.9 | 0 | 113.1 | | |
| 568 | T | 34.6 | Very low | 33.8 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | 98.7 | 144.2 | 154 | 73.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 569 | K | 35.5 | Very low | 33.5 | Very low | 168 Ų | 168 | 161 Ų | 161 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | | | cis | 166.6 | 152.8 | -24.7 | -109.9 | 178.6 | 177.7 | -175.2 | 0 | 104.8 | | |
| 570 | H | 33.3 | Very low | 33.4 | Very low | 169 Ų | 169 | 159.4 Ų | 159.4 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | | | trans | 68.2 | 156.7 | 158.8 | -67.3 | -44.3 | 0 | 0 | 0 | 116.5 | | |
| 571 | R | 34.2 | Very low | 33 | Very low | 209 Ų | 209 | 154.9 Ų | 154.9 | 79% | 0.789 | 79% | 0.793 | S | S | * | * | | | cis | -169.4 | 138.1 | -5.2 | 145.6 | -178.7 | 173.5 | 170.7 | -2.3 | 112.6 | | |
| 572 | R | 33.2 | Very low | 33.5 | Very low | 213 Ų | 213 | 158.9 Ų | 158.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 51.7 | 112.7 | 155.1 | -75.7 | -177 | 173.9 | -172.8 | -0.6 | 122.4 | | |
| 573 | K | 40.4 | Very low | 33.6 | Very low | 204 Ų | 204 | 165 Ų | 165 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | | 42.6 | 117.2 | 113.9 | -77.1 | -178.2 | 171 | 174.6 | 0 | 121.5 | | |
| 574 | K | 41.2 | Very low | 33.7 | Very low | 203 Ų | 203 | 166.1 Ų | 166.1 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | -141.2 | 127.3 | 122 | -83.9 | 177.8 | 176.6 | 176 | 0 | 105.7 | | |
| 575 | R | 35.5 | Very low | 33.9 | Very low | 222 Ų | 222 | 167.2 Ų | 167.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | | 54.6 | 123.4 | 69.2 | -81.3 | -168.2 | 170.7 | -173.2 | -1 | 111.6 | | |
| 576 | K | 33.5 | Very low | 34.1 | Very low | 167 Ų | 167 | 171 Ų | 171 | 73% | 0.726 | 79% | 0.787 | S | S | * | * | | | cis | -162.1 | 161.8 | 10.2 | -99.1 | -177.9 | 175.5 | -168.5 | 0 | 110.3 | | |
| 577 | H | 32.5 | Very low | 34.6 | Very low | 150 Ų | 150 | 170.6 Ų | 170.6 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | 62.2 | 150.1 | 161.7 | -84.2 | -122.4 | 0 | 0 | 0 | 117 | | |
| 578 | E | 28 | Very low | 34.7 | Very low | 161 Ų | 161 | 169.7 Ų | 169.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | cis | -133.6 | 169.2 | 16.9 | -156.7 | 116.8 | -114.9 | 0 | 0 | 113.5 | | |
| 579 | T | 28.7 | Very low | 35.2 | Very low | 121 Ų | 121 | 172.1 Ų | 172.1 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -77.5 | 170.4 | -177 | 51.5 | 0 | 0 | 0 | 0 | 113 | | |
| 580 | S | 28.5 | Very low | 35.2 | Very low | 112 Ų | 112 | 173.2 Ų | 173.2 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | cis | -160.8 | 147.5 | 25.8 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 581 | S | 32.2 | Very low | 35.7 | Very low | 114 Ų | 114 | 172.8 Ų | 172.8 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | 171.4 | 100.1 | 139.7 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 582 | E | 39 | Very low | 36.1 | Very low | 189 Ų | 189 | 172 Ų | 172 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | 172.7 | 132.3 | 139.1 | -106 | -170.4 | 111 | 0 | 0 | 109 | | |
| 583 | K | 32.6 | Very low | 36.9 | Very low | 192 Ų | 192 | 171.9 Ų | 171.9 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | -157.2 | 95.4 | 156.4 | -143.7 | 170.9 | -173.7 | -177.2 | 0 | 113.8 | | |
| 584 | E | 32.5 | Very low | 36.9 | Very low | 163 Ų | 163 | 171.4 Ų | 171.4 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | 31.7 | 112.9 | 118.4 | -165.3 | 179.5 | -168.4 | 0 | 0 | 118.7 | | |
| 585 | E | 36 | Very low | 36.6 | Very low | 128 Ų | 128 | 166.6 Ų | 166.6 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | | | trans | 26.8 | 134.2 | 139.5 | -72.5 | -151.3 | 132.2 | 0 | 0 | 124.1 | | |
| 586 | R | 40 | Very low | 36.8 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | 68.3 | 118.1 | 137.7 | -68 | 168.7 | 173 | 152.6 | -3.3 | 119 | | |
