| 1 | M | 31.3 | Very low | 28.4 | Very low | 240 Ų | 240 | 144 Ų | 144 | 100% | 1.182 | 77% | 0.77 | S | S | * | * | | | | 0 | 98.7 | 0 | -78.6 | 167.1 | 104.4 | 0 | 0 | 107.1 | | |
| 2 | V | 24.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | | | trans | -109.3 | 89.8 | 171.6 | 178 | 0 | 0 | 0 | 0 | 104.8 | | |
| 3 | T | 26.5 | Very low | 29.2 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -88.6 | 95.3 | 152.9 | 43 | 0 | 0 | 0 | 0 | 104.2 | C5 | T3-C5 PolarHBondContact O-N 3.43Š|
| 4 | C | 24.7 | Very low | 29.5 | Very low | 99 Ų | 99 | 136 Ų | 136 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | trans | -43.8 | 113.8 | 156.5 | -62.7 | 0 | 0 | 0 | 0 | 106 | S6 | C4-S6 PolarHBondContact O-N 3.1Š|
| 5 | C | 27.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | | | trans | -66.7 | 65 | 153.8 | -66.4 | 0 | 0 | 0 | 0 | 106 | T3 F7 | T3-C5 PolarHBondContact O-N 3.43Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.19Å |
| 6 | S | 25.7 | Very low | 30.1 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | | | trans | -48 | 107.6 | 160.7 | 164.6 | 0 | 0 | 0 | 0 | 103.5 | C4 F8 | C4-S6 PolarHBondContact O-N 3.1Å; S6-F8 WeakPolarHBondContact O-CA 3.44Å; S6-F8 PolarHBondContact O-N 3.04Å |
| 7 | F | 29.4 | Very low | 30.3 | Very low | 187 Ų | 187 | 125.3 Ų | 125.3 | 82% | 0.82 | 67% | 0.674 | S | S | * | * | | | trans | 11.9 | 79.9 | 163.6 | -64.1 | -86 | 0 | 0 | 0 | 108.7 | C5 N9 | C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.19Å; F7-N9 WeakPolarHBondContact O-CA 3.49Å; F7-N9 PolarHBondContact O-N 3.46Å |
| 8 | F | 29.5 | Very low | 30.4 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 79% | 0.789 | 66% | 0.659 | S | S | * | * | | | trans | -46.5 | 107 | 177.1 | -148.5 | -90.3 | 0 | 0 | 0 | 101.3 | S6 I10 | S6-F8 WeakPolarHBondContact O-CA 3.44Å; S6-F8 PolarHBondContact O-N 3.04Å; F8-I10 WeakPolarHBondContact O-CG1 3.38Å; F8-I10 PolarHBondContact O-N 2.84Å |
| 9 | N | 28 | Very low | 30.4 | Very low | 126 Ų | 126 | 122 Ų | 122 | 67% | 0.674 | 66% | 0.659 | S | S | * | * | | | trans | -50.3 | 109 | -177.4 | -93 | -40.7 | 0 | 0 | 0 | 100.6 | F7 F11 | F7-N9 WeakPolarHBondContact O-CA 3.49Å; F7-N9 PolarHBondContact O-N 3.46Å; N9-F11 HydrophobicContact CB-CD2 3.89Å; N9-F11 HydrophobicContact CB-CE2 4.38Å; N9-F11 PolarHBondContact O-N 3.02Å |
| 10 | I | 33.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 62% | 0.621 | 66% | 0.664 | S | S | * | * | | | trans | -73.9 | 73 | 173.9 | -56.4 | 174.8 | 0 | 0 | 0 | 99.8 | F8 I12 | F8-I10 WeakPolarHBondContact O-CG1 3.38Å; F8-I10 PolarHBondContact O-N 2.84Å; I10-I12 HydrophobicContact CG2-CG1 3.7Å; I10-I12 PolarHBondContact O-N 2.91Å |
| 11 | F | 31.9 | Very low | 30.2 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | | | trans | -49.1 | 88.8 | 138.3 | -93.1 | -86.5 | 0 | 0 | 0 | 101.4 | N9 I13 | N9-F11 HydrophobicContact CB-CD2 3.89Å; N9-F11 HydrophobicContact CB-CE2 4.38Å; N9-F11 PolarHBondContact O-N 3.02Å; F11-I13 HydrophobicContact CB-CG1 4.49Å; F11-I13 PolarHBondContact O-N 3.23Å |
| 12 | I | 32.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | | | trans | -53.5 | 92.5 | 154.6 | -63 | 174.4 | 0 | 0 | 0 | 100.4 | I10 L14 I32 | I10-I12 HydrophobicContact CG2-CG1 3.7Å; I10-I12 PolarHBondContact O-N 2.91Å; I12-L14 HydrophobicContact CG2-CD1 4.35Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.24Å; I12-I32 HydrophobicContact CG2-CG2 4.12Å |
| 13 | I | 34.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | | | trans | -66.7 | 88.8 | 168.2 | -56.1 | 178.7 | 0 | 0 | 0 | 100.9 | F11 L15 | F11-I13 HydrophobicContact CB-CG1 4.49Å; F11-I13 PolarHBondContact O-N 3.23Å; I13-L15 HydrophobicContact CG2-CD1 4.42Å; I13-L15 HydrophobicContact CG2-CG 3.82Å; I13-L15 PolarHBondContact O-N 3.5Å |
| 14 | L | 33.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | | | trans | -63.3 | 79 | 163.3 | -113.2 | 150.1 | 0 | 0 | 0 | 103.1 | I12 V16 I32 | I12-L14 HydrophobicContact CG2-CD1 4.35Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.24Å; L14-V16 HydrophobicContact CB-CG2 4.12Å; L14-V16 HydrophobicContact CD2-CG2 3.4Å; L14-V16 HydrophobicContact CG-CG2 4.38Å; L14-V16 PolarHBondContact O-N 3.02Å; L14-I32 HydrophobicContact CD2-CD1 4.1Å; L14-I32 HydrophobicContact CD2-CG1 3.98Å; L14-I32 HydrophobicContact CG-CG1 4.48Å |
| 15 | L | 34.4 | Very low | 31.2 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 55% | 0.55 | 65% | 0.647 | S | S | . | * | | | trans | -64.8 | 73.8 | 157.4 | -83.6 | 162.8 | 0 | 0 | 0 | 104.4 | I13 S17 | I13-L15 HydrophobicContact CG2-CD1 4.42Å; I13-L15 HydrophobicContact CG2-CG 3.82Å; I13-L15 PolarHBondContact O-N 3.5Å; L15-S17 PolarHBondContact O-N 3.42Å |
| 16 | V | 34.3 | Very low | 31.6 | Very low | 61 Ų | 61 | 120.4 Ų | 120.4 | 37% | 0.37 | 63% | 0.625 | S | S | . | * | | | trans | -67.8 | 84 | 159.3 | -170.3 | 0 | 0 | 0 | 0 | 103.2 | L14 V18 I28 | L14-V16 HydrophobicContact CB-CG2 4.12Å; L14-V16 HydrophobicContact CD2-CG2 3.4Å; L14-V16 HydrophobicContact CG-CG2 4.38Å; L14-V16 PolarHBondContact O-N 3.02Å; V16-V18 HydrophobicContact CB-CG2 4.27Å; V16-V18 HydrophobicContact CG1-CG2 3.5Å; V16-V18 PolarHBondContact O-N 3.41Å; V16-I28 HydrophobicContact CG1-CG2 3.56Å |
| 17 | S | 33.3 | Very low | 32 | Very low | 60 Ų | 60 | 117.4 Ų | 117.4 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | | | trans | -63.1 | 87.4 | 158.8 | 47.8 | 0 | 0 | 0 | 0 | 104.9 | L15 D19 | L15-S17 PolarHBondContact O-N 3.42Å; S17-D19 PolarHBondContact O-N 2.87Å |
| 18 | V | 32.5 | Very low | 32.3 | Very low | 67 Ų | 67 | 111.6 Ų | 111.6 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | | | trans | -69.6 | 81.1 | 168.7 | -172.2 | 0 | 0 | 0 | 0 | 105 | V16 Y20 | V16-V18 HydrophobicContact CB-CG2 4.27Å; V16-V18 HydrophobicContact CG1-CG2 3.5Å; V16-V18 PolarHBondContact O-N 3.41Å; V18-Y20 HydrophobicContact CB-CD2 4.33Å; V18-Y20 HydrophobicContact CG1-CD2 3.35Å; V18-Y20 HydrophobicContact CG1-CE2 3.7Å; V18-Y20 HydrophobicContact CG1-CG 4.21Å; V18-Y20 PolarHBondContact O-N 3.25Å |
| 19 | D | 30.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 65% | 0.647 | 56% | 0.561 | S | S | * | * | | | trans | -65.2 | 91.8 | 159.9 | -90.7 | -22.8 | 0 | 0 | 0 | 105.3 | S17 T21 | S17-D19 PolarHBondContact O-N 2.87Å; D19-T21 PolarHBondContact O-N 3.38Å |
| 20 | Y | 27.4 | Very low | 33.4 | Very low | 196 Ų | 196 | 100.2 Ų | 100.2 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | | | trans | -62.6 | 77.7 | 172.5 | -114.7 | -84.4 | 0 | 0 | 0 | 107.6 | V18 K22 | V18-Y20 HydrophobicContact CB-CD2 4.33Å; V18-Y20 HydrophobicContact CG1-CD2 3.35Å; V18-Y20 HydrophobicContact CG1-CE2 3.7Å; V18-Y20 HydrophobicContact CG1-CG 4.21Å; V18-Y20 PolarHBondContact O-N 3.25Å; Y20-K22 PolarHBondContact O-N 3.02Å |
| 21 | T | 29.1 | Very low | 33.8 | Very low | 86 Ų | 86 | 100.9 Ų | 100.9 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | | | trans | -67.8 | 105.5 | 165.6 | 49 | 0 | 0 | 0 | 0 | 105.7 | D19 C23 M24 | D19-T21 PolarHBondContact O-N 3.38Å; T21-C23 PolarHBondContact O-N 3.02Å; T21-M24 PolarHBondContact O-N 2.81Å |
| 22 | K | 29.5 | Very low | 34.4 | Very low | 210 Ų | 210 | 94.8 Ų | 94.8 | 91% | 0.913 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -5.5 | -178.8 | -85.5 | -177.3 | 171.8 | 179.7 | 0 | 115.5 | Y20 | Y20-K22 PolarHBondContact O-N 3.02Š|
| 23 | C | 32 | Very low | 34.8 | Very low | 123 Ų | 123 | 93.7 Ų | 93.7 | 83% | 0.831 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -8.3 | -173.7 | -62 | 0 | 0 | 0 | 0 | 115.1 | T21 | T21-C23 PolarHBondContact O-N 3.02Š|
| 24 | M | 29.4 | Very low | 35.3 | Very low | 137 Ų | 137 | 91.4 Ų | 91.4 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | | | trans | -141.4 | 97.6 | 176.7 | -73.1 | -159.9 | 148.2 | 0 | 0 | 111.5 | T21 N26 A27 | T21-M24 PolarHBondContact O-N 2.81Å; M24-N26 PolarHBondContact O-N 2.97Å; M24-A27 HydrophobicContact CB-CB 4.17Å |
| 25 | S | 36.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 90.7 Ų | 90.7 | 78% | 0.776 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.1 | -173.2 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 26 | N | 35.8 | Very low | 36.2 | Very low | 60 Ų | 60 | 90.6 Ų | 90.6 | 32% | 0.321 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 7.7 | -169.2 | -62 | 3.3 | 0 | 0 | 0 | 114.1 | M24 V50 L51 W52 | M24-N26 PolarHBondContact O-N 2.97Å; N26-V50 WeakPolarHBondContact O-CA 3.32Å; N26-L51 PolarHBondContact O-N 3.41Å; N26-W52 PolarHBondContact ND2-NE1 2.9Å |
| 27 | A | 35.3 | Very low | 36.2 | Very low | 25 Ų | 25 | 91.4 Ų | 91.4 | 21% | 0.207 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 107.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | M24 | M24-A27 HydrophobicContact CB-CB 4.17Å |
| 28 | I | 35.2 | Very low | 36.8 | Very low | 65 Ų | 65 | 99.5 Ų | 99.5 | 33% | 0.333 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 108.3 | 169.1 | -59.1 | 172 | 0 | 0 | 0 | 107.1 | V16 I49 L51 | V16-I28 HydrophobicContact CG1-CG2 3.56Å; I28-I49 PolarHBondContact N-O 3.44Å; I28-I49 PolarHBondContact O-N 3.2Å; I28-L51 HydrophobicContact CD1-CD1 4.03Å |
| 29 | S | 38.9 | Very low | 36.9 | Very low | 51 Ų | 51 | 100.2 Ų | 100.2 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.4 | 161.7 | 61.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 30 | G | 42.2 | Very low | 37 | Very low | 17 Ų | 17 | 96.5 Ų | 96.5 | 18% | 0.175 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y46 | G30-Y46 PolarHBondContact O-N 3.41Å |
| 31 | R | 41.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 94.6 Ų | 94.6 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.1 | 168.8 | -79.6 | -176.8 | 172.1 | 166.1 | 3.4 | 109.1 | F33 D45 | R31-F33 HydrophobicContact CB-CE2 4.03Å; R31-F33 HydrophobicContact CB-CZ 4.36Å; R31-D45 WeakPolarHBondContact CG-OD1 3.43Å; R31-D45 IonicContact CZ-OD1 3.7Å; R31-D45 IonicContact NE-OD1 2.8Å; R31-D45 PolarHBondContact NE-OD1 2.85Å; R31-D45 IonicContact NH2-OD1 3.75Å |
| 32 | I | 44.6 | Very low | 37.8 | Very low | 41 Ų | 41 | 92.6 Ų | 92.6 | 21% | 0.21 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.7 | 171.2 | -58.9 | 175.3 | 0 | 0 | 0 | 107.9 | I12 L14 I34 T43 L44 | I12-I32 HydrophobicContact CG2-CG2 4.12Å; L14-I32 HydrophobicContact CD2-CD1 4.1Å; L14-I32 HydrophobicContact CD2-CG1 3.98Å; L14-I32 HydrophobicContact CG-CG1 4.48Å; I32-I34 HydrophobicContact CG2-CG1 4.08Å; I32-T43 WeakPolarHBondContact O-CA 3.37Å; I32-L44 PolarHBondContact N-O 2.83Å; I32-L44 PolarHBondContact O-N 3.07Å; I32-L44 VanDerWaalsContact O-N 3.09Å |
| 33 | F | 41.5 | Very low | 38.3 | Very low | 74 Ų | 74 | 86 Ų | 86 | 33% | 0.325 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.7 | 172.9 | -64 | -91.6 | 0 | 0 | 0 | 108.8 | R31 P35 Y41 T43 | R31-F33 HydrophobicContact CB-CE2 4.03Å; R31-F33 HydrophobicContact CB-CZ 4.36Å; F33-P35 WeakPolarHBondContact O-CD 3.43Å; F33-Y41 AromaticContact CD1-CD2 3.61Å; F33-Y41 HydrophobicContact CD1-CD2 3.61Å; F33-Y41 AromaticContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CG 4.2Å; F33-Y41 HydrophobicContact CE1-CD2 4.12Å; F33-Y41 AromaticContact CE1-CE2 3.99Å; F33-Y41 HydrophobicContact CE1-CE2 3.99Å; F33-T43 HydrophobicContact CD1-CG2 3.61Å; F33-T43 HydrophobicContact CE1-CG2 3.56Å; F33-T43 HydrophobicContact CZ-CG2 4.47Å |
| 34 | I | 44.7 | Very low | 38.7 | Very low | 72 Ų | 72 | 85 Ų | 85 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 111 | 175.2 | -58.1 | 176 | 0 | 0 | 0 | 107.5 | I32 V36 Y41 A42 L44 | I32-I34 HydrophobicContact CG2-CG1 4.08Å; I34-V36 PolarHBondContact O-N 3.28Å; I34-Y41 CarbonylContact O-C 3.48Å; I34-Y41 WeakPolarHBondContact O-CA 3.32Å; I34-A42 HydrophobicContact CB-CB 4.43Å; I34-A42 PolarHBondContact N-O 2.88Å; I34-A42 PolarHBondContact O-N 3.49Å; I34-L44 HydrophobicContact CD1-CD1 3.78Å |
| 35 | P | 38.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 83.7 Ų | 83.7 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 123.7 | 172.6 | 26.7 | -31.5 | 0 | 0 | 0 | 109.2 | F33 | F33-P35 WeakPolarHBondContact O-CD 3.43Å |
| 36 | V | 47.5 | Very low | 39.6 | Very low | 104 Ų | 104 | 83.4 Ų | 83.4 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -34.5 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | I34 A40 A42 | I34-V36 PolarHBondContact O-N 3.28Å; V36-A40 PolarHBondContact N-O 3.27Å; V36-A42 HydrophobicContact CG2-CB 3.91Å |
| 37 | S | 34.5 | Very low | 40 | Very low | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 176.1 | 175.7 | 66 | 0 | 0 | 0 | 0 | 111 | G39 A40 | S37-G39 PolarHBondContact O-N 3.26Å; S37-A40 PolarHBondContact N-O 2.97Å; S37-A40 PolarHBondContact O-N 3.47Å |
| 38 | F | 45.4 | Very low | 40.1 | Very low | 230 Ų | 230 | 87.4 Ų | 87.4 | 100% | 1.009 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 102 | 176.4 | -88.6 | -86.3 | 0 | 0 | 0 | 111.3 | | |
| 39 | G | 34.7 | Very low | 39.9 | Very low | 82 Ų | 82 | 87.6 Ų | 87.6 | 85% | 0.845 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -2.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S37 | S37-G39 PolarHBondContact O-N 3.26Š|
| 40 | A | 33.6 | Very low | 39.5 | Very low | 43 Ų | 43 | 87.5 Ų | 87.5 | 36% | 0.355 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V36 S37 | V36-A40 PolarHBondContact N-O 3.27Å; S37-A40 PolarHBondContact N-O 2.97Å; S37-A40 PolarHBondContact O-N 3.47Å |
| 41 | Y | 34.1 | Very low | 38.9 | Very low | 157 Ų | 157 | 92 Ų | 92 | 62% | 0.616 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.6 | 176.1 | 50.2 | -92.7 | 0 | 0 | 0 | 110.6 | F33 I34 T43 | F33-Y41 AromaticContact CD1-CD2 3.61Å; F33-Y41 HydrophobicContact CD1-CD2 3.61Å; F33-Y41 AromaticContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CG 4.2Å; F33-Y41 HydrophobicContact CE1-CD2 4.12Å; F33-Y41 AromaticContact CE1-CE2 3.99Å; F33-Y41 HydrophobicContact CE1-CE2 3.99Å; I34-Y41 CarbonylContact O-C 3.48Å; I34-Y41 WeakPolarHBondContact O-CA 3.32Å; Y41-T43 HydrophobicContact CD2-CG2 3.82Å; Y41-T43 HydrophobicContact CE2-CG2 4.04Å |
| 42 | A | 38.5 | Very low | 38.1 | Very low | 43 Ų | 43 | 93.7 Ų | 93.7 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | I34 V36 | I34-A42 HydrophobicContact CB-CB 4.43Å; I34-A42 PolarHBondContact N-O 2.88Å; I34-A42 PolarHBondContact O-N 3.49Å; V36-A42 HydrophobicContact CG2-CB 3.91Å |
| 43 | T | 39.8 | Very low | 37.2 | Very low | 71 Ų | 71 | 96 Ų | 96 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127.9 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | I32 F33 Y41 | I32-T43 WeakPolarHBondContact O-CA 3.37Å; F33-T43 HydrophobicContact CD1-CG2 3.61Å; F33-T43 HydrophobicContact CE1-CG2 3.56Å; F33-T43 HydrophobicContact CZ-CG2 4.47Å; Y41-T43 HydrophobicContact CD2-CG2 3.82Å; Y41-T43 HydrophobicContact CE2-CG2 4.04Å |
| 44 | L | 40.4 | Very low | 36.4 | Very low | 103 Ų | 103 | 96.1 Ų | 96.1 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.1 | 167.8 | -75.7 | 161.9 | 0 | 0 | 0 | 108.4 | I32 I34 Y46 | I32-L44 PolarHBondContact N-O 2.83Å; I32-L44 PolarHBondContact O-N 3.07Å; I32-L44 VanDerWaalsContact O-N 3.09Å; I34-L44 HydrophobicContact CD1-CD1 3.78Å; L44-Y46 PolarHBondContact O-N 2.97Å |
