| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 42.9 | Very low | 229 Ų | 229 | 135.8 Ų | 135.8 | 100% | 1.128 | 78% | 0.779 | S | S | * | * | 0 | 98.2 | 0 | -74 | 170.5 | 141.1 | 0 | 0 | 106.6 | |||||
| 2 | Q | 36 | Very low | 42.9 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 66.6 | 116.7 | 108 | -102.8 | 162.2 | -30.8 | 0 | 0 | 111 | |||||
| 3 | Q | 42.9 | Very low | 43.2 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | cis | -148.9 | 135.2 | 25.8 | -72.6 | 163.3 | -22.2 | 0 | 0 | 109.4 | ||||
| 4 | G | 35.8 | Very low | 43.8 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | trans | -107.1 | 170.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | H | 41.8 | Very low | 44 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 88% | 0.88 | 71% | 0.714 | S | S | * | * | trans | 76.7 | 77.8 | 155.6 | -57.8 | -74.9 | 0 | 0 | 0 | 119.6 | ||||
| 6 | V | 48.7 | Very low | 44.3 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 86% | 0.855 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -154.2 | 30.4 | 144.4 | -150.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 7 | V | 44.9 | Very low | 44.8 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -125.4 | -12.5 | -179.2 | -165 | 0 | 0 | 0 | 0 | 114.7 | ||
| 8 | A | 43.3 | Very low | 45 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -90.5 | -6.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 9 | A | 47.8 | Very low | 45.1 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -101.2 | -6.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 10 | V | 47.1 | Very low | 45.3 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -90.9 | -30.4 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | F13 V14 | V10-F13 PolarHBondContact O-N 3.4Å; V10-V14 HydrophobicContact CG1-CG2 4.19Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.3Å; V10-V14 PolarHBondContact O-N 3.45Å |
| 11 | L | 42.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -62.7 | -41.9 | 177.4 | -91.6 | 95.2 | 0 | 0 | 0 | 115.5 | F13 L15 | L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å; L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.3Å; L11-L15 VanDerWaalsContact O-N 3.15Å |
| 12 | P | 43.3 | Very low | 45.9 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 49% | 0.487 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.6 | -25.6 | -179 | 26.7 | -31.6 | 0 | 0 | 0 | 112.4 | L16 | P12-L16 PolarHBondContact O-N 3.33Å; P12-L16 VanDerWaalsContact O-N 3.14Å |
| 13 | F | 47 | Very low | 46.6 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.9 | -34.8 | 178.2 | -146.6 | -95.6 | 0 | 0 | 0 | 112.2 | V10 L11 L17 | V10-F13 PolarHBondContact O-N 3.4Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å; F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.5Å; F13-L17 HydrophobicContact CE1-CD1 4Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.04Å; F13-L17 VanDerWaalsContact O-N 3.11Å |