| 587 | K | 41 | Very low | 37.1 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | | -175.2 | 136.5 | 103.2 | -96.4 | 171.2 | -175.9 | 176.3 | 0 | 115.6 | | |
| 588 | H | 35.7 | Very low | 37.8 | Very low | 168 Ų | 168 | 164.3 Ų | 164.3 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | trans | 47.1 | 111.4 | 152.5 | -55.9 | -62.2 | 0 | 0 | 0 | 124.3 | | |
| 589 | K | 45.2 | Very low | 38.9 | Very low | 180 Ų | 180 | 163.4 Ų | 163.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | | 37.1 | 107.4 | 125.7 | -160.2 | 178.9 | -173.3 | -175.5 | 0 | 119 | | |
| 590 | K | 36.8 | Very low | 40.4 | Very low | 192 Ų | 192 | 162.2 Ų | 162.2 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | -139.6 | 121.6 | 145.6 | -172.6 | 165.3 | -175.1 | 171.1 | 0 | 109.6 | | |
| 591 | E | 43.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 164.7 Ų | 164.7 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -66.6 | 138.1 | 173.3 | -72.8 | 164.9 | 176.5 | 0 | 0 | 110.1 | | |
| 592 | K | 41.7 | Very low | 42.7 | Very low | 192 Ų | 192 | 166.3 Ų | 166.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -130.1 | 128 | 160.6 | -77.4 | -172.5 | 174.1 | -175.7 | 0 | 107.5 | K594 | K592-K594 PolarHBondContact O-N 2.92Š|
| 593 | K | 49.8 | Very low | 43.5 | Very low | 212 Ų | 212 | 161 Ų | 161 | 92% | 0.922 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 132.9 | 164.6 | -77.6 | 178.5 | 169.3 | -178.7 | 0 | 108.3 | | |
| 594 | K | 40.3 | Very low | 45 | Very low | 193 Ų | 193 | 156.1 Ų | 156.1 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.3 | 158 | -107.9 | -167.5 | 169.2 | -155.9 | 0 | 107.5 | K592 | K592-K594 PolarHBondContact O-N 2.92Š|
| 595 | S | 35.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 148.8 | 165.1 | 38.9 | 0 | 0 | 0 | 0 | 109.7 | E597 | S595-E597 PolarHBondContact O-N 2.98Š|
| 596 | V | 41.2 | Very low | 47.2 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.3 | 159.5 | 172.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 597 | E | 38.4 | Very low | 47.8 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | | | trans | -89.9 | 111.4 | 172.3 | -163.5 | 154.8 | -160.4 | 0 | 0 | 105.5 | S595 R599 | S595-E597 PolarHBondContact O-N 2.98Å; E597-R599 PolarHBondContact O-N 3.03Å |
| 598 | E | 47.3 | Very low | 48.4 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | | | trans | -70.8 | 109.5 | -177 | -172.6 | 166.8 | -162.7 | 0 | 0 | 107.9 | T600 | E598-T600 PolarHBondContact O-N 3.21Š|
| 599 | R | 50.8 | Low | 49.3 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 54% | 0.536 | 70% | 0.701 | S | S | . | * | | | trans | -61.5 | 127.8 | 178.8 | -74 | -172.6 | 135.1 | -179.7 | -10.7 | 109 | E597 E603 D607 | E597-R599 PolarHBondContact O-N 3.03Å; R599-E603 WeakPolarHBondContact CD-OE2 3.36Å; R599-E603 WeakPolarHBondContact CG-OE2 3.48Å; R599-E603 IonicContact CZ-OE1 3.57Å; R599-E603 IonicContact CZ-OE2 3.17Å; R599-E603 IonicContact NE-OE1 3.96Å; R599-E603 PolarHBondContact NE-OE1 2.61Å; R599-E603 IonicContact NE-OE2 3.01Å; R599-E603 PolarHBondContact NE-OE2 3.12Å; R599-E603 IonicContact NH2-OE1 3.66Å; R599-E603 PolarHBondContact NH2-OE1 3.5Å; R599-D607 IonicContact NH1-OD2 2.67Å |
| 600 | T | 62.1 | Low | 49.7 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 59% | 0.589 | 70% | 0.697 | S | S | * | * | | | trans | -67.8 | 152 | 176.9 | 45.1 | 0 | 0 | 0 | 0 | 111 | E598 E602 E603 | E598-T600 PolarHBondContact O-N 3.21Å; T600-E602 PolarHBondContact O-N 2.94Å; T600-E602 VanDerWaalsContact O-N 3.09Å; T600-E603 WeakPolarHBondContact O-CB 3.49Å; T600-E603 PolarHBondContact O-N 2.82Å |