| 45 | D | 42.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 97.3 Ų | 97.3 | 59% | 0.588 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.4 | 110 | 165.4 | -71.2 | -36.7 | 0 | 0 | 0 | 107.1 | R31 | R31-D45 WeakPolarHBondContact CG-OD1 3.43Å; R31-D45 IonicContact CZ-OD1 3.7Å; R31-D45 IonicContact NE-OD1 2.8Å; R31-D45 PolarHBondContact NE-OD1 2.85Å; R31-D45 IonicContact NH2-OD1 3.75Å |
| 46 | Y | 42 | Very low | 35.1 | Very low | 105 Ų | 105 | 100 Ų | 100 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83 | 125.9 | 173.2 | -150.5 | -89.2 | 0 | 0 | 0 | 108.7 | G30 L44 F48 I49 | G30-Y46 PolarHBondContact O-N 3.41Å; L44-Y46 PolarHBondContact O-N 2.97Å; Y46-F48 PolarHBondContact O-N 2.84Å; Y46-F48 VanDerWaalsContact O-N 3.17Å; Y46-I49 HydrophobicContact CD1-CD1 4.35Å; Y46-I49 HydrophobicContact CD1-CG1 3.91Å; Y46-I49 HydrophobicContact CE1-CD1 4.39Å; Y46-I49 HydrophobicContact CE1-CG1 3.96Å |
| 47 | P | 44.4 | Very low | 34.1 | Very low | 51 Ų | 51 | 101.7 Ų | 101.7 | 33% | 0.331 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.8 | 175.2 | 31 | -33.7 | 0 | 0 | 0 | 108.3 | P59 | P47-P59 HydrophobicContact CB-CG 3.52Å; P47-P59 HydrophobicContact CG-CG 4.03Å |
| 48 | F | 36.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 106.9 Ų | 106.9 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 14.2 | 106.5 | 168.5 | -34.3 | -80.6 | 0 | 0 | 0 | 115.3 | Y46 V50 | Y46-F48 PolarHBondContact O-N 2.84Å; Y46-F48 VanDerWaalsContact O-N 3.17Å; F48-V50 HydrophobicContact CB-CG2 4.32Å; F48-V50 PolarHBondContact O-N 3.25Å |
| 49 | I | 32.4 | Very low | 33 | Very low | 69 Ų | 69 | 99 Ų | 99 | 35% | 0.354 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 102.4 | 162.2 | -58.3 | 174.4 | 0 | 0 | 0 | 105.6 | I28 Y46 L51 | I28-I49 PolarHBondContact N-O 3.44Å; I28-I49 PolarHBondContact O-N 3.2Å; Y46-I49 HydrophobicContact CD1-CD1 4.35Å; Y46-I49 HydrophobicContact CD1-CG1 3.91Å; Y46-I49 HydrophobicContact CE1-CD1 4.39Å; Y46-I49 HydrophobicContact CE1-CG1 3.96Å; I49-L51 HydrophobicContact CG2-CG 4.28Å; I49-L51 PolarHBondContact O-N 3Å |
| 50 | V | 29.8 | Very low | 32.8 | Very low | 49 Ų | 49 | 104.4 Ų | 104.4 | 30% | 0.297 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 101.6 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 106.8 | N26 F48 W52 | N26-V50 WeakPolarHBondContact O-CA 3.32Å; F48-V50 HydrophobicContact CB-CG2 4.32Å; F48-V50 PolarHBondContact O-N 3.25Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 HydrophobicContact CG1-CG 4.16Å; V50-W52 PolarHBondContact O-N 3.31Å |
| 51 | L | 28.4 | Very low | 32.5 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 85.3 | 174.6 | -77.9 | 159.6 | 0 | 0 | 0 | 108.2 | N26 I28 I49 | N26-L51 PolarHBondContact O-N 3.41Å; I28-L51 HydrophobicContact CD1-CD1 4.03Å; I49-L51 HydrophobicContact CG2-CG 4.28Å; I49-L51 PolarHBondContact O-N 3Å |
| 52 | W | 26.6 | Very low | 32 | Very low | 171 Ų | 171 | 113.2 Ų | 113.2 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 111.7 | 163.6 | -88.6 | 62.8 | 0 | 0 | 0 | 107.8 | N26 V50 G54 D55 | N26-W52 PolarHBondContact ND2-NE1 2.9Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 HydrophobicContact CG1-CG 4.16Å; V50-W52 PolarHBondContact O-N 3.31Å; W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.93Å; W52-D55 PolarHBondContact O-N 2.73Å |
| 53 | G | 25.1 | Very low | 31.4 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 92% | 0.918 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.3 | 23.5 | 156 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 54 | G | 25 | Very low | 30.6 | Very low | 76 Ų | 76 | 121.9 Ų | 121.9 | 78% | 0.784 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102 | -2.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | W52 | W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.93Å |
| 55 | D | 27.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 127 Ų | 127 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.3 | -178.8 | -70.4 | -35.4 | 0 | 0 | 0 | 112.5 | W52 Y57 | W52-D55 PolarHBondContact O-N 2.73Å; D55-Y57 HydrophobicContact CB-CD2 4.25Å; D55-Y57 HydrophobicContact CB-CE2 3.43Å; D55-Y57 VanDerWaalsContact CB-CE2 3.43Å; D55-Y57 WeakPolarHBondContact O-CD2 3.31Å; D55-Y57 PolarHBondContact OD2-OH 3.35Å |
| 56 | I | 27.5 | Very low | 28.8 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 104.2 | 179.9 | -58.9 | 171.7 | 0 | 0 | 0 | 109.2 | | |
| 57 | Y | 28.3 | Very low | 27.8 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -93.4 | 118.6 | 177.2 | -63.7 | -84.9 | 0 | 0 | 0 | 111.4 | D55 | D55-Y57 HydrophobicContact CB-CD2 4.25Å; D55-Y57 HydrophobicContact CB-CE2 3.43Å; D55-Y57 VanDerWaalsContact CB-CE2 3.43Å; D55-Y57 WeakPolarHBondContact O-CD2 3.31Å; D55-Y57 PolarHBondContact OD2-OH 3.35Å |
| 58 | R | 27.8 | Very low | 26.8 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -90 | 122 | 171.1 | -159.3 | -179.4 | -167.4 | -177.8 | 7.1 | 108.9 | Y60 | R58-Y60 PolarHBondContact O-N 3.42Š|
| 59 | P | 28.1 | Very low | 26.3 | Very low | 64 Ų | 64 | 144 Ų | 144 | 42% | 0.416 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 124.6 | 175.6 | 23.3 | -30.2 | 0 | 0 | 0 | 109.9 | P47 K61 | P47-P59 HydrophobicContact CB-CG 3.52Å; P47-P59 HydrophobicContact CG-CG 4.03Å; P59-K61 PolarHBondContact O-N 3.02Å |
| 60 | Y | 30.1 | Very low | 26 | Very low | 197 Ų | 197 | 150 Ų | 150 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.1 | -177.3 | -84.9 | -94.3 | 0 | 0 | 0 | 111.1 | R58 K62 | R58-Y60 PolarHBondContact O-N 3.42Å; Y60-K62 PolarHBondContact O-N 2.93Å |
| 61 | K | 28.4 | Very low | 25.7 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -61.1 | 120.9 | 172 | -110.8 | 177.8 | 176.6 | 176.2 | 0 | 110 | P59 | P59-K61 PolarHBondContact O-N 3.02Š|
| 62 | K | 23.5 | Very low | 25.5 | Very low | 185 Ų | 185 | 157.4 Ų | 157.4 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | 62.7 | 123.4 | 160.5 | -94.1 | 178.9 | 173.7 | 178.1 | 0 | 117.8 | Y60 F64 | Y60-K62 PolarHBondContact O-N 2.93Å; K62-F64 PolarHBondContact O-N 3.13Å |
| 63 | P | 26 | Very low | 25.5 | Very low | 112 Ų | 112 | 156.3 Ų | 156.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -66 | 121 | 167.5 | 27.2 | -31 | 0 | 0 | 0 | 109.4 | Y65 | P63-Y65 PolarHBondContact O-N 3.26Å; P63-Y65 VanDerWaalsContact O-N 3.11Å |
| 64 | F | 23.3 | Very low | 25.4 | Very low | 184 Ų | 184 | 160 Ų | 160 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | | | trans | -64.2 | 109.7 | 162.3 | -82.1 | -94.6 | 0 | 0 | 0 | 107.3 | K62 Y66 | K62-F64 PolarHBondContact O-N 3.13Å; F64-Y66 HydrophobicContact CB-CD2 4.26Å; F64-Y66 PolarHBondContact O-N 3.24Å |
| 65 | Y | 21.7 | Very low | 25.3 | Very low | 212 Ų | 212 | 163.6 Ų | 163.6 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | | | trans | -64.4 | 91 | 160.4 | -90.1 | -96.6 | 0 | 0 | 0 | 107.1 | P63 Y67 | P63-Y65 PolarHBondContact O-N 3.26Å; P63-Y65 VanDerWaalsContact O-N 3.11Å; Y65-Y67 PolarHBondContact O-N 3.43Å |
| 66 | Y | 21.6 | Very low | 25.1 | Very low | 200 Ų | 200 | 168.4 Ų | 168.4 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | -70.3 | 106.4 | 163.3 | -107.8 | -95.5 | 0 | 0 | 0 | 107 | F64 N68 | F64-Y66 HydrophobicContact CB-CD2 4.26Å; F64-Y66 PolarHBondContact O-N 3.24Å; Y66-N68 PolarHBondContact O-N 3.33Å |
| 67 | Y | 21.6 | Very low | 24.9 | Very low | 209 Ų | 209 | 171.6 Ų | 171.6 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | -64.4 | 98.6 | 169.8 | -123.4 | -97.9 | 0 | 0 | 0 | 107.2 | Y65 K69 | Y65-Y67 PolarHBondContact O-N 3.43Å; Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.44Å |
| 68 | N | 23.6 | Very low | 24.5 | Very low | 153 Ų | 153 | 176.2 Ų | 176.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -58.6 | 92.9 | 171.9 | -85.7 | -19.8 | 0 | 0 | 0 | 109.5 | Y66 | Y66-N68 PolarHBondContact O-N 3.33Š|
| 69 | K | 27.1 | Very low | 24.2 | Very low | 178 Ų | 178 | 176.8 Ų | 176.8 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | -118.8 | 0.7 | 167.1 | -128.8 | -175.7 | -176.2 | -175.5 | 0 | 113.7 | Y67 | Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.44Å |
| 70 | Y | 25.7 | Very low | 23.9 | Very low | 193 Ų | 193 | 178.1 Ų | 178.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | -119.3 | 101.1 | 176.7 | -66.3 | -80.5 | 0 | 0 | 0 | 109 | D72 | Y70-D72 PolarHBondContact O-N 3.28Š|
| 71 | K | 24 | Very low | 23.6 | Very low | 202 Ų | 202 | 176.2 Ų | 176.2 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -68.5 | 72.4 | 159.2 | -78.6 | 179.8 | 169.8 | -178.4 | 0 | 107.3 | | |
| 72 | D | 24 | Very low | 23.3 | Very low | 116 Ų | 116 | 176.6 Ų | 176.6 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | | | trans | -94 | 113.8 | 171.1 | -77 | -24.2 | 0 | 0 | 0 | 108.8 | Y70 H74 | Y70-D72 PolarHBondContact O-N 3.28Å; D72-H74 PolarHBondContact O-N 3.32Å |
| 73 | N | 26.2 | Very low | 23.5 | Very low | 148 Ų | 148 | 174.5 Ų | 174.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -66 | 42.9 | -174 | -74 | -25.7 | 0 | 0 | 0 | 114.2 | N75 | N73-N75 PolarHBondContact O-N 3.19Š|
| 74 | H | 23.6 | Very low | 23.3 | Very low | 166 Ų | 166 | 174.4 Ų | 174.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -95.9 | 70.4 | 178.5 | -65.8 | -42.7 | 0 | 0 | 0 | 111.5 | D72 Y76 | D72-H74 PolarHBondContact O-N 3.32Å; H74-Y76 PolarHBondContact O-N 3.37Å |
| 75 | N | 22.2 | Very low | 23.3 | Very low | 151 Ų | 151 | 173.5 Ų | 173.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | -81.2 | 82.3 | 160.6 | -86 | -16.5 | 0 | 0 | 0 | 109.6 | N73 | N73-N75 PolarHBondContact O-N 3.19Š|
| 76 | Y | 22.2 | Very low | 23.3 | Very low | 200 Ų | 200 | 169.5 Ų | 169.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -154.8 | 88 | 164.7 | -75.6 | -73 | 0 | 0 | 0 | 111.4 | H74 | H74-Y76 PolarHBondContact O-N 3.37Š|
| 77 | Y | 23 | Very low | 23.4 | Very low | 209 Ų | 209 | 166.1 Ų | 166.1 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | | | trans | -145.5 | 93.2 | 144.5 | -77.8 | -68.6 | 0 | 0 | 0 | 109.1 | Y79 | Y77-Y79 PolarHBondContact O-N 3.36Š|
| 78 | Y | 20.5 | Very low | 23.5 | Very low | 236 Ų | 236 | 161.8 Ų | 161.8 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | trans | -64.5 | 106.2 | 159.9 | -123.2 | -98.8 | 0 | 0 | 0 | 106.7 | S80 | Y78-S80 PolarHBondContact O-N 3.16Š|
| 79 | Y | 22.3 | Very low | 23.4 | Very low | 199 Ų | 199 | 160 Ų | 160 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -84.5 | 112.3 | 167.8 | -84.5 | -89.2 | 0 | 0 | 0 | 108.2 | Y77 N81 | Y77-Y79 PolarHBondContact O-N 3.36Å; Y79-N81 PolarHBondContact O-N 2.88Å |
| 80 | S | 21.8 | Very low | 23.3 | Very low | 92 Ų | 92 | 157 Ų | 157 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -55.5 | 122.5 | 168.5 | -62.6 | 0 | 0 | 0 | 0 | 109.1 | Y78 Y82 | Y78-S80 PolarHBondContact O-N 3.16Å; S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 WeakPolarHBondContact O-CD2 3.31Å; S80-Y82 PolarHBondContact O-N 3.18Å |
| 81 | N | 23.5 | Very low | 22.9 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -63.8 | 92.5 | 177.1 | -142.4 | 0 | 0 | 0 | 0 | 108.2 | Y79 N83 | Y79-N81 PolarHBondContact O-N 2.88Å; N81-N83 PolarHBondContact O-N 2.9Å |
| 82 | Y | 22.7 | Very low | 22.9 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -75.7 | 64.2 | 170.6 | -87 | -89.4 | 0 | 0 | 0 | 109.3 | S80 | S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 WeakPolarHBondContact O-CD2 3.31Å; S80-Y82 PolarHBondContact O-N 3.18Å |
| 83 | N | 27.1 | Very low | 22.8 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -114.5 | 86.6 | 146.3 | -88.5 | -17.3 | 0 | 0 | 0 | 105.4 | N81 Q85 | N81-N83 PolarHBondContact O-N 2.9Å; N83-Q85 VanDerWaalsContact C-N 3.3Å; N83-Q85 PolarHBondContact O-N 3.11Å |
| 84 | S | 22.7 | Very low | 22.8 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -47.4 | 92 | 167.1 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 85 | Q | 22.5 | Very low | 22.8 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | | | trans | -83.3 | 132 | 148.5 | -76.7 | -153.8 | -18.7 | 0 | 0 | 107.9 | N83 V87 | N83-Q85 VanDerWaalsContact C-N 3.3Å; N83-Q85 PolarHBondContact O-N 3.11Å; Q85-V87 PolarHBondContact O-N 3.26Å |
| 86 | P | 21.9 | Very low | 22.9 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -74.6 | 95.4 | -179 | 29.9 | -31.5 | 0 | 0 | 0 | 108.7 | | |
| 87 | V | 24.2 | Very low | 23 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -90.2 | 112.8 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | Q85 | Q85-V87 PolarHBondContact O-N 3.26Š|
| 88 | V | 22.6 | Very low | 22.9 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -35.5 | 140.2 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 113.1 | T90 | V88-T90 PolarHBondContact O-N 3.23Å; V88-T90 VanDerWaalsContact O-N 3.1Å |
| 89 | S | 21.3 | Very low | 23.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -64.9 | 102.3 | -177.5 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 90 | T | 24.7 | Very low | 23.1 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | | | trans | -100.2 | 101.9 | 162 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | V88 Y92 | V88-T90 PolarHBondContact O-N 3.23Å; V88-T90 VanDerWaalsContact O-N 3.1Å; T90-Y92 PolarHBondContact O-N 3.07Å |
| 91 | G | 18.9 | Very low | 23.2 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -60.7 | 114.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 92 | Y | 23.6 | Very low | 23.1 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -131 | 101.7 | 158 | -79.4 | -78.7 | 0 | 0 | 0 | 107.9 | T90 S94 | T90-Y92 PolarHBondContact O-N 3.07Å; Y92-S94 PolarHBondContact O-N 3.03Å |
| 93 | S | 22.1 | Very low | 23.2 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -63.2 | 121.1 | 164.6 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 94 | S | 25.5 | Very low | 23 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -150.6 | 116.8 | 160.1 | -81.8 | 0 | 0 | 0 | 0 | 110.1 | Y92 S96 | Y92-S94 PolarHBondContact O-N 3.03Å; S94-S96 PolarHBondContact O-N 2.71Å |
| 95 | P | 23.9 | Very low | 23.1 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -82.3 | 113.8 | -176.5 | 32.4 | -30.6 | 0 | 0 | 0 | 109.5 | | |
| 96 | S | 25 | Very low | 23.2 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | | | trans | -104.3 | 108.5 | 170.9 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | S94 Y98 | S94-S96 PolarHBondContact O-N 2.71Å; S96-Y98 PolarHBondContact O-N 3.44Å |
| 97 | S | 23.4 | Very low | 23.3 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -66.9 | 86 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 98 | Y | 21.5 | Very low | 23.2 | Very low | 215 Ų | 215 | 139.9 Ų | 139.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -84.6 | 118.9 | 169.2 | -110.3 | -95.5 | 0 | 0 | 0 | 110.6 | S96 N100 | S96-Y98 PolarHBondContact O-N 3.44Å; Y98-N100 PolarHBondContact O-N 3.42Å |
| 99 | K | 24.7 | Very low | 23.3 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -56.2 | 124.5 | -179.7 | -76.6 | 172 | 172.5 | 173.8 | 0 | 111 | Y101 | K99-Y101 PolarHBondContact O-N 3.45Š|
| 100 | N | 22.3 | Very low | 23.5 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -55 | 103.6 | 167.1 | -90.2 | -28 | 0 | 0 | 0 | 110.2 | Y98 G102 | Y98-N100 PolarHBondContact O-N 3.42Å; N100-G102 PolarHBondContact O-N 3.5Å |