| 14 | V | 51.6 | Low | 47 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.7 | -39.9 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | V10 L17 C18 | V10-V14 HydrophobicContact CG1-CG2 4.19Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.3Å; V10-V14 PolarHBondContact O-N 3.45Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-C18 PolarHBondContact O-N 3.25Å; V14-C18 PolarHBondContact O-SG 3.37Å |
| 15 | L | 46.5 | Very low | 47.6 | Very low | 101 Ų | 101 | 107.8 Ų | 107.8 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -40.1 | 175.5 | -75.7 | 165.8 | 0 | 0 | 0 | 112.2 | L11 C18 F19 | L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.3Å; L11-L15 VanDerWaalsContact O-N 3.15Å; L15-C18 PolarHBondContact O-N 3.42Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.22Å |
| 16 | L | 49.5 | Very low | 47.9 | Very low | 104 Ų | 104 | 101.3 Ų | 101.3 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 176.5 | -130.8 | 94.4 | 0 | 0 | 0 | 111.9 | P12 C18 F19 Y20 | P12-L16 PolarHBondContact O-N 3.33Å; P12-L16 VanDerWaalsContact O-N 3.14Å; L16-C18 VanDerWaalsContact C-N 3.34Å; L16-F19 PolarHBondContact O-N 2.69Å; L16-Y20 HydrophobicContact CD2-CD2 4.31Å; L16-Y20 HydrophobicContact CD2-CE2 3.85Å; L16-Y20 HydrophobicContact CG-CD2 4.44Å; L16-Y20 HydrophobicContact CG-CE2 4.28Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.24Å; L16-Y20 PolarHBondContact O-N 2.67Å |
| 17 | L | 51.5 | Low | 48 | Very low | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.9 | -34.8 | 175.9 | -79.7 | 164.2 | 0 | 0 | 0 | 112.4 | F13 V14 A21 | F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.5Å; F13-L17 HydrophobicContact CE1-CD1 4Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.04Å; F13-L17 VanDerWaalsContact O-N 3.11Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.02Å |
| 18 | C | 49.3 | Very low | 48.3 | Very low | 64 Ų | 64 | 99.3 Ų | 99.3 | 43% | 0.432 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -44.9 | 170.7 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | V14 L15 L16 Y20 A21 D22 | V14-C18 PolarHBondContact O-N 3.25Å; V14-C18 PolarHBondContact O-SG 3.37Å; L15-C18 PolarHBondContact O-N 3.42Å; L16-C18 VanDerWaalsContact C-N 3.34Å; C18-Y20 PolarHBondContact O-N 2.02Å; C18-A21 PolarHBondContact O-N 2.7Å; C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.45Å |
| 19 | F | 46.3 | Very low | 49 | Very low | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.632 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 177.7 | -92.1 | -83.3 | 0 | 0 | 0 | 113.2 | L15 L16 V23 | L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.22Å; L16-F19 PolarHBondContact O-N 2.69Å; F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.53Å; F19-V23 VanDerWaalsContact O-N 3.1Å |