| 601 | E | 52.8 | Low | 50.2 | Low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -53.4 | -33.9 | -174.1 | -62.8 | 162.2 | -127.2 | 0 | 0 | 113 | E603 I604 L605 | E601-E603 VanDerWaalsContact C-N 3.32Å; E601-E603 PolarHBondContact O-N 2.86Å; E601-I604 PolarHBondContact O-N 3.26Å; E601-L605 PolarHBondContact O-N 3.22Å |
| 602 | E | 55.7 | Low | 50.1 | Low | 147 Ų | 147 | 137.8 Ų | 137.8 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -64 | -29.7 | 175.4 | -63 | -175.5 | 157.5 | 0 | 0 | 113.8 | T600 I604 | T600-E602 PolarHBondContact O-N 2.94Å; T600-E602 VanDerWaalsContact O-N 3.09Å; E602-I604 VanDerWaalsContact C-N 3.34Å |
| 603 | E | 56.1 | Low | 50.2 | Low | 78 Ų | 78 | 142 Ų | 142 | 36% | 0.364 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -75.8 | -25.1 | 178 | -158.7 | 179.9 | 177.9 | 0 | 0 | 111.9 | R599 T600 E601 | R599-E603 WeakPolarHBondContact CD-OE2 3.36Å; R599-E603 WeakPolarHBondContact CG-OE2 3.48Å; R599-E603 IonicContact CZ-OE1 3.57Å; R599-E603 IonicContact CZ-OE2 3.17Å; R599-E603 IonicContact NE-OE1 3.96Å; R599-E603 PolarHBondContact NE-OE1 2.61Å; R599-E603 IonicContact NE-OE2 3.01Å; R599-E603 PolarHBondContact NE-OE2 3.12Å; R599-E603 IonicContact NH2-OE1 3.66Å; R599-E603 PolarHBondContact NH2-OE1 3.5Å; T600-E603 WeakPolarHBondContact O-CB 3.49Å; T600-E603 PolarHBondContact O-N 2.82Å; E601-E603 VanDerWaalsContact C-N 3.32Å; E601-E603 PolarHBondContact O-N 2.86Å |
| 604 | I | 62.9 | Low | 50.2 | Low | 89 Ų | 89 | 138.6 Ų | 138.6 | 46% | 0.456 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -72.1 | -39 | 175.3 | -56.4 | 176.6 | 0 | 0 | 0 | 110.3 | E601 E602 W606 D607 | E601-I604 PolarHBondContact O-N 3.26Å; E602-I604 VanDerWaalsContact C-N 3.34Å; I604-W606 PolarHBondContact O-N 3.3Å; I604-D607 PolarHBondContact O-N 3.05Å; I604-D607 VanDerWaalsContact O-N 3.1Å |
| 605 | L | 56 | Low | 50.7 | Low | 110 Ų | 110 | 135.7 Ų | 135.7 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64.6 | -21.3 | -179.2 | -69.6 | 169.9 | 0 | 0 | 0 | 114.1 | E601 | E601-L605 PolarHBondContact O-N 3.22Å |
| 606 | W | 59.2 | Low | 51.6 | Low | 195 Ų | 195 | 137.5 Ų | 137.5 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.5 | -27.7 | 173.8 | -68.7 | 103.9 | 0 | 0 | 0 | 113.5 | I604 | I604-W606 PolarHBondContact O-N 3.3Å |
| 607 | D | 52.2 | Low | 52.2 | Low | 96 Ų | 96 | 137.3 Ų | 137.3 | 51% | 0.513 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -76.8 | -23.3 | -179.8 | -78 | -22.5 | 0 | 0 | 0 | 111.8 | R599 I604 | R599-D607 IonicContact NH1-OD2 2.67Å; I604-D607 PolarHBondContact O-N 3.05Å; I604-D607 VanDerWaalsContact O-N 3.1Å |
| 608 | E | 53.6 | Low | 53.1 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -81.2 | -17.7 | 179.5 | -65 | -169.3 | 153 | 0 | 0 | 114.5 | I610 | E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.34Å |
| 609 | S | 54.6 | Low | 53.5 | Low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -84.8 | 2.6 | 178.8 | -69.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 610 | I | 53.1 | Low | 53.7 | Low | 133 Ų | 133 | 131.6 Ų | 131.6 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -98.7 | -15.9 | -179.1 | -62.6 | 178.9 | 0 | 0 | 0 | 112.2 | E608 | E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.34Å |
| 611 | L | 48.2 | Very low | 53 | Low | 139 Ų | 139 | 134.4 Ų | 134.4 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -112.8 | 73.2 | 173.7 | -63.2 | 178.9 | 0 | 0 | 0 | 109.7 | F613 | L611-F613 PolarHBondContact O-N 2.95Š|
| 612 | G | 40.9 | Very low | 53.1 | Low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | | | trans | -58.1 | 126.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 613 | F | 44.3 | Very low | 52.8 | Low | 281 Ų | 281 | 130.5 Ų | 130.5 | 100% | 1.232 | 68% | 0.675 | S | S | * | * | | | trans | -79.3 | 0 | 165.2 | -80.7 | -89.7 | 0 | 0 | 0 | 110.7 | L611 | L611-F613 PolarHBondContact O-N 2.95Š|