| 101 | Y | 23.1 | Very low | 23.5 | Very low | 204 Ų | 204 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -82.6 | 105.2 | 160.4 | -83.2 | -88.7 | 0 | 0 | 0 | 107.7 | K99 N103 | K99-Y101 PolarHBondContact O-N 3.45Å; Y101-N103 PolarHBondContact O-N 3.28Å |
| 102 | G | 22.4 | Very low | 23.9 | Very low | 74 Ų | 74 | 148.4 Ų | 148.4 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -64.9 | 99.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N100 N104 | N100-G102 PolarHBondContact O-N 3.5Å; G102-N104 PolarHBondContact O-N 2.92Å |
| 103 | N | 24.6 | Very low | 24 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | | | trans | -71.2 | 97.4 | 169.4 | -87.5 | -18.2 | 0 | 0 | 0 | 108.6 | Y101 Y105 | Y101-N103 PolarHBondContact O-N 3.28Å; N103-Y105 HydrophobicContact CB-CD2 3.83Å; N103-Y105 HydrophobicContact CB-CE2 3.76Å; N103-Y105 PolarHBondContact O-N 3.37Å |
| 104 | N | 23 | Very low | 24.2 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -74.2 | 70.4 | 177.8 | -147 | 12.3 | 0 | 0 | 0 | 109.5 | G102 N106 | G102-N104 PolarHBondContact O-N 2.92Å; N104-N106 PolarHBondContact O-N 3.05Å |
| 105 | Y | 25 | Very low | 24.5 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 70% | 0.698 | 79% | 0.791 | S | S | * | * | | | trans | -80.5 | 97.7 | 168.1 | -74.8 | -77.2 | 0 | 0 | 0 | 108.1 | N103 N107 | N103-Y105 HydrophobicContact CB-CD2 3.83Å; N103-Y105 HydrophobicContact CB-CE2 3.76Å; N103-Y105 PolarHBondContact O-N 3.37Å; Y105-N107 PolarHBondContact O-N 3.42Å |
| 106 | N | 22.9 | Very low | 24.8 | Very low | 141 Ų | 141 | 160.4 Ų | 160.4 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | -62.3 | 87.9 | 163.3 | -73.8 | -23 | 0 | 0 | 0 | 108.2 | N104 E108 | N104-N106 PolarHBondContact O-N 3.05Å; N106-E108 PolarHBondContact O-N 3.39Å |
| 107 | N | 23.8 | Very low | 25 | Very low | 135 Ų | 135 | 159.2 Ų | 159.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 93.6 | 167.7 | -75.5 | -20.6 | 0 | 0 | 0 | 107.6 | Y105 I109 | Y105-N107 PolarHBondContact O-N 3.42Å; N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 3.4Å |
| 108 | E | 22.2 | Very low | 25.6 | Very low | 176 Ų | 176 | 160 Ų | 160 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -64 | 96.8 | 162.1 | -86 | -173.6 | 155.7 | 0 | 0 | 108.3 | N106 L110 | N106-E108 PolarHBondContact O-N 3.39Å; E108-L110 PolarHBondContact O-N 3.13Å |
| 109 | I | 25 | Very low | 26 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -67.5 | 97.8 | 170 | -62 | 169.2 | 0 | 0 | 0 | 106.5 | N107 K111 | N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 3.4Å; I109-K111 VanDerWaalsContact C-N 3.32Å; I109-K111 PolarHBondContact O-N 3.25Å |
| 110 | L | 25.4 | Very low | 26.3 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -63.7 | 93.6 | 169.7 | -70.6 | 168.9 | 0 | 0 | 0 | 108.6 | E108 S112 | E108-L110 PolarHBondContact O-N 3.13Å; L110-S112 PolarHBondContact O-N 3.13Å |
| 111 | K | 25.8 | Very low | 26.6 | Very low | 193 Ų | 193 | 156.4 Ų | 156.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -64.3 | 99.1 | 170.4 | -75.2 | -179.7 | 178.1 | 176.4 | 0 | 108.5 | I109 E113 | I109-K111 VanDerWaalsContact C-N 3.32Å; I109-K111 PolarHBondContact O-N 3.25Å; K111-E113 PolarHBondContact O-N 3.05Å; K111-E113 VanDerWaalsContact O-N 3.11Å |
| 112 | S | 26.4 | Very low | 26.8 | Very low | 102 Ų | 102 | 156.9 Ų | 156.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -72 | 101.7 | 168.3 | 65.1 | 0 | 0 | 0 | 0 | 108.9 | L110 R114 | L110-S112 PolarHBondContact O-N 3.13Å; S112-R114 PolarHBondContact O-N 2.92Å |
| 113 | E | 25.7 | Very low | 27.1 | Very low | 185 Ų | 185 | 160.1 Ų | 160.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -61.5 | 100.1 | 165.9 | -76.1 | -176.1 | 158.3 | 0 | 0 | 108.9 | K111 K115 | K111-E113 PolarHBondContact O-N 3.05Å; K111-E113 VanDerWaalsContact O-N 3.11Å; E113-K115 PolarHBondContact O-N 3.04Å |
| 114 | R | 27.1 | Very low | 27.4 | Very low | 234 Ų | 234 | 165.1 Ų | 165.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -64.8 | 100.2 | 166.8 | -82.9 | -178.4 | 172.7 | 171 | -2.1 | 107.7 | S112 K116 | S112-R114 PolarHBondContact O-N 2.92Å; R114-K116 PolarHBondContact O-N 3.31Å; R114-K116 VanDerWaalsContact O-N 3.11Å |
| 115 | K | 30.7 | Very low | 27.8 | Very low | 201 Ų | 201 | 164.5 Ų | 164.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -55.1 | 117.5 | 164.8 | -74.6 | -173.1 | 176 | -178 | 0 | 107.9 | E113 G117 | E113-K115 PolarHBondContact O-N 3.04Å; K115-G117 PolarHBondContact O-N 3.31Å |
| 116 | K | 30.9 | Very low | 28.1 | Very low | 201 Ų | 201 | 162.2 Ų | 162.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -51.3 | 102 | 172.3 | -78.3 | 175.2 | 172.1 | 177.7 | 0 | 108.5 | R114 N118 | R114-K116 PolarHBondContact O-N 3.31Å; R114-K116 VanDerWaalsContact O-N 3.11Å; K116-N118 PolarHBondContact O-N 2.83Å |
| 117 | G | 28.5 | Very low | 28.5 | Very low | 70 Ų | 70 | 162.2 Ų | 162.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -70 | 120.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108 | K115 S119 | K115-G117 PolarHBondContact O-N 3.31Å; G117-S119 PolarHBondContact O-N 2.98Å |
| 118 | N | 35.9 | Very low | 28.8 | Very low | 132 Ų | 132 | 162.6 Ų | 162.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -54.1 | 105.4 | 175.9 | -69 | -14.2 | 0 | 0 | 0 | 109.5 | K116 Y120 | K116-N118 PolarHBondContact O-N 2.83Å; N118-Y120 HydrophobicContact CB-CE2 4.42Å; N118-Y120 PolarHBondContact O-N 2.85Å |
| 119 | S | 30.7 | Very low | 29.2 | Very low | 85 Ų | 85 | 163.5 Ų | 163.5 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | | | trans | -71.8 | 106.6 | 168.8 | 59.3 | 0 | 0 | 0 | 0 | 107.7 | G117 Y121 | G117-S119 PolarHBondContact O-N 2.98Å; S119-Y121 PolarHBondContact O-N 3.25Å |
| 120 | Y | 30.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 163.8 Ų | 163.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | -68.3 | 99.7 | 167.3 | -73.7 | -89.5 | 0 | 0 | 0 | 108 | N118 Y122 | N118-Y120 HydrophobicContact CB-CE2 4.42Å; N118-Y120 PolarHBondContact O-N 2.85Å; Y120-Y122 PolarHBondContact O-N 3.17Å |
| 121 | Y | 28.1 | Very low | 29.6 | Very low | 205 Ų | 205 | 161.6 Ų | 161.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -65.6 | 108.9 | 167.6 | -87.5 | -100 | 0 | 0 | 0 | 108 | S119 D123 | S119-Y121 PolarHBondContact O-N 3.25Å; Y121-D123 PolarHBondContact O-N 3.2Å |
| 122 | Y | 28.4 | Very low | 29.8 | Very low | 213 Ų | 213 | 157.7 Ų | 157.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -85.4 | 101.9 | 158.6 | -84.8 | -80.9 | 0 | 0 | 0 | 107.6 | Y120 R124 | Y120-Y122 PolarHBondContact O-N 3.17Å; Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.35Å |
| 123 | D | 28.1 | Very low | 29.9 | Very low | 143 Ų | 143 | 158 Ų | 158 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | | | trans | -63.8 | 91.1 | 169.9 | -131 | -14.9 | 0 | 0 | 0 | 108.3 | Y121 N125 | Y121-D123 PolarHBondContact O-N 3.2Å; D123-N125 VanDerWaalsContact C-N 3.32Å; D123-N125 PolarHBondContact O-N 3.4Å |
| 124 | R | 30.9 | Very low | 30.1 | Very low | 231 Ų | 231 | 154.6 Ų | 154.6 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | -84.5 | 88.5 | 167.4 | -89 | -172.5 | -179.3 | 176.1 | 1 | 107.4 | Y122 T126 | Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.35Å; R124-T126 PolarHBondContact O-N 2.87Å |
| 125 | N | 31.7 | Very low | 30 | Very low | 132 Ų | 132 | 151.6 Ų | 151.6 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -36 | 111.2 | 166.9 | -79.7 | -24 | 0 | 0 | 0 | 111.2 | D123 N127 | D123-N125 VanDerWaalsContact C-N 3.32Å; D123-N125 PolarHBondContact O-N 3.4Å; N125-N127 PolarHBondContact O-N 3.44Å; N125-N127 VanDerWaalsContact O-N 3.1Å |
| 126 | T | 31.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -67.4 | 89.6 | 163.5 | 39.6 | 0 | 0 | 0 | 0 | 108.6 | R124 | R124-T126 PolarHBondContact O-N 2.87Š|
| 127 | N | 31.3 | Very low | 30.1 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -111 | 96.1 | 163.5 | -81.9 | -13.7 | 0 | 0 | 0 | 108.5 | N125 | N125-N127 PolarHBondContact O-N 3.44Å; N125-N127 VanDerWaalsContact O-N 3.1Å |
| 128 | D | 28.8 | Very low | 30.2 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | 15.8 | 114.9 | 136.8 | -62.2 | -30.9 | 0 | 0 | 0 | 116.7 | | |
| 129 | K | 31.8 | Very low | 30 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | | 179.3 | 101.3 | 118.3 | -93.5 | 160.9 | -169.5 | -175.4 | 0 | 108.6 | S131 | K129-S131 PolarHBondContact O-N 3.35Š|
| 130 | T | 28.4 | Very low | 30.1 | Very low | 150 Ų | 150 | 155.5 Ų | 155.5 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | | | trans | -54.1 | 104.2 | 158.4 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 131 | S | 29.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 157.7 Ų | 157.7 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -89.7 | 137.1 | 160.4 | 53 | 0 | 0 | 0 | 0 | 109.3 | K129 | K129-S131 PolarHBondContact O-N 3.35Š|
| 132 | S | 30 | Very low | 30.2 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -54.8 | 141.9 | -169.7 | 29.3 | 0 | 0 | 0 | 0 | 114.4 | S134 | S132-S134 PolarHBondContact O-N 3.22Š|
| 133 | A | 29.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | | | trans | -52.2 | 94.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H135 | A133-H135 PolarHBondContact O-N 3.27Š|
| 134 | S | 28.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -81 | 118.5 | 168.1 | 64 | 0 | 0 | 0 | 0 | 108.4 | S132 | S132-S134 PolarHBondContact O-N 3.22Š|
| 135 | H | 26.5 | Very low | 31.1 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -15.9 | 127.9 | 165.4 | -105.9 | -73.6 | 0 | 0 | 0 | 116 | A133 D137 | A133-H135 PolarHBondContact O-N 3.27Å; H135-D137 PolarHBondContact O-N 3.21Å |
| 136 | K | 33.3 | Very low | 31.2 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | | | trans | -61.5 | 100.4 | 161.3 | -69.5 | 176.9 | 175.9 | 179.1 | 0 | 108.5 | D138 | K136-D138 PolarHBondContact O-N 2.87Š|
| 137 | D | 30.4 | Very low | 31.3 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -84.8 | 102.3 | 162.6 | -87 | -28.6 | 0 | 0 | 0 | 108.2 | H135 R139 | H135-D137 PolarHBondContact O-N 3.21Å; D137-R139 PolarHBondContact O-N 3.43Å |
| 138 | D | 30.5 | Very low | 31.4 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -71.2 | 60.5 | 174.1 | -73.3 | -34.7 | 0 | 0 | 0 | 111.4 | K136 | K136-D138 PolarHBondContact O-N 2.87Š|
| 139 | R | 30.8 | Very low | 31.7 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | -109.2 | 103.4 | 177 | -73.7 | -173.4 | -178.6 | 179.1 | 3.2 | 111.9 | D137 | D137-R139 PolarHBondContact O-N 3.43Š|
| 140 | S | 33.9 | Very low | 32.2 | Very low | 80 Ų | 80 | 151 Ų | 151 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | | | trans | 62 | 91.2 | 134.5 | -173.2 | 0 | 0 | 0 | 0 | 116.1 | N142 | S140-N142 PolarHBondContact O-N 2.92Å; S140-N142 VanDerWaalsContact OG-CG 3.31Å; S140-N142 PolarHBondContact OG-ND2 3.27Å; S140-N142 PolarHBondContact OG-OD1 3.4Å |
| 141 | Y | 29.1 | Very low | 32.5 | Very low | 241 Ų | 241 | 153.2 Ų | 153.2 | 95% | 0.945 | 77% | 0.773 | S | S | * | * | | | trans | -53.1 | 86.2 | 151.3 | -102.4 | -97.6 | 0 | 0 | 0 | 109.5 | | |
| 142 | N | 31.3 | Very low | 32.8 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | trans | -103.2 | 104 | 170.4 | -96.3 | -13.2 | 0 | 0 | 0 | 108.6 | S140 D144 | S140-N142 PolarHBondContact O-N 2.92Å; S140-N142 VanDerWaalsContact OG-CG 3.31Å; S140-N142 PolarHBondContact OG-ND2 3.27Å; S140-N142 PolarHBondContact OG-OD1 3.4Å; N142-D144 PolarHBondContact O-N 2.96Å |
| 143 | N | 34.6 | Very low | 33.1 | Very low | 144 Ų | 144 | 156.9 Ų | 156.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 36.1 | 80 | 152 | -87 | -11.5 | 0 | 0 | 0 | 116 | N145 | N143-N145 PolarHBondContact O-N 2.8Š|
| 144 | D | 36.7 | Very low | 33.5 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | | | trans | -68.5 | 89.1 | 158.7 | -72 | -39.2 | 0 | 0 | 0 | 109.1 | N142 Y146 | N142-D144 PolarHBondContact O-N 2.96Å; D144-Y146 HydrophobicContact CB-CD2 3.68Å; D144-Y146 HydrophobicContact CB-CE2 3.33Å; D144-Y146 HydrophobicContact CB-CG 4.44Å; D144-Y146 PolarHBondContact O-N 3.35Å |
| 145 | N | 34 | Very low | 33.7 | Very low | 148 Ų | 148 | 160.8 Ų | 160.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -60.3 | 80.2 | 155.5 | -81.7 | -35.4 | 0 | 0 | 0 | 107.9 | N143 R147 | N143-N145 PolarHBondContact O-N 2.8Å; N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.31Å |
| 146 | Y | 35.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 162.6 Ų | 162.6 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | | | trans | -66.7 | 91.2 | 168.7 | -73.9 | -73.3 | 0 | 0 | 0 | 108.9 | D144 T148 | D144-Y146 HydrophobicContact CB-CD2 3.68Å; D144-Y146 HydrophobicContact CB-CE2 3.33Å; D144-Y146 HydrophobicContact CB-CG 4.44Å; D144-Y146 PolarHBondContact O-N 3.35Å; Y146-T148 PolarHBondContact O-N 3.36Å; Y146-T148 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 33.4 | Very low | 34.1 | Very low | 230 Ų | 230 | 158.4 Ų | 158.4 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | trans | -59.5 | 103.4 | 159.1 | -102.8 | -179.2 | 169.1 | -175.6 | -3.1 | 107.5 | N145 S149 | N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.31Å; R147-S149 PolarHBondContact O-N 3.23Å |
| 148 | T | 33.5 | Very low | 34.1 | Very low | 141 Ų | 141 | 161 Ų | 161 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | | | trans | -70.9 | 90.9 | 166 | 46 | 0 | 0 | 0 | 0 | 109 | Y146 | Y146-T148 PolarHBondContact O-N 3.36Å; Y146-T148 VanDerWaalsContact O-N 3.08Å |
| 149 | S | 35.4 | Very low | 34 | Very low | 79 Ų | 79 | 157.2 Ų | 157.2 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | trans | -139 | 79.7 | 171.6 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | R147 | R147-S149 PolarHBondContact O-N 3.23Š|
| 150 | Y | 40.5 | Very low | 34 | Very low | 220 Ų | 220 | 153.8 Ų | 153.8 | 86% | 0.863 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -139.3 | 10.9 | 169.8 | -120.5 | -81.4 | 0 | 0 | 0 | 114.7 | | |
| 151 | Y | 35.1 | Very low | 34 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -126.5 | 9.2 | -178.9 | -71.4 | -69.8 | 0 | 0 | 0 | 115.4 | I154 | Y151-I154 HydrophobicContact CD1-CD1 4.23Š|
| 152 | D | 36.8 | Very low | 34.1 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -8.3 | -178.1 | -75.2 | -20.4 | 0 | 0 | 0 | 114.6 | | |
| 153 | D | 35.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 153 Ų | 153 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 18 | -172.1 | -76.9 | -31.3 | 0 | 0 | 0 | 116.3 | K155 | D153-K155 PolarHBondContact O-N 3.11Š|
| 154 | I | 37.2 | Very low | 34 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | | | trans | -78.6 | 76.3 | 170.7 | -50.1 | 178.8 | 0 | 0 | 0 | 109 | Y151 Y156 | Y151-I154 HydrophobicContact CD1-CD1 4.23Å; I154-Y156 WeakPolarHBondContact O-CD2 3.21Å; I154-Y156 PolarHBondContact O-N 3Å |
| 155 | K | 34.5 | Very low | 33.7 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | trans | -62.7 | 105.1 | 161.6 | -74.2 | -176.6 | -178.7 | 175.7 | 0 | 107.4 | D153 A157 | D153-K155 PolarHBondContact O-N 3.11Å; K155-A157 PolarHBondContact O-N 2.82Å |
| 156 | Y | 36.5 | Very low | 33.7 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | -59.8 | 100.2 | 170.9 | -69.3 | -89.3 | 0 | 0 | 0 | 108.9 | I154 Q158 | I154-Y156 WeakPolarHBondContact O-CD2 3.21Å; I154-Y156 PolarHBondContact O-N 3Å; Y156-Q158 PolarHBondContact O-N 2.81Å; Y156-Q158 VanDerWaalsContact O-N 3.1Å |