| 20 | Y | 49.2 | Very low | 50.3 | Low | 161 Ų | 161 | 100 Ų | 100 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.7 | -36.4 | 175.3 | -85.4 | -79.6 | 0 | 0 | 0 | 112.4 | L16 C18 V23 T24 | L16-Y20 HydrophobicContact CD2-CD2 4.31Å; L16-Y20 HydrophobicContact CD2-CE2 3.85Å; L16-Y20 HydrophobicContact CG-CD2 4.44Å; L16-Y20 HydrophobicContact CG-CE2 4.28Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.24Å; L16-Y20 PolarHBondContact O-N 2.67Å; C18-Y20 PolarHBondContact O-N 2.02Å; Y20-V23 PolarHBondContact O-N 2.87Å; Y20-T24 WeakPolarHBondContact O-CG2 3.43Å; Y20-T24 PolarHBondContact O-N 3.44Å; Y20-T24 PolarHBondContact O-OG1 3.24Å; Y20-T24 VanDerWaalsContact O-OG1 3.11Å |
| 21 | A | 50.7 | Low | 52 | Low | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L17 C18 V23 T24 L25 | L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.02Å; C18-A21 PolarHBondContact O-N 2.7Å; A21-V23 PolarHBondContact O-N 3.22Å; A21-T24 PolarHBondContact O-N 3.36Å; A21-T24 PolarHBondContact O-OG1 3.36Å; A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.17Å |
| 22 | D | 49.4 | Very low | 54 | Low | 104 Ų | 104 | 94.7 Ų | 94.7 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 177.8 | -75.7 | -32.4 | 0 | 0 | 0 | 112.8 | C18 A26 | C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.45Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.33Å |
| 23 | V | 50.5 | Low | 55.9 | Low | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.4 | -38.7 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F19 Y20 A21 A26 Q27 | F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.53Å; F19-V23 VanDerWaalsContact O-N 3.1Å; Y20-V23 PolarHBondContact O-N 2.87Å; A21-V23 PolarHBondContact O-N 3.22Å; V23-A26 PolarHBondContact O-N 2.9Å; V23-Q27 WeakPolarHBondContact O-CG 3.33Å; V23-Q27 PolarHBondContact O-N 3.11Å; V23-Q27 VanDerWaalsContact O-N 3.17Å |
| 24 | T | 50.5 | Low | 57.8 | Low | 89 Ų | 89 | 93.7 Ų | 93.7 | 55% | 0.546 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -33.4 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | Y20 A21 A28 | Y20-T24 WeakPolarHBondContact O-CG2 3.43Å; Y20-T24 PolarHBondContact O-N 3.44Å; Y20-T24 PolarHBondContact O-OG1 3.24Å; Y20-T24 VanDerWaalsContact O-OG1 3.11Å; A21-T24 PolarHBondContact O-N 3.36Å; A21-T24 PolarHBondContact O-OG1 3.36Å; T24-A28 PolarHBondContact O-N 3.05Å |
| 25 | L | 49.4 | Very low | 59.2 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.9 | -35 | 175.5 | -155.5 | 73.5 | 0 | 0 | 0 | 111.7 | A21 A28 L29 | A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.17Å; L25-A28 PolarHBondContact O-N 3.44Å; L25-L29 WeakPolarHBondContact O-CD1 3.5Å; L25-L29 PolarHBondContact O-N 3.44Å |
| 26 | A | 47.4 | Very low | 61 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D22 V23 A28 L29 | D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.33Å; V23-A26 PolarHBondContact O-N 2.9Å; A26-A28 VanDerWaalsContact C-N 3.33Å; A26-L29 PolarHBondContact O-N 3.48Å |
| 27 | Q | 49.5 | Very low | 62.9 | Low | 141 Ų | 141 | 93.8 Ų | 93.8 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.3 | -29 | 173.5 | -72.1 | -177.4 | -45.3 | 0 | 0 | 112.5 | V23 L29 T30 | V23-Q27 WeakPolarHBondContact O-CG 3.33Å; V23-Q27 PolarHBondContact O-N 3.11Å; V23-Q27 VanDerWaalsContact O-N 3.17Å; Q27-L29 PolarHBondContact O-N 3.01Å; Q27-T30 PolarHBondContact O-OG1 3.48Å |