| 157 | A | 31.4 | Very low | 33.6 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -63.2 | 110.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | K155 S159 | K155-A157 PolarHBondContact O-N 2.82Å; A157-S159 PolarHBondContact O-N 2.75Å |
| 158 | Q | 30.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -59.2 | 120.9 | 172 | -91.9 | 174.2 | -39.9 | 0 | 0 | 108.1 | Y156 D160 | Y156-Q158 PolarHBondContact O-N 2.81Å; Y156-Q158 VanDerWaalsContact O-N 3.1Å; Q158-D160 PolarHBondContact O-N 3.37Å; Q158-D160 VanDerWaalsContact O-N 3.1Å |
| 159 | S | 28.9 | Very low | 33.6 | Very low | 79 Ų | 79 | 152.7 Ų | 152.7 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | | | trans | -60.4 | 111 | 175 | 150.6 | 0 | 0 | 0 | 0 | 109.1 | A157 H161 | A157-S159 PolarHBondContact O-N 2.75Å; S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.38Å; S159-H161 PolarHBondContact OG-CE1 3.29Å |
| 160 | D | 28.9 | Very low | 33.5 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -60.5 | 97.4 | 165.2 | -74.7 | -31.4 | 0 | 0 | 0 | 108.5 | Q158 N162 | Q158-D160 PolarHBondContact O-N 3.37Å; Q158-D160 VanDerWaalsContact O-N 3.1Å; D160-N162 PolarHBondContact O-N 3.41Å |
| 161 | H | 34.6 | Very low | 33 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -72.3 | 77.8 | 170.1 | -75.2 | -55.1 | 0 | 0 | 0 | 108.5 | S159 T163 | S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.38Å; S159-H161 PolarHBondContact OG-CE1 3.29Å; H161-T163 PolarHBondContact O-N 3.3Å |
| 162 | N | 31.3 | Very low | 32.8 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -60.7 | 112.7 | 162 | -82.8 | -25.7 | 0 | 0 | 0 | 107.5 | D160 V164 | D160-N162 PolarHBondContact O-N 3.41Å; N162-V164 VanDerWaalsContact C-N 3.28Å; N162-V164 PolarHBondContact O-N 3.28Å |
| 163 | T | 31.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | trans | -60.3 | 89.3 | 175.6 | -37.3 | 0 | 0 | 0 | 0 | 108.3 | H161 N165 | H161-T163 PolarHBondContact O-N 3.3Å; T163-N165 PolarHBondContact O-N 3.45Å |
| 164 | V | 32.4 | Very low | 32.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 67% | 0.673 | 76% | 0.763 | S | S | * | * | | | trans | -67.8 | 105.8 | 177 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | N162 K166 | N162-V164 VanDerWaalsContact C-N 3.28Å; N162-V164 PolarHBondContact O-N 3.28Å; V164-K166 HydrophobicContact CG1-CG 4.23Å; V164-K166 PolarHBondContact O-N 3.42Å |
| 165 | N | 31.3 | Very low | 32 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | trans | -58.7 | 83.8 | 167.5 | -84 | -23.7 | 0 | 0 | 0 | 108.9 | T163 K167 | T163-N165 PolarHBondContact O-N 3.45Å; N165-K167 PolarHBondContact O-N 3.23Å |
| 166 | K | 34.3 | Very low | 31.8 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -69.1 | 96.2 | 175.2 | -76 | -173.7 | 178 | -179.7 | 0 | 108.2 | V164 K168 | V164-K166 HydrophobicContact CG1-CG 4.23Å; V164-K166 PolarHBondContact O-N 3.42Å; K166-K168 PolarHBondContact O-N 3.48Å |
| 167 | K | 32.4 | Very low | 31.6 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -49.1 | 130.7 | 161.1 | -73.8 | -178.7 | 175.8 | 178.8 | 0 | 107.9 | N165 S169 | N165-K167 PolarHBondContact O-N 3.23Å; K167-S169 PolarHBondContact O-N 2.9Å |
| 168 | K | 34.2 | Very low | 31.7 | Very low | 206 Ų | 206 | 149.4 Ų | 149.4 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | trans | -50.8 | 99.7 | 176.6 | -78.9 | 175.2 | 173.9 | 175 | 0 | 109.1 | K166 N170 | K166-K168 PolarHBondContact O-N 3.48Å; K168-N170 PolarHBondContact O-N 3.28Å |
| 169 | S | 32.3 | Very low | 31.7 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -76.8 | 120.2 | 165.5 | 48.5 | 0 | 0 | 0 | 0 | 107.2 | K167 S171 | K167-S169 PolarHBondContact O-N 2.9Å; S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 2.89Å |
| 170 | N | 33.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -64.4 | 93.1 | 168 | -73.4 | -19.8 | 0 | 0 | 0 | 106.8 | K168 I172 | K168-N170 PolarHBondContact O-N 3.28Å; N170-I172 PolarHBondContact O-N 3.19Å |
| 171 | S | 31.1 | Very low | 31.6 | Very low | 82 Ų | 82 | 150.7 Ų | 150.7 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | | | trans | -67.8 | 112.6 | 179.9 | 94.5 | 0 | 0 | 0 | 0 | 107.5 | S169 Y173 | S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 2.89Å; S171-Y173 PolarHBondContact O-N 3.27Å |
| 172 | I | 30 | Very low | 31.5 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -73.7 | 46.1 | 169.3 | -48.6 | 165.5 | 0 | 0 | 0 | 108.1 | N170 S174 | N170-I172 PolarHBondContact O-N 3.19Å; I172-S174 PolarHBondContact O-N 3.33Å |
| 173 | Y | 28.2 | Very low | 31.5 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 93.7 | 163.9 | -89.6 | -87.4 | 0 | 0 | 0 | 105.2 | S171 K175 | S171-Y173 PolarHBondContact O-N 3.27Å; Y173-K175 PolarHBondContact O-N 3Å |
| 174 | S | 31.6 | Very low | 31.6 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -40.5 | 112.8 | 155.5 | 40.1 | 0 | 0 | 0 | 0 | 106.5 | I172 S176 | I172-S174 PolarHBondContact O-N 3.33Å; S174-S176 PolarHBondContact O-N 2.79Å |
| 175 | K | 33.7 | Very low | 31.6 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | -54.9 | 95.9 | 167.9 | -85.9 | 174.8 | 174.1 | 173.2 | 0 | 105.2 | Y173 N177 | Y173-K175 PolarHBondContact O-N 3Å; K175-N177 PolarHBondContact O-N 3.09Å |
| 176 | S | 29.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -58.4 | 113.4 | 166.2 | 45.3 | 0 | 0 | 0 | 0 | 104.1 | S174 Y178 | S174-S176 PolarHBondContact O-N 2.79Å; S176-Y178 PolarHBondContact O-N 3.19Å |
| 177 | N | 33.2 | Very low | 31.6 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -66.8 | 71.6 | 170.9 | -80.9 | -27.9 | 0 | 0 | 0 | 106.8 | K175 K179 | K175-N177 PolarHBondContact O-N 3.09Å; N177-K179 PolarHBondContact O-N 2.73Å |
| 178 | Y | 32.9 | Very low | 31.4 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | | | trans | -72.5 | 85.2 | 171.1 | -162 | -92.1 | 0 | 0 | 0 | 106.1 | S176 M180 | S176-Y178 PolarHBondContact O-N 3.19Å; Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.29Å |
| 179 | K | 29.9 | Very low | 31.1 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | | | trans | -65.8 | 101.8 | 163.6 | -81.9 | -175.4 | 174.6 | -177.6 | 0 | 105.6 | N177 | N177-K179 PolarHBondContact O-N 2.73Š|
| 180 | M | 27.3 | Very low | 31.2 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | trans | -47.3 | 127 | 163.7 | -122.9 | -174.6 | 119.5 | 0 | 0 | 106.8 | Y178 E182 | Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.29Å; M180-E182 PolarHBondContact O-N 3.34Å |
| 181 | P | 29.9 | Very low | 31.1 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | | | trans | -55 | 119.9 | 175.3 | 20 | -29.2 | 0 | 0 | 0 | 107.5 | V183 | P181-V183 VanDerWaalsContact C-N 3.27Å; P181-V183 PolarHBondContact O-N 3.37Å |
| 182 | E | 32.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | | | trans | -60.4 | 100 | 169.6 | -79.8 | -178.1 | 165.9 | 0 | 0 | 106.1 | M180 S184 | M180-E182 PolarHBondContact O-N 3.34Å; E182-S184 PolarHBondContact O-N 3.24Å |
| 183 | V | 31.8 | Very low | 31.2 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | | | trans | -69.3 | 88.3 | 171.6 | -173 | 0 | 0 | 0 | 0 | 105.1 | P181 N185 Y188 | P181-V183 VanDerWaalsContact C-N 3.27Å; P181-V183 PolarHBondContact O-N 3.37Å; V183-N185 HydrophobicContact CG1-CB 4.38Å; V183-N185 PolarHBondContact O-N 3.35Å; V183-Y188 HydrophobicContact CG1-CD2 4.43Å |
| 184 | S | 31.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | -64.1 | -2.2 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | E182 P186 | E182-S184 PolarHBondContact O-N 3.24Å; S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.5Å |
| 185 | N | 32.5 | Very low | 31.1 | Very low | 85 Ų | 85 | 151.5 Ų | 151.5 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | | | trans | -99.2 | 104.3 | 177.7 | -160.6 | -21.1 | 0 | 0 | 0 | 110.8 | V183 H187 Y188 | V183-N185 HydrophobicContact CG1-CB 4.38Å; V183-N185 PolarHBondContact O-N 3.35Å; N185-H187 PolarHBondContact O-N 2.96Å; N185-H187 PolarHBondContact OD1-N 2.71Å; N185-Y188 PolarHBondContact O-N 3.11Å |
| 186 | P | 33.1 | Very low | 31 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -59.5 | -16 | -177.9 | 21.9 | -31.7 | 0 | 0 | 0 | 113.5 | S184 Y188 R189 | S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.5Å; P186-Y188 PolarHBondContact O-N 2.95Å; P186-R189 PolarHBondContact O-N 3.3Å |
| 187 | H | 32.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 148 Ų | 148 | 64% | 0.644 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -65.8 | -19.9 | -178.8 | -115.1 | -2.7 | 0 | 0 | 0 | 115.4 | N185 | N185-H187 PolarHBondContact O-N 2.96Å; N185-H187 PolarHBondContact OD1-N 2.71Å |
| 188 | Y | 28.5 | Very low | 30.7 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 57% | 0.565 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -87.7 | -17.7 | 178.6 | -83.2 | -81.5 | 0 | 0 | 0 | 113.9 | V183 N185 P186 | V183-Y188 HydrophobicContact CG1-CD2 4.43Å; N185-Y188 PolarHBondContact O-N 3.11Å; P186-Y188 PolarHBondContact O-N 2.95Å |
| 189 | R | 27.4 | Very low | 30.6 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -37.6 | 179.6 | -93.3 | -163.1 | 171 | -173.8 | -0.2 | 113.4 | P186 R191 | P186-R189 PolarHBondContact O-N 3.3Å; R189-R191 VanDerWaalsContact C-N 3.25Å; R189-R191 PolarHBondContact O-N 3.27Å |
| 190 | D | 35.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -73.8 | -17.3 | -174.6 | -73.1 | -13.2 | 0 | 0 | 0 | 113.7 | | |
| 191 | R | 30.9 | Very low | 30.4 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -79.7 | -18.6 | -175.9 | -116.4 | -176.5 | -87.5 | -168.6 | -4.5 | 114.1 | R189 | R189-R191 VanDerWaalsContact C-N 3.25Å; R189-R191 PolarHBondContact O-N 3.27Å |
| 192 | L | 32.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -88.3 | -10.9 | -175.9 | -78.3 | 165.4 | 0 | 0 | 0 | 114.8 | | |
| 193 | H | 30.5 | Very low | 30.3 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -113.6 | 7.5 | -171.8 | -67.6 | -60.5 | 0 | 0 | 0 | 115.8 | E195 | H193-E195 VanDerWaalsContact C-N 3.3Å; H193-E195 PolarHBondContact O-N 3.17Å; H193-E195 VanDerWaalsContact O-N 3.13Å |
| 194 | R | 29.9 | Very low | 30.3 | Very low | 230 Ų | 230 | 154.5 Ų | 154.5 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | | | trans | -91.8 | 66.9 | 178.8 | -139.5 | 177.9 | -166.3 | -167.1 | 4.6 | 110.9 | | |
| 195 | E | 28.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 156.5 Ų | 156.5 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -60.1 | 133 | 165.1 | -77.7 | -176.2 | 165.2 | 0 | 0 | 109.2 | H193 T197 | H193-E195 VanDerWaalsContact C-N 3.3Å; H193-E195 PolarHBondContact O-N 3.17Å; H193-E195 VanDerWaalsContact O-N 3.13Å; E195-T197 PolarHBondContact O-N 3.19Å |
| 196 | P | 30.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 162.1 Ų | 162.1 | 58% | 0.584 | 75% | 0.754 | S | S | * | * | | | trans | -65.2 | 103.6 | -179.8 | 25.1 | -31.6 | 0 | 0 | 0 | 109.4 | Y198 | P196-Y198 VanDerWaalsContact C-N 3.3Å; P196-Y198 HydrophobicContact CB-CD2 4.36Å; P196-Y198 HydrophobicContact CB-CE2 3.95Å; P196-Y198 HydrophobicContact CG-CD2 4.49Å; P196-Y198 HydrophobicContact CG-CE2 3.81Å; P196-Y198 WeakPolarHBondContact O-CD2 3.32Å; P196-Y198 PolarHBondContact O-N 3.48Å |
| 197 | T | 28.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 165.3 Ų | 165.3 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -70.8 | 90.2 | 167.5 | 31.7 | 0 | 0 | 0 | 0 | 108.1 | E195 K199 | E195-T197 PolarHBondContact O-N 3.19Å; T197-K199 PolarHBondContact O-N 3.42Å |
| 198 | Y | 28.9 | Very low | 30.2 | Very low | 201 Ų | 201 | 167.5 Ų | 167.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 97.1 | 169.6 | -68.9 | -82.7 | 0 | 0 | 0 | 108.6 | P196 Y200 | P196-Y198 VanDerWaalsContact C-N 3.3Å; P196-Y198 HydrophobicContact CB-CD2 4.36Å; P196-Y198 HydrophobicContact CB-CE2 3.95Å; P196-Y198 HydrophobicContact CG-CD2 4.49Å; P196-Y198 HydrophobicContact CG-CE2 3.81Å; P196-Y198 WeakPolarHBondContact O-CD2 3.32Å; P196-Y198 PolarHBondContact O-N 3.48Å; Y198-Y200 PolarHBondContact O-N 3.28Å |
| 199 | K | 29.8 | Very low | 30.3 | Very low | 192 Ų | 192 | 170.4 Ų | 170.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -71 | 96.9 | 164.9 | -79.9 | -175.3 | 177.2 | 179.6 | 0 | 107.4 | T197 R201 | T197-K199 PolarHBondContact O-N 3.42Å; K199-R201 PolarHBondContact O-N 3.44Å |
| 200 | Y | 26 | Very low | 30.6 | Very low | 221 Ų | 221 | 168.8 Ų | 168.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -58.6 | 101.1 | 165.3 | -123.5 | -94.8 | 0 | 0 | 0 | 107.7 | Y198 A202 | Y198-Y200 PolarHBondContact O-N 3.28Å; Y200-A202 PolarHBondContact O-N 2.82Å |
| 201 | R | 26.3 | Very low | 30.2 | Very low | 232 Ų | 232 | 166.4 Ų | 166.4 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | trans | -77.3 | 97.9 | 159.8 | -83.1 | -173.5 | 174.8 | -177.1 | -0.8 | 104.9 | K199 D203 | K199-R201 PolarHBondContact O-N 3.44Å; R201-D203 PolarHBondContact O-N 3.01Å; R201-D203 VanDerWaalsContact O-N 3.12Å |
| 202 | A | 28.2 | Very low | 30.2 | Very low | 73 Ų | 73 | 165.8 Ų | 165.8 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | | | trans | -57.6 | 118.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | Y200 V204 | Y200-A202 PolarHBondContact O-N 2.82Å; A202-V204 WeakPolarHBondContact O-CG2 3.41Å; A202-V204 PolarHBondContact O-N 2.93Å |
| 203 | D | 32.1 | Very low | 30 | Very low | 147 Ų | 147 | 166.6 Ų | 166.6 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -57.3 | 99.6 | 165.9 | -81.1 | -33.4 | 0 | 0 | 0 | 106.2 | R201 Q205 | R201-D203 PolarHBondContact O-N 3.01Å; R201-D203 VanDerWaalsContact O-N 3.12Å; D203-Q205 PolarHBondContact O-N 2.89Å |
| 204 | V | 31.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 163.4 Ų | 163.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -72.5 | 68 | 172.6 | -170.5 | 0 | 0 | 0 | 0 | 106.2 | A202 K206 | A202-V204 WeakPolarHBondContact O-CG2 3.41Å; A202-V204 PolarHBondContact O-N 2.93Å; V204-K206 PolarHBondContact O-N 2.95Å |
| 205 | Q | 28.7 | Very low | 30 | Very low | 161 Ų | 161 | 161.2 Ų | 161.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | trans | -58.8 | 119.8 | 155 | -71 | -166.8 | 2.5 | 0 | 0 | 105.3 | D203 L207 | D203-Q205 PolarHBondContact O-N 2.89Å; Q205-L207 PolarHBondContact O-N 2.83Å |
| 206 | K | 33.8 | Very low | 29.9 | Very low | 204 Ų | 204 | 162.2 Ų | 162.2 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -54 | 79.6 | -179.8 | -66.6 | 170.6 | 176.6 | 174.2 | 0 | 110.3 | V204 K208 | V204-K206 PolarHBondContact O-N 2.95Å; K206-K208 PolarHBondContact O-N 3.13Å |
| 207 | L | 34 | Very low | 29.7 | Very low | 170 Ų | 170 | 166.7 Ų | 166.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -70.7 | 105.1 | 167.1 | -85.4 | 163.9 | 0 | 0 | 0 | 106.4 | Q205 K209 | Q205-L207 PolarHBondContact O-N 2.83Å; L207-K209 PolarHBondContact O-N 3.47Å |
| 208 | K | 31.5 | Very low | 29.6 | Very low | 184 Ų | 184 | 166.2 Ų | 166.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -35.7 | 124.6 | 174.6 | -73.5 | 169.9 | 171.4 | 175.4 | 0 | 111.6 | K206 F210 | K206-K208 PolarHBondContact O-N 3.13Å; K208-F210 WeakPolarHBondContact O-CD2 3.45Å; K208-F210 PolarHBondContact O-N 3.43Å; K208-F210 VanDerWaalsContact O-N 3.13Å |
| 209 | K | 31.3 | Very low | 29.5 | Very low | 206 Ų | 206 | 161.9 Ų | 161.9 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | | | trans | 18.3 | 81.4 | 148.6 | -67.4 | -179 | 175.6 | -179.1 | 0 | 115.2 | L207 | L207-K209 PolarHBondContact O-N 3.47Š|
| 210 | F | 33.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 160.9 Ų | 160.9 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -122.5 | 111.1 | 148.5 | -78.8 | -79.4 | 0 | 0 | 0 | 106.8 | K208 Y212 | K208-F210 WeakPolarHBondContact O-CD2 3.45Å; K208-F210 PolarHBondContact O-N 3.43Å; K208-F210 VanDerWaalsContact O-N 3.13Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 HydrophobicContact CB-CD2 3.88Å; F210-Y212 HydrophobicContact CB-CE2 3.94Å; F210-Y212 PolarHBondContact O-N 3.24Å |
| 211 | G | 27.1 | Very low | 29.4 | Very low | 83 Ų | 83 | 155.4 Ų | 155.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -65.9 | 92.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 212 | Y | 30.5 | Very low | 29.4 | Very low | 174 Ų | 174 | 152 Ų | 152 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -116.6 | 98.7 | 168.6 | -78.1 | -84.1 | 0 | 0 | 0 | 107.6 | F210 D214 | F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 HydrophobicContact CB-CD2 3.88Å; F210-Y212 HydrophobicContact CB-CE2 3.94Å; F210-Y212 PolarHBondContact O-N 3.24Å; Y212-D214 PolarHBondContact O-N 3.37Å |
| 213 | N | 28.4 | Very low | 29.3 | Very low | 164 Ų | 164 | 159 Ų | 159 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -71.1 | 66.3 | 167.7 | -80.8 | -18.7 | 0 | 0 | 0 | 109.1 | Q215 | N213-Q215 PolarHBondContact O-N 2.95Š|
| 214 | D | 33.4 | Very low | 28.9 | Very low | 98 Ų | 98 | 160.9 Ų | 160.9 | 52% | 0.524 | 78% | 0.784 | S | S | . | * | | | trans | -90.9 | 86.9 | 173.1 | -71.4 | -19.6 | 0 | 0 | 0 | 108.3 | Y212 Y216 | Y212-D214 PolarHBondContact O-N 3.37Å; D214-Y216 HydrophobicContact CB-CD2 3.94Å; D214-Y216 HydrophobicContact CB-CE2 3.6Å; D214-Y216 WeakPolarHBondContact O-CD2 3.41Å; D214-Y216 PolarHBondContact O-N 2.92Å |
| 215 | Q | 27.2 | Very low | 28.8 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -61.7 | 85.3 | 162.1 | -77.7 | 180 | -27.4 | 0 | 0 | 108.5 | N213 Q217 | N213-Q215 PolarHBondContact O-N 2.95Å; Q215-Q217 PolarHBondContact O-N 2.72Å |
| 216 | Y | 26.4 | Very low | 28.7 | Very low | 189 Ų | 189 | 157.9 Ų | 157.9 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -68.1 | 93.8 | 168.6 | -77 | -86 | 0 | 0 | 0 | 109.2 | D214 V218 | D214-Y216 HydrophobicContact CB-CD2 3.94Å; D214-Y216 HydrophobicContact CB-CE2 3.6Å; D214-Y216 WeakPolarHBondContact O-CD2 3.41Å; D214-Y216 PolarHBondContact O-N 2.92Å; Y216-V218 PolarHBondContact O-N 2.75Å |
| 217 | Q | 26.6 | Very low | 28.5 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -70.3 | 84.7 | 159.5 | -77.4 | -173.2 | -2.9 | 0 | 0 | 108.3 | Q215 S219 | Q215-Q217 PolarHBondContact O-N 2.72Å; Q217-S219 PolarHBondContact O-N 2.64Å; Q217-S219 VanDerWaalsContact O-N 3.17Å |
| 218 | V | 26.3 | Very low | 28.5 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -73.7 | 104.7 | 165.5 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | Y216 K220 | Y216-V218 PolarHBondContact O-N 2.75Å; V218-K220 PolarHBondContact O-N 3.27Å |
| 219 | S | 26.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -58.7 | 105 | 170.3 | 43.2 | 0 | 0 | 0 | 0 | 108.5 | Q217 S221 | Q217-S219 PolarHBondContact O-N 2.64Å; Q217-S219 VanDerWaalsContact O-N 3.17Å; S219-S221 PolarHBondContact O-N 3.26Å |
| 220 | K | 27.4 | Very low | 28.2 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -60 | 105.3 | 167 | -81.7 | 179.2 | 176.3 | 175.7 | 0 | 107 | V218 F222 | V218-K220 PolarHBondContact O-N 3.27Å; K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 4.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.33Å; K220-F222 PolarHBondContact O-N 3.39Å |
| 221 | S | 26.8 | Very low | 28.1 | Very low | 107 Ų | 107 | 156.8 Ų | 156.8 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -63.9 | 99.5 | 162.1 | 40.7 | 0 | 0 | 0 | 0 | 107.1 | S219 Y223 | S219-S221 PolarHBondContact O-N 3.26Å; S221-Y223 VanDerWaalsContact C-N 3.35Å; S221-Y223 PolarHBondContact O-N 3.34Å |
| 222 | F | 26.7 | Very low | 28.1 | Very low | 160 Ų | 160 | 161.8 Ų | 161.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | -64 | 98.7 | 169.1 | -77.2 | -93.1 | 0 | 0 | 0 | 107.4 | K220 Y224 | K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 4.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.33Å; K220-F222 PolarHBondContact O-N 3.39Å; F222-Y224 VanDerWaalsContact C-N 3.31Å; F222-Y224 HydrophobicContact CB-CD2 4.2Å; F222-Y224 HydrophobicContact CB-CE2 3.93Å; F222-Y224 WeakPolarHBondContact O-CD2 3.42Å; F222-Y224 PolarHBondContact O-N 3.41Å |
| 223 | Y | 25.2 | Very low | 27.9 | Very low | 221 Ų | 221 | 161 Ų | 161 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -68.8 | 95.4 | 165.9 | -124.1 | -92.5 | 0 | 0 | 0 | 107 | S221 N225 | S221-Y223 VanDerWaalsContact C-N 3.35Å; S221-Y223 PolarHBondContact O-N 3.34Å; Y223-N225 PolarHBondContact O-N 3.32Å |
| 224 | Y | 24.8 | Very low | 28 | Very low | 186 Ų | 186 | 160.4 Ų | 160.4 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | | | trans | -66.8 | 99.6 | 167.8 | -77.9 | -90.8 | 0 | 0 | 0 | 107.6 | F222 D226 | F222-Y224 VanDerWaalsContact C-N 3.31Å; F222-Y224 HydrophobicContact CB-CD2 4.2Å; F222-Y224 HydrophobicContact CB-CE2 3.93Å; F222-Y224 WeakPolarHBondContact O-CD2 3.42Å; F222-Y224 PolarHBondContact O-N 3.41Å; Y224-D226 PolarHBondContact O-N 3.15Å |
| 225 | N | 28 | Very low | 27.7 | Very low | 113 Ų | 113 | 163.8 Ų | 163.8 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | | | trans | -86.1 | 90.2 | 166.2 | -162.9 | -9.6 | 0 | 0 | 0 | 107.1 | Y223 N227 | Y223-N225 PolarHBondContact O-N 3.32Å; N225-N227 PolarHBondContact O-N 2.67Å |
| 226 | D | 27.8 | Very low | 27.7 | Very low | 115 Ų | 115 | 163.9 Ų | 163.9 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -59.6 | -7.7 | -174 | -78.5 | -29.4 | 0 | 0 | 0 | 114.7 | Y224 L228 | Y224-D226 PolarHBondContact O-N 3.15Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.05Å |
| 227 | N | 29.6 | Very low | 27.9 | Very low | 145 Ų | 145 | 164.7 Ų | 164.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -77.6 | -6.9 | -175.3 | -68.9 | -29.8 | 0 | 0 | 0 | 115.1 | N225 | N225-N227 PolarHBondContact O-N 2.67Š|
| 228 | L | 33.3 | Very low | 28 | Very low | 155 Ų | 155 | 162 Ų | 162 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -92.8 | -1.1 | 177.5 | -84.1 | 163.2 | 0 | 0 | 0 | 114.6 | D226 K230 | D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.05Å; L228-K230 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact O-N 3.15Å |
| 229 | R | 26.7 | Very low | 28 | Very low | 231 Ų | 231 | 159.3 Ų | 159.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 3.1 | -174.6 | -121.2 | -179.4 | -170.9 | -174.7 | 2.3 | 116.1 | | |
| 230 | K | 30.5 | Very low | 27.8 | Very low | 182 Ų | 182 | 165.2 Ų | 165.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -6.9 | -172.9 | -83 | -170.4 | 175.9 | -177.7 | 0 | 117.6 | L228 | L228-K230 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact O-N 3.15Å |
| 231 | Y | 30.6 | Very low | 27.6 | Very low | 202 Ų | 202 | 165.9 Ų | 165.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -145 | 63.6 | -174.1 | -68.3 | -79.5 | 0 | 0 | 0 | 114.1 | | |
| 232 | H | 28.1 | Very low | 27.4 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -156.4 | 57 | 157.8 | -91.3 | -57.9 | 0 | 0 | 0 | 111.5 | | |
| 233 | N | 26.2 | Very low | 27.2 | Very low | 158 Ų | 158 | 163.5 Ų | 163.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -103 | 81.7 | 152.3 | -100.3 | 0.4 | 0 | 0 | 0 | 106.5 | | |
| 234 | N | 30.6 | Very low | 27.2 | Very low | 152 Ų | 152 | 161.8 Ų | 161.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -158.6 | 108.7 | 158.8 | -91.7 | -24.1 | 0 | 0 | 0 | 108.3 | K236 | N234-K236 PolarHBondContact O-N 2.81Š|
| 235 | N | 27.1 | Very low | 27.1 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | | | trans | -57.7 | 80.1 | -174.4 | -71.5 | -28.7 | 0 | 0 | 0 | 114.7 | | |
| 236 | K | 27.2 | Very low | 26.9 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -129.1 | 101.5 | 158.6 | -79.6 | -173 | 176.4 | 178.6 | 0 | 109.9 | N234 V238 | N234-K236 PolarHBondContact O-N 2.81Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 HydrophobicContact CB-CG2 4.43Å; K236-V238 PolarHBondContact O-N 3.04Å |
| 237 | Q | 29.1 | Very low | 26.9 | Very low | 206 Ų | 206 | 160.2 Ų | 160.2 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | | | trans | -56.3 | 93 | 160.5 | -77.2 | 176.2 | -19.8 | 0 | 0 | 108.2 | G239 | Q237-G239 PolarHBondContact O-N 3.24Š|
| 238 | V | 30 | Very low | 26.6 | Very low | 128 Ų | 128 | 161.2 Ų | 161.2 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -85.6 | 93 | 168.8 | -171.4 | 0 | 0 | 0 | 0 | 106.1 | K236 Y240 | K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 HydrophobicContact CB-CG2 4.43Å; K236-V238 PolarHBondContact O-N 3.04Å; V238-Y240 PolarHBondContact O-N 3.03Å |
| 239 | G | 25.1 | Very low | 26 | Very low | 63 Ų | 63 | 161.5 Ų | 161.5 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | trans | -54.9 | 124.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q237 Q241 | Q237-G239 PolarHBondContact O-N 3.24Å; G239-Q241 VanDerWaalsContact C-N 3.34Å; G239-Q241 PolarHBondContact O-N 2.93Å |
| 240 | Y | 23.1 | Very low | 25.9 | Very low | 234 Ų | 234 | 158.1 Ų | 158.1 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 88.8 | 178 | -137.5 | -92.8 | 0 | 0 | 0 | 108.7 | V238 S242 | V238-Y240 PolarHBondContact O-N 3.03Å; Y240-S242 PolarHBondContact O-N 2.87Å |
| 241 | Q | 22.2 | Very low | 25.6 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -75.7 | 109 | 170.6 | -86.6 | -172.4 | -27.7 | 0 | 0 | 109.2 | G239 S243 | G239-Q241 VanDerWaalsContact C-N 3.34Å; G239-Q241 PolarHBondContact O-N 2.93Å; Q241-S243 PolarHBondContact O-N 2.74Å |
| 242 | S | 23.5 | Very low | 25.3 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -66.8 | 95.3 | 166.8 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | Y240 K244 | Y240-S242 PolarHBondContact O-N 2.87Å; S242-K244 PolarHBondContact O-N 3.12Å |
| 243 | S | 23.4 | Very low | 25.1 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -71.1 | 98 | 171.3 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | Q241 S245 | Q241-S243 PolarHBondContact O-N 2.74Å; S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 2.8Å |
| 244 | K | 23.5 | Very low | 25 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -60.6 | 90.1 | 160.2 | -77.3 | 176.7 | 174.4 | 176.6 | 0 | 108 | S242 I246 | S242-K244 PolarHBondContact O-N 3.12Å; K244-I246 PolarHBondContact O-N 2.87Å; K244-I246 VanDerWaalsContact O-N 3.16Å |
| 245 | S | 24.1 | Very low | 24.7 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -74.4 | 103.7 | 171.2 | 52.1 | 0 | 0 | 0 | 0 | 109.3 | S243 N247 | S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 2.8Å; S245-N247 PolarHBondContact O-N 3.28Å |
| 246 | I | 24.3 | Very low | 24.6 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | | | trans | -84.4 | 18.8 | 176.3 | -65.4 | 166.9 | 0 | 0 | 0 | 111.4 | K244 H248 | K244-I246 PolarHBondContact O-N 2.87Å; K244-I246 VanDerWaalsContact O-N 3.16Å; I246-H248 PolarHBondContact O-N 3.34Å |
| 247 | N | 26 | Very low | 24.4 | Very low | 128 Ų | 128 | 153 Ų | 153 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | | | trans | -96.4 | 86.1 | 178.3 | -75.5 | -3.9 | 0 | 0 | 0 | 110.4 | S245 H249 | S245-N247 PolarHBondContact O-N 3.28Å; N247-H249 PolarHBondContact O-N 2.65Å |
| 248 | H | 23.2 | Very low | 24.3 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -60 | 84.8 | 156.7 | -76.4 | -78.5 | 0 | 0 | 0 | 108.6 | I246 H250 | I246-H248 PolarHBondContact O-N 3.34Å; H248-H250 PolarHBondContact O-CD2 2.97Å; H248-H250 PolarHBondContact O-N 3.4Å |
| 249 | H | 21.8 | Very low | 24.1 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | trans | -68.5 | 100.9 | 165 | -81.6 | -57.3 | 0 | 0 | 0 | 107.9 | N247 I251 | N247-H249 PolarHBondContact O-N 2.65Å; H249-I251 PolarHBondContact O-N 2.67Å; H249-I251 VanDerWaalsContact O-N 3.07Å |
| 250 | H | 23.8 | Very low | 24 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -53.4 | 110.5 | 167.8 | -75.7 | -91.6 | 0 | 0 | 0 | 109 | H248 N252 | H248-H250 PolarHBondContact O-CD2 2.97Å; H248-H250 PolarHBondContact O-N 3.4Å; H250-N252 PolarHBondContact O-N 3.18Å |
| 251 | I | 24.5 | Very low | 24.2 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | -74.9 | 66.9 | 173.7 | -54.6 | 165.5 | 0 | 0 | 0 | 107.5 | H249 | H249-I251 PolarHBondContact O-N 2.67Å; H249-I251 VanDerWaalsContact O-N 3.07Å |
| 252 | N | 25.2 | Very low | 24.4 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -117.1 | -1.4 | 179 | -94.9 | 5.5 | 0 | 0 | 0 | 114.6 | H250 | H250-N252 PolarHBondContact O-N 3.18Š|
| 253 | N | 24.1 | Very low | 24.6 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -109 | 9.3 | -175.7 | -82.3 | 2.3 | 0 | 0 | 0 | 116.2 | | |
| 254 | H | 23.3 | Very low | 24.8 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -99.9 | 3.5 | -175.4 | -81.8 | -65.3 | 0 | 0 | 0 | 116.4 | | |
| 255 | L | 24.1 | Very low | 25 | Very low | 151 Ų | 151 | 151 Ų | 151 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -87 | -15.8 | -175.9 | -92.4 | 160.8 | 0 | 0 | 0 | 115.6 | | |
| 256 | N | 25 | Very low | 25.2 | Very low | 156 Ų | 156 | 149 Ų | 149 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -90.1 | -5.6 | -173.6 | -73.4 | -2.6 | 0 | 0 | 0 | 115.5 | | |
| 257 | W | 23.8 | Very low | 25.5 | Very low | 222 Ų | 222 | 145.6 Ų | 145.6 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -91.9 | -14.4 | -176.2 | -162.5 | 59.1 | 0 | 0 | 0 | 114.4 | S259 | W257-S259 VanDerWaalsContact C-N 3.32Å; W257-S259 PolarHBondContact O-N 3.33Å |
| 258 | L | 26.5 | Very low | 25.6 | Very low | 150 Ų | 150 | 146 Ų | 146 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -4.7 | -176.2 | -77.1 | 165.3 | 0 | 0 | 0 | 114.5 | | |
| 259 | S | 25.4 | Very low | 25.7 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -6.7 | -174.2 | -161.3 | 0 | 0 | 0 | 0 | 115.1 | W257 | W257-S259 VanDerWaalsContact C-N 3.32Å; W257-S259 PolarHBondContact O-N 3.33Å |
| 260 | N | 24.4 | Very low | 26 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | -130.3 | 105.2 | -179 | -79.8 | -12.8 | 0 | 0 | 0 | 109.7 | | |
| 261 | N | 27.1 | Very low | 26.2 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | | | trans | 172.6 | 94.9 | 133 | -82.3 | -16.3 | 0 | 0 | 0 | 110 | | |
| 262 | N | 26.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | trans | -77.4 | 159 | 163.5 | -79.2 | -24.4 | 0 | 0 | 0 | 110.8 | | |
| 263 | N | 27.6 | Very low | 26.4 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | trans | 80.2 | 72.4 | 158.6 | -59.4 | -14.9 | 0 | 0 | 0 | 118.1 | | |
| 264 | D | 26.7 | Very low | 26.5 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | | | trans | -124.5 | 100.9 | 162.5 | -101.6 | -22.7 | 0 | 0 | 0 | 112.3 | S266 V267 | D264-S266 PolarHBondContact O-N 3.38Å; D264-V267 PolarHBondContact O-N 3.31Å |