| 28 | A | 52.4 | Low | 64.7 | Low | 79 Ų | 79 | 91.3 Ų | 91.3 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T24 L25 A26 | T24-A28 PolarHBondContact O-N 3.05Å; L25-A28 PolarHBondContact O-N 3.44Å; A26-A28 VanDerWaalsContact C-N 3.33Å |
| 29 | L | 58.7 | Low | 66.7 | Low | 103 Ų | 103 | 92.7 Ų | 92.7 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 0.6 | -178.4 | -82.1 | 155.8 | 0 | 0 | 0 | 113.9 | L25 A26 Q27 R75 | L25-L29 WeakPolarHBondContact O-CD1 3.5Å; L25-L29 PolarHBondContact O-N 3.44Å; A26-L29 PolarHBondContact O-N 3.48Å; Q27-L29 PolarHBondContact O-N 3.01Å; L29-R75 WeakPolarHBondContact O-CD 3.17Å |
| 30 | T | 73.3 | Confident | 68.8 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | trans | -121.6 | 147.6 | -177.9 | 63.6 | 0 | 0 | 0 | 0 | 110.9 | Q27 P32 | Q27-T30 PolarHBondContact O-OG1 3.48Å; T30-P32 WeakPolarHBondContact O-CD 3.4Å | ||
| 31 | C | 84.5 | Confident | 70.5 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 10% | 0.095 | 51% | 0.509 | C | S | . | . | trans | -108.6 | 75.7 | 177.8 | -68.3 | 0 | 0 | 0 | 0 | 109.7 | E33 E34 C71 T72 | C31-E33 PolarHBondContact O-N 3.1Å; C31-E34 HydrophobicContact CB-CB 4.17Å; C31-E34 HydrophobicContact CB-CG 4.39Å; C31-E34 PolarHBondContact O-N 3.32Å; C31-C71 VanDerWaalsContact CA-SG 3.53Å; C31-C71 HydrophobicContact CB-CB 3.74Å; C31-C71 WeakPolarHBondContact CB-SG 3.37Å; C31-C71 WeakPolarHBondContact SG-CB 3Å; C31-C71 PolarHBondContact SG-O 3.42Å; C31-C71 CovalentContact SG-SG 2.05Å; C31-C71 PolarHBondContact SG-SG 2.9Å; C31-T72 PolarHBondContact SG-N 3.44Å | ||
| 32 | P | 83.4 | Confident | 71.8 | Confident | 92 Ų | 92 | 85.6 Ų | 85.6 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.6 | -172 | 24.4 | -34.6 | 0 | 0 | 0 | 113.2 | T30 E34 V35 | T30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-E34 PolarHBondContact O-N 2.94Å; P32-V35 WeakPolarHBondContact O-CB 3.05Å; P32-V35 WeakPolarHBondContact O-CG2 3.49Å; P32-V35 PolarHBondContact O-N 3.32Å |
| 33 | E | 83.1 | Confident | 73.3 | Confident | 188 Ų | 188 | 90.1 Ų | 90.1 | 88% | 0.879 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -71.5 | -15.3 | 178.3 | -60 | -175.9 | 165.3 | 0 | 0 | 113.5 | C31 | C31-E33 PolarHBondContact O-N 3.1Š|
| 34 | E | 87.7 | Confident | 74.6 | Confident | 14 Ų | 14 | 90.9 Ų | 90.9 | 7% | 0.065 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -102.3 | 0.1 | -178.5 | -68.3 | 179.7 | 175.7 | 0 | 0 | 113.2 | C31 P32 G36 C51 C69 P70 C71 T72 | C31-E34 HydrophobicContact CB-CB 4.17Å; C31-E34 HydrophobicContact CB-CG 4.39Å; C31-E34 PolarHBondContact O-N 3.32Å; P32-E34 PolarHBondContact O-N 2.94Å; E34-G36 PolarHBondContact O-N 3.11Å; E34-C51 HydrophobicContact CB-CB 4.25Å; E34-C69 VanDerWaalsContact OE1-CA 3.22Å; E34-C69 WeakPolarHBondContact OE1-CA 3.49Å; E34-P70 WeakPolarHBondContact OE1-CD 2.97Å; E34-C71 WeakPolarHBondContact OE1-CA 3.07Å; E34-C71 WeakPolarHBondContact OE1-CB 3.22Å; E34-C71 PolarHBondContact OE1-N 3.46Å; E34-T72 PolarHBondContact OE1-N 2.96Å; E34-T72 WeakPolarHBondContact OE2-CA 3.33Å; E34-T72 WeakPolarHBondContact OE2-CB 3.44Å; E34-T72 PolarHBondContact OE2-N 3.25Å; E34-T72 PolarHBondContact OE2-OG1 3.02Å |