| 265 | K | 27.7 | Very low | 26.6 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -1.8 | 166.9 | -74.1 | 178.5 | 175.9 | 176.6 | 0 | 113.3 | V267 | K265-V267 VanDerWaalsContact C-N 3.29Å; K265-V267 PolarHBondContact O-N 2.94Å |
| 266 | S | 28.6 | Very low | 26.9 | Very low | 69 Ų | 69 | 144 Ų | 144 | 48% | 0.483 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -71.9 | -17.7 | 177.4 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | D264 I268 M269 | D264-S266 PolarHBondContact O-N 3.38Å; S266-I268 VanDerWaalsContact C-N 3.35Å; S266-I268 PolarHBondContact O-N 3.3Å; S266-M269 PolarHBondContact O-N 3.41Å |
| 267 | V | 30.2 | Very low | 27 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 42% | 0.424 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -67.8 | -33.9 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 112 | D264 K265 M269 K270 | D264-V267 PolarHBondContact O-N 3.31Å; K265-V267 VanDerWaalsContact C-N 3.29Å; K265-V267 PolarHBondContact O-N 2.94Å; V267-M269 PolarHBondContact O-N 3.32Å; V267-K270 PolarHBondContact O-N 3.06Å |
| 268 | I | 28.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -66.7 | -36.2 | -178.2 | -64 | 175 | 0 | 0 | 0 | 111.5 | S266 K270 L271 | S266-I268 VanDerWaalsContact C-N 3.35Å; S266-I268 PolarHBondContact O-N 3.3Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.36Å; I268-L271 PolarHBondContact O-N 2.7Å |
| 269 | M | 25.6 | Very low | 27.5 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.5 | -26.7 | -180 | -78.8 | -137.2 | -66.8 | 0 | 0 | 113.8 | S266 V267 | S266-M269 PolarHBondContact O-N 3.41Å; V267-M269 PolarHBondContact O-N 3.32Å |
| 270 | K | 28.6 | Very low | 27.7 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75 | -25.3 | 178.7 | -90.2 | -179 | 176.9 | 172.9 | 0 | 113.6 | V267 I268 | V267-K270 PolarHBondContact O-N 3.06Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.36Å |
| 271 | L | 26.8 | Very low | 28 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 56% | 0.56 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.5 | -35.6 | 178.6 | -119.5 | 111 | 0 | 0 | 0 | 112.2 | I268 Y273 Y274 Y275 | I268-L271 PolarHBondContact O-N 2.7Å; L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 2.96Å; L271-Y274 PolarHBondContact O-N 2.99Å; L271-Y275 HydrophobicContact CD2-CD2 4.31Å; L271-Y275 HydrophobicContact CD2-CE2 4.18Å; L271-Y275 PolarHBondContact O-N 2.79Å |
| 272 | K | 28.9 | Very low | 28.2 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.2 | -37.6 | 179.1 | -152.6 | 173.1 | -174.8 | -177.9 | 0 | 111.8 | Y274 | K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.86Å |
| 273 | Y | 26.1 | Very low | 28.2 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 69% | 0.686 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.1 | -24.9 | 178.8 | -124.5 | -80.1 | 0 | 0 | 0 | 114.4 | L271 | L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 2.96Å |
| 274 | Y | 25.4 | Very low | 28.3 | Very low | 181 Ų | 181 | 139 Ų | 139 | 71% | 0.71 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -88.7 | -27.1 | -177.8 | -106.2 | -80.1 | 0 | 0 | 0 | 113.6 | L271 K272 | L271-Y274 PolarHBondContact O-N 2.99Å; K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.86Å |
| 275 | Y | 26.2 | Very low | 28.3 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 58% | 0.58 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.4 | -37 | 178.6 | -96.6 | -81.6 | 0 | 0 | 0 | 112.9 | L271 H277 F278 F279 | L271-Y275 HydrophobicContact CD2-CD2 4.31Å; L271-Y275 HydrophobicContact CD2-CE2 4.18Å; L271-Y275 PolarHBondContact O-N 2.79Å; Y275-H277 VanDerWaalsContact C-N 3.3Å; Y275-H277 PolarHBondContact O-N 2.95Å; Y275-F278 PolarHBondContact O-N 3.45Å; Y275-F279 HydrophobicContact CD1-CE2 4.1Å; Y275-F279 WeakPolarHBondContact O-CD2 3.22Å |
| 276 | D | 28.9 | Very low | 28.3 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.7 | -35.7 | 179.7 | -69.5 | -16.7 | 0 | 0 | 0 | 111.7 | F278 F279 D280 | D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.97Å; D276-F279 PolarHBondContact O-N 3.01Å; D276-D280 PolarHBondContact O-N 3.23Å |
| 277 | H | 28.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 139 Ų | 139 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.3 | -18 | 179.6 | -89.9 | -45.9 | 0 | 0 | 0 | 115.4 | Y275 | Y275-H277 VanDerWaalsContact C-N 3.3Å; Y275-H277 PolarHBondContact O-N 2.95Å |
| 278 | F | 31.9 | Very low | 28.4 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.1 | -17.3 | 175.9 | -105.6 | -83 | 0 | 0 | 0 | 113.4 | Y275 D276 | Y275-F278 PolarHBondContact O-N 3.45Å; D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.97Å |
| 279 | F | 28.2 | Very low | 28.6 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -104.3 | -18.3 | 180 | -69.8 | -68.8 | 0 | 0 | 0 | 114.2 | Y275 D276 D281 T282 | Y275-F279 HydrophobicContact CD1-CE2 4.1Å; Y275-F279 WeakPolarHBondContact O-CD2 3.22Å; D276-F279 PolarHBondContact O-N 3.01Å; F279-D281 PolarHBondContact O-N 3.05Å; F279-T282 PolarHBondContact O-N 3.36Å; F279-T282 PolarHBondContact O-OG1 3.31Å |
| 280 | D | 29.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 61% | 0.61 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67 | -33.4 | 176.7 | -95.5 | -12.2 | 0 | 0 | 0 | 113.3 | D276 T282 N283 | D276-D280 PolarHBondContact O-N 3.23Å; D280-T282 PolarHBondContact O-N 3.1Å; D280-N283 PolarHBondContact O-N 3.36Å |
| 281 | D | 29.6 | Very low | 29.4 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -10.9 | -179.4 | -81.2 | -9 | 0 | 0 | 0 | 113.5 | F279 | F279-D281 PolarHBondContact O-N 3.05Š|
| 282 | T | 31.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -15.5 | 177.2 | 43 | 0 | 0 | 0 | 0 | 114.8 | F279 D280 | F279-T282 PolarHBondContact O-N 3.36Å; F279-T282 PolarHBondContact O-OG1 3.31Å; D280-T282 PolarHBondContact O-N 3.1Å |
| 283 | N | 28.3 | Very low | 29.8 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -122.4 | 31.5 | -167.1 | -79 | -20.3 | 0 | 0 | 0 | 116.4 | D280 | D280-N283 PolarHBondContact O-N 3.36Š|
| 284 | K | 28.1 | Very low | 30.2 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | | | trans | -128.3 | 103.4 | 161.2 | -81.1 | -177 | -179.1 | 168.7 | 0 | 113.1 | | |
| 285 | P | 26.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 87% | 0.87 | 71% | 0.71 | S | S | * | * | | | trans | -77.5 | 123.3 | 167.7 | 30.7 | -28.5 | 0 | 0 | 0 | 109 | | |
| 286 | G | 28.3 | Very low | 31.1 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | | | trans | -179.8 | 18 | 179.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 287 | Y | 29.7 | Very low | 31.3 | Very low | 203 Ų | 203 | 149 Ų | 149 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | -123.9 | 83.4 | 171.3 | -79.6 | -80.6 | 0 | 0 | 0 | 111.1 | D289 | Y287-D289 HydrophobicContact CD1-CB 4.24Å; Y287-D289 WeakPolarHBondContact CD1-OD2 3.33Å; Y287-D289 PolarHBondContact O-N 3.39Å; Y287-D289 VanDerWaalsContact O-N 3.11Å |
| 288 | D | 30.7 | Very low | 31.6 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -68.1 | 24.1 | 156.9 | -113 | -21 | 0 | 0 | 0 | 112.3 | K290 | D288-K290 PolarHBondContact O-N 3.48Š|
| 289 | D | 33.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 152.2 Ų | 152.2 | 55% | 0.551 | 75% | 0.754 | S | S | * | * | | | trans | -82.4 | 93.5 | 178 | -86 | -21.5 | 0 | 0 | 0 | 109.7 | Y287 S291 | Y287-D289 HydrophobicContact CD1-CB 4.24Å; Y287-D289 WeakPolarHBondContact CD1-OD2 3.33Å; Y287-D289 PolarHBondContact O-N 3.39Å; Y287-D289 VanDerWaalsContact O-N 3.11Å; D289-S291 PolarHBondContact O-N 3.37Å |
| 290 | K | 35 | Very low | 32.2 | Very low | 209 Ų | 209 | 156 Ų | 156 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 32.3 | 168.3 | -67.6 | 177.1 | 177 | 171.2 | 0 | 114.5 | D288 | D288-K290 PolarHBondContact O-N 3.48Š|
| 291 | S | 34.9 | Very low | 32.4 | Very low | 88 Ų | 88 | 159.3 Ų | 159.3 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | 12.1 | -177.7 | 75.9 | 0 | 0 | 0 | 0 | 114.6 | D289 N293 | D289-S291 PolarHBondContact O-N 3.37Å; S291-N293 VanDerWaalsContact C-N 3.25Å; S291-N293 PolarHBondContact O-N 3.5Å |
| 292 | Y | 31 | Very low | 32.8 | Very low | 222 Ų | 222 | 159.2 Ų | 159.2 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | | | trans | -59.6 | 98 | 162.4 | -92.9 | -84.9 | 0 | 0 | 0 | 108.5 | K294 | Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.95Å |
| 293 | N | 34.9 | Very low | 32.9 | Very low | 154 Ų | 154 | 161.8 Ų | 161.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -47.7 | 97.7 | 165 | -84 | -38 | 0 | 0 | 0 | 106.6 | S291 P295 | S291-N293 VanDerWaalsContact C-N 3.25Å; S291-N293 PolarHBondContact O-N 3.5Å; N293-P295 WeakPolarHBondContact O-CD 3.48Å |
| 294 | K | 33.5 | Very low | 33.3 | Very low | 187 Ų | 187 | 164.7 Ų | 164.7 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -49.5 | 121.5 | 174.1 | -83.4 | -178.1 | 178.2 | 179.7 | 0 | 105.9 | Y292 K296 | Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.95Å; K294-K296 PolarHBondContact O-N 2.99Å |
| 295 | P | 37.5 | Very low | 33.7 | Very low | 88 Ų | 88 | 164.6 Ų | 164.6 | 57% | 0.571 | 79% | 0.786 | S | S | * | * | | | trans | -52.6 | 118.5 | 176.3 | 18.5 | -28.7 | 0 | 0 | 0 | 106.5 | N293 Y297 | N293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-Y297 HydrophobicContact CG-CE2 4.24Å; P295-Y297 VanDerWaalsContact O-CD2 3.28Å; P295-Y297 WeakPolarHBondContact O-CD2 3.48Å; P295-Y297 PolarHBondContact O-N 2.93Å |
| 296 | K | 32.8 | Very low | 34.1 | Very low | 202 Ų | 202 | 165.4 Ų | 165.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | -62.9 | 96.6 | 171.9 | -77.2 | -177.2 | 177.8 | -179.5 | 0 | 105.2 | K294 Q298 | K294-K296 PolarHBondContact O-N 2.99Å; K296-Q298 PolarHBondContact O-N 2.85Å |
| 297 | Y | 33.6 | Very low | 34.4 | Very low | 200 Ų | 200 | 171 Ų | 171 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | -57.2 | 108.5 | 169.5 | -70.2 | -83.4 | 0 | 0 | 0 | 106 | P295 E299 | P295-Y297 HydrophobicContact CG-CE2 4.24Å; P295-Y297 VanDerWaalsContact O-CD2 3.28Å; P295-Y297 WeakPolarHBondContact O-CD2 3.48Å; P295-Y297 PolarHBondContact O-N 2.93Å; Y297-E299 PolarHBondContact O-N 3.25Å |
| 298 | Q | 34.2 | Very low | 34.7 | Very low | 171 Ų | 171 | 170.7 Ų | 170.7 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -57.1 | 114.4 | 167.9 | -83 | 179.3 | -29.9 | 0 | 0 | 105.8 | K296 Y300 | K296-Q298 PolarHBondContact O-N 2.85Å; Q298-Y300 WeakPolarHBondContact O-CD2 3.5Å; Q298-Y300 PolarHBondContact O-N 2.97Å |
| 299 | E | 36.3 | Very low | 35 | Very low | 186 Ų | 186 | 172.5 Ų | 172.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -56.9 | 103.2 | 175 | -153.1 | 172.2 | -162.1 | 0 | 0 | 106.6 | Y297 Q301 | Y297-E299 PolarHBondContact O-N 3.25Å; E299-Q301 PolarHBondContact O-N 2.95Å |
| 300 | Y | 36.2 | Very low | 35.2 | Very low | 213 Ų | 213 | 172.8 Ų | 172.8 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -61.3 | 109.4 | -179.1 | -79 | -91 | 0 | 0 | 0 | 107.3 | Q298 N302 | Q298-Y300 WeakPolarHBondContact O-CD2 3.5Å; Q298-Y300 PolarHBondContact O-N 2.97Å; Y300-N302 PolarHBondContact O-N 2.99Å |
| 301 | Q | 34.1 | Very low | 35.4 | Very low | 182 Ų | 182 | 169.1 Ų | 169.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -58.4 | 111 | 172.3 | -72.6 | -168.1 | -7.8 | 0 | 0 | 107.8 | E299 I303 | E299-Q301 PolarHBondContact O-N 2.95Å; Q301-I303 PolarHBondContact O-N 3.17Å |
| 302 | N | 38.3 | Very low | 35.6 | Very low | 155 Ų | 155 | 170.1 Ų | 170.1 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | -55.7 | 105.3 | 175 | -87.1 | -32.7 | 0 | 0 | 0 | 108.7 | Y300 K304 | Y300-N302 PolarHBondContact O-N 2.99Å; N302-K304 PolarHBondContact O-N 2.96Å |
| 303 | I | 33.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 166.2 Ų | 166.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -60.5 | 108.6 | 178.5 | -60.2 | 170.9 | 0 | 0 | 0 | 107 | Q301 R305 | Q301-I303 PolarHBondContact O-N 3.17Å; I303-R305 PolarHBondContact O-N 2.95Å |
| 304 | K | 37 | Very low | 36.3 | Very low | 194 Ų | 194 | 165 Ų | 165 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -60 | 100.5 | 173.7 | -78.5 | -176.4 | 176.9 | 178.1 | 0 | 108.4 | N302 I306 | N302-K304 PolarHBondContact O-N 2.96Å; K304-I306 PolarHBondContact O-N 3.13Å; K304-I306 VanDerWaalsContact O-N 3.11Å |
| 305 | R | 36 | Very low | 36.4 | Very low | 193 Ų | 193 | 166.6 Ų | 166.6 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | trans | -71.5 | 102.3 | 173.1 | -67.3 | -175 | -179.3 | -161.6 | 0.5 | 108.5 | I303 Y307 | I303-R305 PolarHBondContact O-N 2.95Å; R305-Y307 HydrophobicContact CB-CD2 4.26Å; R305-Y307 HydrophobicContact CB-CE2 3.68Å; R305-Y307 VanDerWaalsContact CD-OH 3.29Å; R305-Y307 WeakPolarHBondContact CD-OH 3.33Å; R305-Y307 WeakPolarHBondContact O-CD2 3.42Å; R305-Y307 PolarHBondContact O-N 2.89Å |
| 306 | I | 34.5 | Very low | 36.4 | Very low | 152 Ų | 152 | 172 Ų | 172 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | trans | -81.3 | 98.2 | 171.8 | -57.6 | 172.4 | 0 | 0 | 0 | 107.2 | K304 K308 | K304-I306 PolarHBondContact O-N 3.13Å; K304-I306 VanDerWaalsContact O-N 3.11Å; I306-K308 PolarHBondContact O-N 2.72Å |
| 307 | Y | 35.7 | Very low | 36.7 | Very low | 181 Ų | 181 | 168.7 Ų | 168.7 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | | | trans | -76.8 | 102.2 | 172.5 | -64.4 | -82.8 | 0 | 0 | 0 | 108.9 | R305 K309 | R305-Y307 HydrophobicContact CB-CD2 4.26Å; R305-Y307 HydrophobicContact CB-CE2 3.68Å; R305-Y307 VanDerWaalsContact CD-OH 3.29Å; R305-Y307 WeakPolarHBondContact CD-OH 3.33Å; R305-Y307 WeakPolarHBondContact O-CD2 3.42Å; R305-Y307 PolarHBondContact O-N 2.89Å; Y307-K309 PolarHBondContact O-N 2.98Å |
| 308 | K | 35.2 | Very low | 36.8 | Very low | 195 Ų | 195 | 163 Ų | 163 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.8 | 164.8 | -91.6 | -178.9 | 173.3 | 177.8 | 0 | 108 | I306 | I306-K308 PolarHBondContact O-N 2.72Š|
| 309 | K | 37.7 | Very low | 36.9 | Very low | 194 Ų | 194 | 162.7 Ų | 162.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.9 | 168.2 | -86.2 | -177.5 | 176.5 | 178.5 | 0 | 108.5 | Y307 T311 | Y307-K309 PolarHBondContact O-N 2.98Å; K309-T311 PolarHBondContact O-N 2.73Å |
| 310 | P | 38.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.4 | 175.9 | 23.3 | -30.4 | 0 | 0 | 0 | 109 | V312 | P310-V312 VanDerWaalsContact C-N 3.26Å; P310-V312 PolarHBondContact O-N 2.74Å |
| 311 | T | 37.5 | Very low | 37 | Very low | 131 Ų | 131 | 156.4 Ų | 156.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -69 | 92.2 | 163.2 | 34.6 | 0 | 0 | 0 | 0 | 107.1 | K309 N313 | K309-T311 PolarHBondContact O-N 2.73Å; T311-N313 VanDerWaalsContact C-N 3.35Å; T311-N313 PolarHBondContact O-N 3.11Å |
| 312 | V | 39.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 157.5 Ų | 157.5 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | | | trans | -68.2 | 100 | 170.1 | -174.2 | 0 | 0 | 0 | 0 | 106 | P310 V314 | P310-V312 VanDerWaalsContact C-N 3.26Å; P310-V312 PolarHBondContact O-N 2.74Å; V312-V314 VanDerWaalsContact C-N 3.28Å; V312-V314 HydrophobicContact CG1-CG2 4.49Å; V312-V314 PolarHBondContact O-N 2.97Å |
| 313 | N | 41.7 | Very low | 36.7 | Very low | 139 Ų | 139 | 160.4 Ų | 160.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -63.5 | 100.1 | 162.8 | -76.5 | -20.9 | 0 | 0 | 0 | 105.9 | T311 R315 | T311-N313 VanDerWaalsContact C-N 3.35Å; T311-N313 PolarHBondContact O-N 3.11Å; N313-R315 PolarHBondContact O-N 2.72Å |