| 35 | V | 80.9 | Confident | 76.2 | Confident | 115 Ų | 115 | 86.6 Ų | 86.6 | 70% | 0.697 | 49% | 0.485 | S | S | * | . | trans | -67.9 | 119.1 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | P32 | P32-V35 WeakPolarHBondContact O-CB 3.05Å; P32-V35 WeakPolarHBondContact O-CG2 3.49Å; P32-V35 PolarHBondContact O-N 3.32Å | ||
| 36 | G | 84.5 | Confident | 78 | Confident | 42 Ų | 42 | 86 Ų | 86 | 43% | 0.433 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 144.7 | 174.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E34 K38 | E34-G36 PolarHBondContact O-N 3.11Å; G36-K38 PolarHBondContact O-N 3.42Å |
| 37 | T | 89.1 | Confident | 79.8 | Confident | 130 Ų | 130 | 87.5 Ų | 87.5 | 80% | 0.798 | 49% | 0.493 | S | S | * | . | trans | -71.5 | 126.9 | 176.6 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | T49 | T37-T49 CarbonylContact C-O 3.56Å; T37-T49 VanDerWaalsContact CA-O 3.3Å; T37-T49 WeakPolarHBondContact CA-O 3.5Å | ||
| 38 | K | 89.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 24% | 0.235 | 47% | 0.468 | C | S | . | . | trans | -106.4 | 143.2 | 171.3 | -60.8 | -68.7 | 178.2 | 158.3 | 0 | 109.1 | G36 F40 T49 C51 K68 | G36-K38 PolarHBondContact O-N 3.42Å; K38-F40 HydrophobicContact CB-CD2 4.46Å; K38-F40 HydrophobicContact CB-CE2 3.68Å; K38-F40 HydrophobicContact CB-CZ 3.86Å; K38-F40 HydrophobicContact CG-CZ 4.49Å; K38-T49 PolarHBondContact N-O 2.76Å; K38-T49 CarbonylContact O-C 3.57Å; K38-T49 WeakPolarHBondContact O-CA 3.03Å; K38-C51 VanDerWaalsContact CE-SG 3.51Å; K38-K68 PolarHBondContact NZ-O 2.85Å | ||
| 39 | S | 90.4 | Very high | 83.6 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | trans | -111.8 | 140.3 | 166.2 | 60.4 | 0 | 0 | 0 | 0 | 108.1 | K68 | S39-K68 WeakPolarHBondContact O-CD 3.38Å; S39-K68 WeakPolarHBondContact O-CE 3.49Å; S39-K68 PolarHBondContact O-NZ 3.1Å | ||
| 40 | F | 89.8 | Confident | 85.2 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 5% | 0.053 | 44% | 0.444 | C | S | . | . | trans | -121.6 | 144 | 175.1 | -56.9 | -92.5 | 0 | 0 | 0 | 109.6 | K38 L45 K48 L54 E64 K68 | K38-F40 HydrophobicContact CB-CD2 4.46Å; K38-F40 HydrophobicContact CB-CE2 3.68Å; K38-F40 HydrophobicContact CB-CZ 3.86Å; K38-F40 HydrophobicContact CG-CZ 4.49Å; F40-L45 HydrophobicContact CB-CB 3.35Å; F40-L45 HydrophobicContact CB-CD1 4.33Å; F40-L45 HydrophobicContact CB-CG 4.5Å; F40-L45 HydrophobicContact CD1-CB 3.95Å; F40-L45 HydrophobicContact CD1-CD1 3.54Å; F40-L45 HydrophobicContact CD1-CG 4.39Å; F40-L45 HydrophobicContact CD2-CB 4.12Å; F40-L45 HydrophobicContact CE1-CD1 4.04Å; F40-L45 HydrophobicContact CG-CB 3.56Å; F40-L45 HydrophobicContact CG-CD1 4.06Å; F40-L45 HydrophobicContact CG-CG 4.47Å; F40-K48 HydrophobicContact CD2-CB 3.83Å; F40-K48 WeakPolarHBondContact CD2-O 3.2Å; F40-K48 HydrophobicContact CE2-CB 3.72Å; F40-L54 HydrophobicContact CE1-CD2 4.43Å; F40-L54 HydrophobicContact CZ-CD1 4.43Å; F40-L54 HydrophobicContact CZ-CD2 4.2Å; F40-E64 VanDerWaalsContact CA-OE1 3.27Å; F40-E64 WeakPolarHBondContact CA-OE1 3.06Å; F40-E64 HydrophobicContact CD1-CG 4.09Å; F40-K68 HydrophobicContact CD1-CB 4.46Å; F40-K68 HydrophobicContact CD1-CD 3.77Å; F40-K68 HydrophobicContact CE1-CB 3.86Å; F40-K68 HydrophobicContact CE1-CD 3.99Å; F40-K68 HydrophobicContact CE1-CG 4.47Å | ||
| 41 | V | 86 | Confident | 86.2 | Confident | 126 Ų | 126 | 74.9 Ų | 74.9 | 76% | 0.764 | 42% | 0.42 | S | S | * | . | trans | -94.4 | -31.9 | -176.9 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | E64 | V41-E64 VanDerWaalsContact N-CD 3.31Å; V41-E64 PolarHBondContact N-OE1 3.14Å; V41-E64 PolarHBondContact N-OE2 3.42Å; V41-E64 VanDerWaalsContact N-OE2 3.08Å | ||
| 42 | Q | 77.5 | Confident | 86.5 | Confident | 72 Ų | 72 | 81.7 Ų | 81.7 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -67.7 | 136.9 | 178.3 | -72.1 | -167.3 | -1.2 | 0 | 0 | 111.3 | Q44 L45 V46 E64 | Q42-Q44 PolarHBondContact O-N 3.15Å; Q42-Q44 VanDerWaalsContact O-N 3.13Å; Q42-L45 PolarHBondContact O-N 3.2Å; Q42-V46 PolarHBondContact O-N 3.44Å; Q42-E64 VanDerWaalsContact CB-OE2 3.23Å; Q42-E64 WeakPolarHBondContact CB-OE2 3.17Å; Q42-E64 HydrophobicContact CG-CB 4.21Å; Q42-E64 VanDerWaalsContact CG-OE2 3.27Å; Q42-E64 WeakPolarHBondContact CG-OE2 3.23Å; Q42-E64 PolarHBondContact N-OE2 2.87Å |
| 43 | R | 80.7 | Confident | 86.9 | Confident | 198 Ų | 198 | 81 Ų | 81 | 75% | 0.747 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.3 | -175.6 | -170.5 | 179.6 | -172 | 148.4 | 2.2 | 112.7 | L45 V46 | R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.44Å; R43-V46 WeakPolarHBondContact O-CG1 3.34Å |
| 44 | Q | 78 | Confident | 87.2 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.1 | 178.7 | -59.4 | 95.9 | -43.3 | 0 | 0 | 113.2 | Q42 I62 | Q42-Q44 PolarHBondContact O-N 3.15Å; Q42-Q44 VanDerWaalsContact O-N 3.13Å; Q44-I62 HydrophobicContact CB-CD1 3.75Å; Q44-I62 HydrophobicContact CG-CD1 4.41Å |
| 45 | L | 84.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -6.6 | -175 | -60.5 | -177.1 | 0 | 0 | 0 | 113.6 | F40 Q42 R43 S47 K48 L54 E58 I62 E64 A65 | F40-L45 HydrophobicContact CB-CB 3.35Å; F40-L45 HydrophobicContact CB-CD1 4.33Å; F40-L45 HydrophobicContact CB-CG 4.5Å; F40-L45 HydrophobicContact CD1-CB 3.95Å; F40-L45 HydrophobicContact CD1-CD1 3.54Å; F40-L45 HydrophobicContact CD1-CG 4.39Å; F40-L45 HydrophobicContact CD2-CB 4.12Å; F40-L45 HydrophobicContact CE1-CD1 4.04Å; F40-L45 HydrophobicContact CG-CB 3.56Å; F40-L45 HydrophobicContact CG-CD1 4.06Å; F40-L45 HydrophobicContact CG-CG 4.47Å; Q42-L45 PolarHBondContact O-N 