| 314 | V | 38.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 160.5 Ų | 160.5 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | trans | -66.1 | 78 | 174.2 | -172.4 | 0 | 0 | 0 | 0 | 107.2 | V312 K316 | V312-V314 VanDerWaalsContact C-N 3.28Å; V312-V314 HydrophobicContact CG1-CG2 4.49Å; V312-V314 PolarHBondContact O-N 2.97Å; V314-K316 PolarHBondContact O-N 3.19Å |
| 315 | R | 35.6 | Very low | 36.7 | Very low | 220 Ų | 220 | 162.4 Ų | 162.4 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -69.3 | 111.1 | 160.9 | -86.2 | -174.5 | 179 | 180 | -0.2 | 105.2 | N313 V317 | N313-R315 PolarHBondContact O-N 2.72Å; R315-V317 PolarHBondContact O-N 3.1Å |
| 316 | K | 38.9 | Very low | 36.6 | Very low | 202 Ų | 202 | 163.1 Ų | 163.1 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | -43.5 | 100.8 | 166 | -68.1 | 177 | 176.9 | 179.5 | 0 | 107.7 | V314 S318 | V314-K316 PolarHBondContact O-N 3.19Å; K316-S318 PolarHBondContact O-N 3.06Å |
| 317 | V | 38.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 159.6 Ų | 159.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -77.1 | 105.7 | 168 | -176 | 0 | 0 | 0 | 0 | 103.9 | R315 N319 | R315-V317 PolarHBondContact O-N 3.1Å; V317-N319 PolarHBondContact O-N 2.86Å |
| 318 | S | 35.4 | Very low | 36.5 | Very low | 80 Ų | 80 | 160.8 Ų | 160.8 | 56% | 0.559 | 80% | 0.802 | S | S | * | * | | | trans | -57.7 | 133.2 | 176.5 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | K316 D320 | K316-S318 PolarHBondContact O-N 3.06Å; S318-D320 VanDerWaalsContact C-N 3.33Å; S318-D320 PolarHBondContact O-N 2.88Å; S318-D320 PolarHBondContact OG-OD2 3.05Å |
| 319 | N | 36.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 157 Ų | 157 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -68.2 | 84.1 | 175.7 | -75.4 | -26.7 | 0 | 0 | 0 | 110 | V317 | V317-N319 PolarHBondContact O-N 2.86Š|
| 320 | D | 36.4 | Very low | 36.1 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -106.1 | 14.5 | -177.8 | -80.5 | -43.5 | 0 | 0 | 0 | 115.4 | S318 | S318-D320 VanDerWaalsContact C-N 3.33Å; S318-D320 PolarHBondContact O-N 2.88Å; S318-D320 PolarHBondContact OG-OD2 3.05Å |
| 321 | V | 38 | Very low | 35.9 | Very low | 133 Ų | 133 | 156.2 Ų | 156.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -123.1 | 9.9 | -169.7 | -164.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 322 | Y | 32.6 | Very low | 35.8 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | trans | -124.7 | 77.6 | 171.5 | -106.2 | -94 | 0 | 0 | 0 | 112.2 | E324 | Y322-E324 HydrophobicContact CD1-CB 4.25Å; Y322-E324 PolarHBondContact O-N 2.96Å |
| 323 | K | 34.6 | Very low | 35.4 | Very low | 217 Ų | 217 | 163.3 Ų | 163.3 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | | | trans | -93.3 | 73.3 | 160.8 | -79.5 | -175.8 | 178.2 | 174.5 | 0 | 108.8 | | |
| 324 | E | 36 | Very low | 35.1 | Very low | 154 Ų | 154 | 167 Ų | 167 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | -86.9 | 117.2 | 170.8 | -141.4 | 171.5 | -169 | 0 | 0 | 110.1 | Y322 | Y322-E324 HydrophobicContact CD1-CB 4.25Å; Y322-E324 PolarHBondContact O-N 2.96Å |
| 325 | R | 34.3 | Very low | 34.9 | Very low | 234 Ų | 234 | 169.2 Ų | 169.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -3.4 | 107 | 166.6 | -67.2 | 172.3 | 176.3 | -176.6 | -2.1 | 118.3 | G327 | R325-G327 PolarHBondContact O-N 2.93Š|
| 326 | K | 33.7 | Very low | 34.6 | Very low | 209 Ų | 209 | 166.3 Ų | 166.3 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | 25.1 | 79.6 | 133.2 | -61.5 | -167.2 | 178.8 | -176.6 | 0 | 117.1 | | |
| 327 | G | 37.2 | Very low | 34.2 | Very low | 78 Ų | 78 | 165.7 Ų | 165.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -92.2 | 105.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R325 S329 | R325-G327 PolarHBondContact O-N 2.93Å; G327-S329 PolarHBondContact O-N 2.81Å |
| 328 | K | 31.3 | Very low | 33.8 | Very low | 206 Ų | 206 | 168.4 Ų | 168.4 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | trans | -72.1 | 102.9 | 169.7 | -73.5 | 179.2 | 176.4 | -179.8 | 0 | 108.2 | | |
| 329 | S | 32 | Very low | 33.5 | Very low | 115 Ų | 115 | 168.4 Ų | 168.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -130.9 | 111 | 157.5 | -176.1 | 0 | 0 | 0 | 0 | 107 | G327 | G327-S329 PolarHBondContact O-N 2.81Š|
| 330 | N | 33.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 169.4 Ų | 169.4 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | | | trans | -62.8 | 151.6 | 166.7 | -69.2 | -19.3 | 0 | 0 | 0 | 109.3 | | |
| 331 | D | 33.2 | Very low | 33.1 | Very low | 149 Ų | 149 | 170.4 Ų | 170.4 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | trans | 119.2 | 123.2 | 148.8 | -62.8 | -18.1 | 0 | 0 | 0 | 116.6 | | |
| 332 | K | 35 | Very low | 33.1 | Very low | 192 Ų | 192 | 172.9 Ų | 172.9 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | 91.7 | 74.2 | 163.7 | -61.6 | 174.6 | -175.3 | 172.6 | 0 | 116.7 | R334 | K332-R334 PolarHBondContact O-N 2.95Š|
| 333 | E | 32.2 | Very low | 33.1 | Very low | 197 Ų | 197 | 173.6 Ų | 173.6 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | | | | -21.2 | 111.6 | 129.8 | -165 | 175.4 | -144.6 | 0 | 0 | 113 | | |
| 334 | R | 35.1 | Very low | 33 | Very low | 218 Ų | 218 | 173.9 Ų | 173.9 | 82% | 0.823 | 83% | 0.827 | S | S | * | * | | | trans | -157.1 | 105 | 157.7 | -147 | 175.8 | -82 | -147.8 | -1.1 | 112.3 | K332 | K332-R334 PolarHBondContact O-N 2.95Š|
| 335 | H | 33.5 | Very low | 32.9 | Very low | 175 Ų | 175 | 175.6 Ų | 175.6 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | | | trans | 48.5 | 105.7 | 149.9 | -68.1 | -65.4 | 0 | 0 | 0 | 120.7 | E337 | H335-E337 PolarHBondContact O-N 2.77Š|
| 336 | E | 30.8 | Very low | 33 | Very low | 159 Ų | 159 | 173.9 Ų | 173.9 | 74% | 0.743 | 83% | 0.834 | S | S | * | * | | | trans | -61.5 | 110.2 | 150.9 | -64.5 | 174.2 | 161.5 | 0 | 0 | 109.7 | Y338 | E336-Y338 HydrophobicContact CB-CD2 4.4Å; E336-Y338 HydrophobicContact CB-CE2 4.02Å |
| 337 | E | 29.7 | Very low | 33.2 | Very low | 189 Ų | 189 | 169.4 Ų | 169.4 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | -107 | 102.4 | 166.5 | -156.7 | 171.7 | -161.3 | 0 | 0 | 108.7 | H335 G339 | H335-E337 PolarHBondContact O-N 2.77Å; E337-G339 VanDerWaalsContact C-N 3.33Å; E337-G339 PolarHBondContact O-N 3.04Å |
| 338 | Y | 28.7 | Very low | 33.1 | Very low | 189 Ų | 189 | 174.6 Ų | 174.6 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | | | trans | -68.9 | 88.3 | 174 | -71.9 | -90.3 | 0 | 0 | 0 | 109.6 | E336 K340 | E336-Y338 HydrophobicContact CB-CD2 4.4Å; E336-Y338 HydrophobicContact CB-CE2 4.02Å; Y338-K340 PolarHBondContact O-N 3.42Å; Y338-K340 VanDerWaalsContact O-N 3.1Å |
| 339 | G | 30.6 | Very low | 33.4 | Very low | 79 Ų | 79 | 170 Ų | 170 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | -67.5 | 102.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E337 | E337-G339 VanDerWaalsContact C-N 3.33Å; E337-G339 PolarHBondContact O-N 3.04Å |
| 340 | K | 30.7 | Very low | 33.7 | Very low | 187 Ų | 187 | 172.5 Ų | 172.5 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | -47 | 133.9 | 177.3 | -72.9 | 167.4 | 174.7 | 171.3 | 0 | 114.4 | Y338 Q342 | Y338-K340 PolarHBondContact O-N 3.42Å; Y338-K340 VanDerWaalsContact O-N 3.1Å; K340-Q342 PolarHBondContact O-N 2.79Å; K340-Q342 VanDerWaalsContact O-N 3.12Å |
| 341 | D | 33.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 173.5 Ų | 173.5 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | | | trans | -11.6 | 94.8 | 153.8 | -56.4 | -41.1 | 0 | 0 | 0 | 115.8 | Y343 | D341-Y343 PolarHBondContact O-N 3.48Š|
| 342 | Q | 36.9 | Very low | 33.7 | Very low | 184 Ų | 184 | 169.3 Ų | 169.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -81.3 | 109.3 | 165.1 | -73.7 | -162.4 | -16.9 | 0 | 0 | 109.8 | K340 | K340-Q342 PolarHBondContact O-N 2.79Å; K340-Q342 VanDerWaalsContact O-N 3.12Å |
| 343 | Y | 32.6 | Very low | 33.7 | Very low | 219 Ų | 219 | 169.6 Ų | 169.6 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | | | trans | -45.6 | 131.4 | 173.2 | -104.7 | -114.6 | 0 | 0 | 0 | 112.8 | D341 E345 | D341-Y343 PolarHBondContact O-N 3.48Å; Y343-E345 PolarHBondContact O-N 3.33Å; Y343-E345 VanDerWaalsContact O-N 3.08Å |
| 344 | Y | 32 | Very low | 34 | Very low | 224 Ų | 224 | 166.6 Ų | 166.6 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | | | trans | -69.1 | 95.4 | 170.2 | -78.3 | -93.7 | 0 | 0 | 0 | 110.6 | K346 | Y344-K346 PolarHBondContact O-N 2.97Š|
| 345 | E | 34.9 | Very low | 34.2 | Very low | 190 Ų | 190 | 167.3 Ų | 167.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -77.3 | 107.4 | 161.1 | -129.4 | 178 | -175.4 | 0 | 0 | 108.4 | Y343 S347 | Y343-E345 PolarHBondContact O-N 3.33Å; Y343-E345 VanDerWaalsContact O-N 3.08Å; E345-S347 PolarHBondContact O-N 3.24Å |
| 346 | K | 36.7 | Very low | 34.6 | Very low | 197 Ų | 197 | 165.8 Ų | 165.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -63.1 | 98.5 | 172.7 | -82 | 174.8 | 176.3 | 170.5 | 0 | 108.6 | Y344 K348 | Y344-K346 PolarHBondContact O-N 2.97Å; K346-K348 PolarHBondContact O-N 2.85Å |
| 347 | S | 37 | Very low | 35.1 | Very low | 116 Ų | 116 | 165.5 Ų | 165.5 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.9 | 167.7 | 35.7 | 0 | 0 | 0 | 0 | 109.5 | E345 | E345-S347 PolarHBondContact O-N 3.24Š|
| 348 | K | 35.8 | Very low | 35.6 | Very low | 187 Ų | 187 | 165.6 Ų | 165.6 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.9 | 174.2 | -71 | 177.3 | 179.8 | 171.6 | 0 | 108.6 | K346 D350 | K346-K348 PolarHBondContact O-N 2.85Å; K348-D350 PolarHBondContact O-N 2.93Å |
| 349 | P | 36.5 | Very low | 36.2 | Very low | 109 Ų | 109 | 165.4 Ų | 165.4 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 123.3 | 177.6 | 27 | -32.1 | 0 | 0 | 0 | 109.2 | N351 | P349-N351 VanDerWaalsContact C-N 3.34Å; P349-N351 PolarHBondContact O-N 2.73Å |
| 350 | D | 38.4 | Very low | 36.7 | Very low | 168 Ų | 168 | 166.5 Ų | 166.5 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -60.4 | 95.8 | 171 | -85.4 | -33.9 | 0 | 0 | 0 | 109.5 | K348 G352 | K348-D350 PolarHBondContact O-N 2.93Å; D350-G352 PolarHBondContact O-N 3.47Å; D350-G352 VanDerWaalsContact O-N 3.14Å |
| 351 | N | 36.4 | Very low | 37.2 | Very low | 160 Ų | 160 | 165 Ų | 165 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -73.5 | 99.4 | 168.6 | -85.1 | -11.9 | 0 | 0 | 0 | 108.5 | P349 | P349-N351 VanDerWaalsContact C-N 3.34Å; P349-N351 PolarHBondContact O-N 2.73Å |
| 352 | G | 30.6 | Very low | 37.5 | Very low | 60 Ų | 60 | 166.7 Ų | 166.7 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | trans | 95.9 | 98.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D350 | D350-G352 PolarHBondContact O-N 3.47Å; D350-G352 VanDerWaalsContact O-N 3.14Å |
| 353 | K | 35.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 164.5 Ų | 164.5 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -173.4 | 141.4 | 137.5 | -97.3 | 152.7 | -164.1 | -172.3 | 0 | 110 | | |
| 354 | N | 38 | Very low | 38.2 | Very low | 134 Ų | 134 | 163 Ų | 163 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | 77.4 | 63.6 | 160.2 | -59.4 | -12.6 | 0 | 0 | 0 | 118.6 | L356 | N354-L356 PolarHBondContact O-N 2.89Š|
| 355 | Y | 39.7 | Very low | 38.9 | Very low | 233 Ų | 233 | 158 Ų | 158 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -76.3 | 89 | 136.5 | -67.9 | -81.1 | 0 | 0 | 0 | 107.2 | D357 | Y355-D357 PolarHBondContact O-N 2.89Š|
| 356 | L | 41 | Very low | 39.2 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -67.4 | 109.4 | 160.6 | -89.1 | 154.1 | 0 | 0 | 0 | 106.5 | N354 K358 | N354-L356 PolarHBondContact O-N 2.89Å; L356-K358 PolarHBondContact O-N 2.96Å |
| 357 | D | 41.5 | Very low | 39.5 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -55.2 | 88.6 | 166.1 | -91.7 | -26.2 | 0 | 0 | 0 | 109.1 | Y355 K359 | Y355-D357 PolarHBondContact O-N 2.89Å; D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 PolarHBondContact O-N 2.86Å |
| 358 | K | 40.3 | Very low | 39.6 | Very low | 191 Ų | 191 | 159.1 Ų | 159.1 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -71.6 | 90.2 | 164.3 | -80.3 | -175.3 | 175.2 | -176.8 | 0 | 107.1 | L356 T360 | L356-K358 PolarHBondContact O-N 2.96Å; K358-T360 PolarHBondContact O-N 2.86Å |
| 359 | K | 40.7 | Very low | 39.8 | Very low | 186 Ų | 186 | 159.8 Ų | 159.8 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | | | trans | -57.3 | 108.8 | 160.1 | -71.8 | -176.9 | 178 | 179.5 | 0 | 107 | D357 D361 | D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 PolarHBondContact O-N 2.86Å; K359-D361 PolarHBondContact O-N 2.95Å |
| 360 | T | 42.1 | Very low | 40.2 | Very low | 102 Ų | 102 | 162 Ų | 162 | 63% | 0.626 | 80% | 0.796 | S | S | * | * | | | trans | -70.3 | 111.7 | 170.7 | 29.3 | 0 | 0 | 0 | 0 | 108.6 | K358 Y362 | K358-T360 PolarHBondContact O-N 2.86Å; T360-Y362 HydrophobicContact CG2-CE2 4.39Å; T360-Y362 WeakPolarHBondContact O-CD2 3.43Å; T360-Y362 PolarHBondContact O-N 3.48Å; T360-Y362 VanDerWaalsContact OG1-CE2 3.32Å; T360-Y362 WeakPolarHBondContact OG1-CE2 3.33Å |
| 361 | D | 40.4 | Very low | 40.4 | Very low | 155 Ų | 155 | 158.7 Ų | 158.7 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 97.8 | 171.4 | -69.3 | -40.7 | 0 | 0 | 0 | 109.6 | K359 | K359-D361 PolarHBondContact O-N 2.95Š|
| 362 | Y | 41 | Very low | 40.7 | Very low | 192 Ų | 192 | 160.7 Ų | 160.7 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -90 | 9.9 | -175.2 | -98.3 | -80.2 | 0 | 0 | 0 | 114.4 | T360 | T360-Y362 HydrophobicContact CG2-CE2 4.39Å; T360-Y362 WeakPolarHBondContact O-CD2 3.43Å; T360-Y362 PolarHBondContact O-N 3.48Å; T360-Y362 VanDerWaalsContact OG1-CE2 3.32Å; T360-Y362 WeakPolarHBondContact OG1-CE2 3.33Å |
| 363 | D | 40 | Very low | 41.2 | Very low | 138 Ų | 138 | 166.2 Ų | 166.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -103.7 | -7.4 | -170.7 | -75.9 | -32.5 | 0 | 0 | 0 | 116.3 | V365 | D363-V365 PolarHBondContact O-N 3.01Š|
| 364 | E | 43.3 | Very low | 41.6 | Very low | 187 Ų | 187 | 166.4 Ų | 166.4 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -80 | -7.1 | -174.5 | -93.1 | -170.3 | 163.3 | 0 | 0 | 116.3 | K366 | E364-K366 PolarHBondContact O-N 2.89Š|
| 365 | V | 45.8 | Very low | 41.6 | Very low | 118 Ų | 118 | 170.2 Ų | 170.2 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -89.5 | -3.7 | -169.9 | -166.8 | 0 | 0 | 0 | 0 | 114.1 | D363 N367 | D363-V365 PolarHBondContact O-N 3.01Å; V365-N367 VanDerWaalsContact C-N 3.26Å; V365-N367 PolarHBondContact O-N 3.06Å; V365-N367 VanDerWaalsContact O-N 3.11Å |
| 366 | K | 41.8 | Very low | 42 | Very low | 186 Ų | 186 | 161.7 Ų | 161.7 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -69.2 | -8.9 | -173.6 | -83.1 | -175.1 | 178.4 | 174.1 | 0 | 116.5 | E364 | E364-K366 PolarHBondContact O-N 2.89Š|
| 367 | N | 43.2 | Very low | 42.4 | Very low | 153 Ų | 153 | 163.8 Ų | 163.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -114.7 | 23.1 | -169.7 | -74.4 | -20.2 | 0 | 0 | 0 | 117 | V365 K369 | V365-N367 VanDerWaalsContact C-N 3.26Å; V365-N367 PolarHBondContact O-N 3.06Å; V365-N367 VanDerWaalsContact O-N 3.11Å; N367-K369 PolarHBondContact O-N 3.08Å |