3.2Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.44Å; L45-S47 PolarHBondContact O-N 3.05Å; L45-K48 HydrophobicContact CB-CG 4.46Å; L45-K48 HydrophobicContact CD2-CG 4.31Å; L45-K48 VanDerWaalsContact O-CB 3.24Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 WeakPolarHBondContact O-CG 3.39Å; L45-K48 PolarHBondContact O-N 3Å; L45-L54 HydrophobicContact CD1-CD2 4.44Å; L45-L54 HydrophobicContact CD2-CD2 3.71Å; L45-E58 HydrophobicContact CD2-CB 4.11Å; L45-E58 HydrophobicContact CD2-CG 3.88Å; L45-I62 HydrophobicContact CD1-CB 4.42Å; L45-I62 HydrophobicContact CD1-CD1 4.4Å; L45-I62 HydrophobicContact CD1-CG2 3.56Å; L45-I62 HydrophobicContact CD2-CD1 3.8Å; L45-I62 HydrophobicContact CG-CD1 3.95Å; L45-I62 HydrophobicContact CG-CG2 4.2Å; L45-E64 HydrophobicContact CD1-CB 4.28Å; L45-A65 HydrophobicContact CD1-CB 3.86Å |
| 46 | V | 85.9 | Confident | 87.6 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 59% | 0.588 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24 | -173.1 | 74.4 | 0 | 0 | 0 | 0 | 114 | Q42 R43 | Q42-V46 PolarHBondContact O-N 3.44Å; R43-V46 WeakPolarHBondContact O-CG1 3.34Å |
| 47 | S | 86.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -9.2 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 114 | L45 | L45-S47 PolarHBondContact O-N 3.05Š|
| 48 | K | 89.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | trans | -88.2 | 128.8 | -177.9 | -50.4 | -72.7 | -178.6 | 147.1 | 0 | 109.2 | F40 L45 M53 E58 | F40-K48 HydrophobicContact CD2-CB 3.83Å; F40-K48 WeakPolarHBondContact CD2-O 3.2Å; F40-K48 HydrophobicContact CE2-CB 3.72Å; L45-K48 HydrophobicContact CB-CG 4.46Å; L45-K48 HydrophobicContact CD2-CG 4.31Å; L45-K48 VanDerWaalsContact O-CB 3.24Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 WeakPolarHBondContact O-CG 3.39Å; L45-K48 PolarHBondContact O-N 3Å; K48-M53 HydrophobicContact CB-CB 4.29Å; K48-M53 HydrophobicContact CD-CB 3.65Å; K48-M53 HydrophobicContact CD-CE 4.24Å; K48-M53 WeakPolarHBondContact CD-O 3.49Å; K48-M53 PolarHBondContact NZ-O 3.48Å; K48-E58 WeakPolarHBondContact CE-OE1 3.46Å; K48-E58 WeakPolarHBondContact CE-OE2 3.44Å; K48-E58 VanDerWaalsContact NZ-CD 3.34Å; K48-E58 IonicContact NZ-OE1 2.79Å; K48-E58 PolarHBondContact NZ-OE1 2.91Å; K48-E58 IonicContact NZ-OE2 3.04Å; K48-E58 PolarHBondContact NZ-OE2 2.77Å | ||
| 49 | T | 91.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 67 Ų | 67 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -111.4 | -0.2 | -179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | T37 K38 M53 | T37-T49 CarbonylContact C-O 3.56Å; T37-T49 VanDerWaalsContact CA-O 3.3Å; T37-T49 WeakPolarHBondContact CA-O 3.5Å; K38-T49 PolarHBondContact N-O 2.76Å; K38-T49 CarbonylContact O-C 3.57Å; K38-T49 WeakPolarHBondContact O-CA 3.03Å; T49-M53 PolarHBondContact N-SD 3.08Å; T49-M53 PolarHBondContact OG1-SD 3.04Å; T49-M53 VanDerWaalsContact OG1-SD 3.4Å | ||