| 368 | K | 40.3 | Very low | 42.6 | Very low | 188 Ų | 188 | 160.9 Ų | 160.9 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | trans | -84.1 | 94.4 | 170.5 | -79 | -174.9 | 177.4 | 176.3 | 0 | 111.4 | I370 | K368-I370 PolarHBondContact O-N 3.06Š|
| 369 | K | 39.6 | Very low | 43 | Very low | 201 Ų | 201 | 158.5 Ų | 158.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 123.4 | 166 | -75.1 | -179.2 | 175.9 | 179.7 | 0 | 109.9 | N367 | N367-K369 PolarHBondContact O-N 3.08Š|
| 370 | I | 44 | Very low | 43.6 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 130.9 | 179 | -61.6 | 171.9 | 0 | 0 | 0 | 108.7 | K368 E372 | K368-I370 PolarHBondContact O-N 3.06Å; I370-E372 PolarHBondContact O-N 2.82Å |
| 371 | P | 42.2 | Very low | 44.1 | Very low | 99 Ų | 99 | 159.2 Ų | 159.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 126.5 | -178.8 | 25.2 | -31.5 | 0 | 0 | 0 | 112.4 | K373 | P371-K373 PolarHBondContact O-N 2.84Š|
| 372 | E | 42.5 | Very low | 44.6 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | | | trans | -64.1 | 95.2 | 171.9 | -68.9 | 179.8 | 160.2 | 0 | 0 | 110.3 | I370 | I370-E372 PolarHBondContact O-N 2.82Š|
| 373 | K | 42.4 | Very low | 45.3 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | -116.1 | 111.2 | 171.7 | -78.7 | -173.1 | 177.2 | -179.4 | 0 | 110.8 | P371 | P371-K373 PolarHBondContact O-N 2.84Š|
| 374 | K | 43 | Very low | 45.9 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | 60.6 | 78.3 | 144.8 | -58.9 | -174.5 | 176.4 | -173.7 | 0 | 116.9 | | |
| 375 | K | 39.6 | Very low | 46.3 | Very low | 214 Ų | 214 | 149.4 Ų | 149.4 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | | | trans | -55.9 | 146.2 | 139.6 | -63.3 | -179.2 | 178.6 | -178.2 | 0 | 107.6 | | |
| 376 | A | 48.1 | Very low | 47.2 | Very low | 55 Ų | 55 | 151.7 Ų | 151.7 | 46% | 0.455 | 73% | 0.732 | S | S | . | * | | | cis | -152.4 | 120.7 | 0.4 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 377 | K | 48.1 | Very low | 48.3 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 81% | 0.809 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -117 | -9.1 | 166.9 | -93.2 | -170.9 | 174.9 | -172.3 | 0 | 112 | | |
| 378 | S | 45.4 | Very low | 49 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -83.7 | -27.7 | -179.9 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | S382 | S378-S382 PolarHBondContact O-N 3.19Å |
| 379 | E | 49.6 | Very low | 49.6 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 66% | 0.659 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70.6 | -41.4 | -180 | -79.5 | 173.3 | 164 | 0 | 0 | 112 | K381 S382 E383 | E379-K381 PolarHBondContact O-N 2.85Å; E379-S382 WeakPolarHBondContact O-CB 3.39Å; E379-S382 PolarHBondContact O-N 2.92Å; E379-S382 VanDerWaalsContact O-N 3.1Å; E379-E383 PolarHBondContact O-N 2.95Å |
| 380 | E | 53.1 | Low | 50.4 | Low | 151 Ų | 151 | 141.6 Ų | 141.6 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -59.3 | -41.8 | 175.1 | -93.2 | -179.3 | 157 | 0 | 0 | 112.8 | S382 E383 E384 | E380-S382 PolarHBondContact O-N 3Å; E380-E383 PolarHBondContact O-N 3.2Å; E380-E384 PolarHBondContact O-N 3.32Å |
| 381 | K | 52.7 | Low | 51 | Low | 153 Ų | 153 | 141.4 Ų | 141.4 | 67% | 0.665 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.3 | -24.9 | 177.9 | -90.8 | -170.8 | 173.1 | -172.8 | 0 | 113.6 | E379 | E379-K381 PolarHBondContact O-N 2.85Å |
| 382 | S | 50.4 | Low | 51.6 | Low | 79 Ų | 79 | 141.8 Ų | 141.8 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.7 | -39.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | S378 E379 E380 K386 | S378-S382 PolarHBondContact O-N 3.19Å; E379-S382 WeakPolarHBondContact O-CB 3.39Å; E379-S382 PolarHBondContact O-N 2.92Å; E379-S382 VanDerWaalsContact O-N 3.1Å; E380-S382 PolarHBondContact O-N 3Å; S382-K386 PolarHBondContact O-N 3.46Å |
| 383 | E | 55.7 | Low | 52.1 | Low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.1 | -34.8 | 179.9 | -82 | -175.9 | 153.9 | 0 | 0 | 112.9 | E379 E380 K386 K387 | E379-E383 PolarHBondContact O-N 2.95Å; E380-E383 PolarHBondContact O-N 3.2Å; E383-K386 PolarHBondContact O-N 3.22Å; E383-K387 PolarHBondContact O-N 3.21Å |
| 384 | E | 54 | Low | 52.6 | Low | 134 Ų | 134 | 134.6 Ų | 134.6 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.7 | -43.2 | 178.8 | -158.8 | 169.6 | -154.3 | 0 | 0 | 111.7 | E380 K386 K387 Q388 | E380-E384 PolarHBondContact O-N 3.32Å; E384-K386 VanDerWaalsContact C-N 3.28Å; E384-K386 PolarHBondContact O-N 3.26Å; E384-K387 PolarHBondContact O-N 3.25Å; E384-Q388 PolarHBondContact O-N 2.86Å |
| 385 | N | 51.2 | Low | 52.9 | Low | 111 Ų | 111 | 132.8 Ų | 132.8 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.3 | -34.7 | 175.6 | -78.2 | -17.1 | 0 | 0 | 0 | 112.7 | Q388 V389 | N385-Q388 PolarHBondContact O-N 3.11Å; N385-V389 WeakPolarHBondContact O-CG2 3.28Å; N385-V389 PolarHBondContact O-N 2.96Å |
| 386 | K | 63.7 | Low | 53.4 | Low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.2 | -38.3 | -178.6 | -147.4 | 179 | -175.6 | -175 | 0 | 111.8 | S382 E383 E384 E390 | S382-K386 PolarHBondContact O-N 3.46Å; E383-K386 PolarHBondContact O-N 3.22Å; E384-K386 VanDerWaalsContact C-N 3.28Å; E384-K386 PolarHBondContact O-N 3.26Å; K386-E390 PolarHBondContact O-N 2.75Å |
| 387 | K | 64.5 | Low | 53.6 | Low | 157 Ų | 157 | 132.1 Ų | 132.1 | 68% | 0.683 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70 | -31.7 | 175.8 | -73.8 | -178 | -179.9 | 173.8 | 0 | 113.2 | E383 E384 K391 | E383-K387 PolarHBondContact O-N 3.21Å; E384-K387 PolarHBondContact O-N 3.25Å; K387-K391 PolarHBondContact O-N 2.91Å |
| 388 | Q | 58 | Low | 53.8 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 56% | 0.556 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.1 | -47.7 | 177.7 | -156.4 | 93.6 | 17.2 | 0 | 0 | 111.1 | E384 N385 E390 K391 D392 | E384-Q388 PolarHBondContact O-N 2.86Å; N385-Q388 PolarHBondContact O-N 3.11Å; Q388-E390 VanDerWaalsContact C-N 3.27Å; Q388-E390 PolarHBondContact O-N 3.02Å; Q388-K391 PolarHBondContact O-N 3.47Å; Q388-K391 VanDerWaalsContact O-N 3.17Å; Q388-D392 PolarHBondContact O-N 3.35Å |
| 389 | V | 53 | Low | 54.1 | Low | 93 Ų | 93 | 129.2 Ų | 129.2 | 56% | 0.564 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.9 | -36.9 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | N385 K391 D392 V393 | N385-V389 WeakPolarHBondContact O-CG2 3.28Å; N385-V389 PolarHBondContact O-N 2.96Å; V389-K391 PolarHBondContact O-N 3.37Å; V389-D392 PolarHBondContact O-N 2.91Å; V389-V393 HydrophobicContact CG1-CG2 4.46Å; V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 3.1Å |
| 390 | E | 57.2 | Low | 54.2 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.2 | -32.5 | 179.6 | -132.5 | 173.3 | -165.8 | 0 | 0 | 113.1 | K386 Q388 K394 | K386-E390 PolarHBondContact O-N 2.75Å; Q388-E390 VanDerWaalsContact C-N 3.27Å; Q388-E390 PolarHBondContact O-N 3.02Å; E390-K394 PolarHBondContact O-N 3.06Å |
| 391 | K | 57.8 | Low | 54.2 | Low | 151 Ų | 151 | 124.1 Ų | 124.1 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.9 | -42.9 | 174.3 | -78.9 | -176.6 | 176.4 | 179.6 | 0 | 112 | K387 Q388 V389 V393 K394 Y395 | K387-K391 PolarHBondContact O-N 2.91Å; Q388-K391 PolarHBondContact O-N 3.47Å; Q388-K391 VanDerWaalsContact O-N 3.17Å; V389-K391 PolarHBondContact O-N 3.37Å; K391-V393 PolarHBondContact O-N 3.18Å; K391-K394 PolarHBondContact O-N 2.84Å; K391-Y395 PolarHBondContact O-N 3.2Å |
| 392 | D | 53.5 | Low | 54.1 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -37 | -177.4 | -67.5 | -16.3 | 0 | 0 | 0 | 111.9 | Q388 V389 K394 S396 | Q388-D392 PolarHBondContact O-N 3.35Å; V389-D392 PolarHBondContact O-N 2.91Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.32Å; D392-S396 PolarHBondContact O-N 2.94Å |
| 393 | V | 54 | Low | 53.8 | Low | 80 Ų | 80 | 124.7 Ų | 124.7 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.2 | -33.6 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | V389 K391 | V389-V393 HydrophobicContact CG1-CG2 4.46Å; V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 3.1Å; K391-V393 PolarHBondContact O-N 3.18Å |
| 394 | K | 53.2 | Low | 53.5 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.635 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.2 | -44.1 | -179.5 | -137.3 | -179 | -176.4 | -172.8 | 0 | 111.7 | E390 K391 D392 S396 R397 E398 | E390-K394 PolarHBondContact O-N 3.06Å; K391-K394 PolarHBondContact O-N 2.84Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.32Å; K394-S396 VanDerWaalsContact C-N 3.33Å; K394-S396 PolarHBondContact O-N 3.31Å; K394-R397 PolarHBondContact O-N 2.79Å; K394-E398 PolarHBondContact O-N 2.95Å |
| 395 | Y | 49 | Very low | 53.3 | Low | 164 Ų | 164 | 120 Ų | 120 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.9 | -39.9 | 176.3 | -97.2 | -84.8 | 0 | 0 | 0 | 112.7 | K391 R397 E398 D399 | K391-Y395 PolarHBondContact O-N 3.2Å; Y395-R397 PolarHBondContact O-N 3.31Å; Y395-E398 PolarHBondContact O-N 3.35Å; Y395-D399 PolarHBondContact O-N 3.07Å |
| 396 | S | 50.2 | Low | 53.2 | Low | 72 Ų | 72 | 120.1 Ų | 120.1 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66 | -23.3 | -179.8 | -165.2 | 0 | 0 | 0 | 0 | 113.6 | D392 K394 N400 | D392-S396 PolarHBondContact O-N 2.94Å; K394-S396 VanDerWaalsContact C-N 3.33Å; K394-S396 PolarHBondContact O-N 3.31Å; S396-N400 PolarHBondContact O-ND2 3.05Å |
| 397 | R | 50.5 | Low | 52.4 | Low | 183 Ų | 183 | 119.5 Ų | 119.5 | 69% | 0.691 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.3 | -39.9 | 175 | -75 | -173.6 | -176.4 | 178.7 | 2.2 | 112.5 | K394 Y395 N400 V401 | K394-R397 PolarHBondContact O-N 2.79Å; Y395-R397 PolarHBondContact O-N 3.31Å; R397-N400 PolarHBondContact O-N 2.87Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.44Å; R397-V401 PolarHBondContact O-N 3.1Å; R397-V401 VanDerWaalsContact O-N 3.13Å |
| 398 | E | 53.6 | Low | 51.6 | Low | 108 Ų | 108 | 121.5 Ų | 121.5 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -42.6 | -176.9 | -71.9 | 176.8 | -175.3 | 0 | 0 | 111.8 | K394 Y395 N400 V401 I402 | K394-E398 PolarHBondContact O-N 2.95Å; Y395-E398 PolarHBondContact O-N 3.35Å; E398-N400 VanDerWaalsContact C-N 3.33Å; E398-N400 PolarHBondContact O-N 2.82Å; E398-V401 PolarHBondContact O-N 3.35Å; E398-I402 WeakPolarHBondContact O-CG1 3.29Å; E398-I402 PolarHBondContact O-N 3.5Å; E398-I402 VanDerWaalsContact O-N 3.13Å |
| 399 | D | 52.2 | Low | 50.9 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.1 | -37.3 | 177.5 | -80.1 | -16.8 | 0 | 0 | 0 | 112.8 | Y395 K403 | Y395-D399 PolarHBondContact O-N 3.07Å; D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 PolarHBondContact O-N 3.1Å; D399-K403 VanDerWaalsContact O-N 3.13Å |
| 400 | N | 51.8 | Low | 50.8 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 52% | 0.519 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.4 | -34.3 | 178.4 | -78.5 | -39.7 | 0 | 0 | 0 | 112 | S396 R397 E398 V404 | S396-N400 PolarHBondContact O-ND2 3.05Å; R397-N400 PolarHBondContact O-N 2.87Å; E398-N400 VanDerWaalsContact C-N 3.33Å; E398-N400 PolarHBondContact O-N 2.82Å; N400-V404 VanDerWaalsContact O-CG2 3.32Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 3.08Å |
| 401 | V | 52.4 | Low | 50.4 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70 | -41.2 | 177.4 | 176.4 | 0 | 0 | 0 | 0 | 111 | R397 E398 K403 V404 I405 | R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.44Å; R397-V401 PolarHBondContact O-N 3.1Å; R397-V401 VanDerWaalsContact O-N 3.13Å; E398-V401 PolarHBondContact O-N 3.35Å; V401-K403 VanDerWaalsContact C-N 3.31Å; V401-K403 PolarHBondContact O-N 3.12Å; V401-V404 PolarHBondContact O-N 2.94Å; V401-I405 HydrophobicContact CG1-CD1 4.13Å; V401-I405 WeakPolarHBondContact O-CG1 3.32Å; V401-I405 PolarHBondContact O-N 3.27Å |
| 402 | I | 49.5 | Very low | 50 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.9 | -39.5 | 177.5 | -64.2 | 168.6 | 0 | 0 | 0 | 110.8 | E398 V404 I405 N406 | E398-I402 WeakPolarHBondContact O-CG1 3.29Å; E398-I402 PolarHBondContact O-N 3.5Å; E398-I402 VanDerWaalsContact O-N 3.13Å; I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 PolarHBondContact O-N 3.21Å; I402-I405 PolarHBondContact O-N 3.11Å; I402-N406 PolarHBondContact O-N 3.33Å |
| 403 | K | 44.8 | Very low | 49.8 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -36.5 | 179.9 | -151.5 | 177.5 | -174.1 | -176 | 0 | 112.6 | D399 V401 E407 | D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 PolarHBondContact O-N 3.1Å; D399-K403 VanDerWaalsContact O-N 3.13Å; V401-K403 VanDerWaalsContact C-N 3.31Å; V401-K403 PolarHBondContact O-N 3.12Å; K403-E407 PolarHBondContact O-N 3.14Å |
| 404 | V | 49 | Very low | 49.6 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 47% | 0.473 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69 | -39.7 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | N400 V401 I402 N406 E407 Y408 | N400-V404 VanDerWaalsContact O-CG2 3.32Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 3.08Å; V401-V404 PolarHBondContact O-N 2.94Å; I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 PolarHBondContact O-N 3.21Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.86Å; V404-E407 PolarHBondContact O-N 3.22Å; V404-Y408 HydrophobicContact CG1-CD2 4.02Å; V404-Y408 HydrophobicContact CG1-CE2 4.07Å; V404-Y408 WeakPolarHBondContact O-CD2 3.4Å; V404-Y408 PolarHBondContact O-N 2.8Å |
| 405 | I | 50.2 | Low | 49.3 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.5 | -38.2 | -180 | -64.8 | 167.3 | 0 | 0 | 0 | 111.4 | V401 I402 E407 Y408 S409 | V401-I405 HydrophobicContact CG1-CD1 4.13Å; V401-I405 WeakPolarHBondContact O-CG1 3.32Å; V401-I405 PolarHBondContact O-N 3.27Å; I402-I405 PolarHBondContact O-N 3.11Å; I405-E407 VanDerWaalsContact C-N 3.31Å; I405-E407 PolarHBondContact O-N 3.25Å; I405-Y408 PolarHBondContact O-N 2.96Å; I405-S409 PolarHBondContact O-N 3.05Å; I405-S409 PolarHBondContact O-OG 3.33Å |
| 406 | N | 50.1 | Low | 49.3 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.2 | -19.9 | 178.6 | -74.4 | -11.1 | 0 | 0 | 0 | 114.2 | I402 V404 | I402-N406 PolarHBondContact O-N 3.33Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.86Å |
| 407 | E | 46.9 | Very low | 49.3 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.6 | -14.9 | 173.7 | -79.3 | -178.4 | 173.3 | 0 | 0 | 113 | K403 V404 I405 | K403-E407 PolarHBondContact O-N 3.14Å; V404-E407 PolarHBondContact O-N 3.22Å; I405-E407 VanDerWaalsContact C-N 3.31Å; I405-E407 PolarHBondContact O-N 3.25Å |
| 408 | Y | 47.1 | Very low | 49.2 | Very low | 200 Ų | 200 | 119.3 Ų | 119.3 | 78% | 0.784 | 61% | 0.613 | S | S | * | * | | | trans | -108.4 | 3.7 | 178.6 | -76.9 | -80 | 0 | 0 | 0 | 114.4 | V404 I405 | V404-Y408 HydrophobicContact CG1-CD2 4.02Å; V404-Y408 HydrophobicContact CG1-CE2 4.07Å; V404-Y408 WeakPolarHBondContact O-CD2 3.4Å; V404-Y408 PolarHBondContact O-N 2.8Å; I405-Y408 PolarHBondContact O-N 2.96Å |
| 409 | S | 42.6 | Very low | 48.8 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 100% | 1 | 62% | 0.623 | S | S | * | * | | | trans | -97.1 | 0 | 172.6 | -48.8 | 0 | 0 | 0 | 0 | 110 | I405 | I405-S409 PolarHBondContact O-N 3.05Å; I405-S409 PolarHBondContact O-OG 3.33Å |