| 50 | S | 93.3 | Very high | 87.6 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -153.9 | 161.2 | 175.3 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | E52 M53 | S50-E52 PolarHBondContact O-N 2.79Å; S50-M53 PolarHBondContact O-N 2.79Å |
| 51 | C | 93.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.02 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -63.6 | -28.8 | 174.9 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | E34 K38 M53 L54 C69 T72 | E34-C51 HydrophobicContact CB-CB 4.25Å; K38-C51 VanDerWaalsContact CE-SG 3.51Å; C51-M53 PolarHBondContact O-N 3.05Å; C51-L54 VanDerWaalsContact O-CB 3.31Å; C51-L54 WeakPolarHBondContact O-CB 3.23Å; C51-L54 WeakPolarHBondContact O-CG 3.37Å; C51-L54 PolarHBondContact O-N 3.21Å; C51-C69 WeakPolarHBondContact CA-SG 3.04Å; C51-C69 HydrophobicContact CB-CB 3.58Å; C51-C69 WeakPolarHBondContact CB-SG 3.23Å; C51-C69 WeakPolarHBondContact SG-CB 3.1Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.05Å; C51-T72 HydrophobicContact CB-CG2 4.25Å; C51-T72 WeakPolarHBondContact O-CG2 3.41Å |
| 52 | E | 90.2 | Very high | 87.3 | Confident | 158 Ų | 158 | 66.9 Ų | 66.9 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65.3 | -19.5 | 178.3 | -61.5 | 179.2 | 166.7 | 0 | 0 | 113.2 | S50 L54 | S50-E52 PolarHBondContact O-N 2.79Å; E52-L54 VanDerWaalsContact C-N 3.3Å |
| 53 | M | 90.7 | Very high | 87.9 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -82.5 | -7.2 | 175.7 | -61.2 | 175.2 | 71.8 | 0 | 0 | 113.1 | K48 T49 S50 C51 | K48-M53 HydrophobicContact CB-CB 4.29Å; K48-M53 HydrophobicContact CD-CB 3.65Å; K48-M53 HydrophobicContact CD-CE 4.24Å; K48-M53 WeakPolarHBondContact CD-O 3.49Å; K48-M53 PolarHBondContact NZ-O 3.48Å; T49-M53 PolarHBondContact N-SD 3.08Å; T49-M53 PolarHBondContact OG1-SD 3.04Å; T49-M53 VanDerWaalsContact OG1-SD 3.4Å; S50-M53 PolarHBondContact O-N 2.79Å; C51-M53 PolarHBondContact O-N 3.05Å |
| 54 | L | 90.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | trans | -72.8 | 138.2 | -178.8 | -67.1 | 173.5 | 0 | 0 | 0 | 111.5 | F40 L45 C51 E52 E58 A65 C69 I76 | F40-L54 HydrophobicContact CE1-CD2 4.43Å; F40-L54 HydrophobicContact CZ-CD1 4.43Å; F40-L54 HydrophobicContact CZ-CD2 4.2Å; L45-L54 HydrophobicContact CD1-CD2 4.44Å; L45-L54 HydrophobicContact CD2-CD2 3.71Å; C51-L54 VanDerWaalsContact O-CB 3.31Å; C51-L54 WeakPolarHBondContact O-CB 3.23Å; C51-L54 WeakPolarHBondContact O-CG 3.37Å; C51-L54 PolarHBondContact O-N 3.21Å; E52-L54 VanDerWaalsContact C-N 3.3Å; L54-E58 VanDerWaalsContact CA-OE2 3.22Å; L54-E58 WeakPolarHBondContact CA-OE2 3.27Å; L54-E58 HydrophobicContact CD2-CB 4.31Å; L54-A65 HydrophobicContact CD1-CB 4.04Å; L54-A65 HydrophobicContact CD2-CB 3.94Å; L54-C69 HydrophobicContact CD1-CB 3.41Å; L54-C69 VanDerWaalsContact CD1-CB 3.41Å; L54-C69 WeakPolarHBondContact CD1-SG 3Å; L54-I76 WeakPolarHBondContact O-CD1 3.14Å | ||
| 55 | T | 89.7 | Confident | 89 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 37% | 0.368 | 29% | 0.287 | S | S | . | . | trans | -90.7 | 166.8 | 173.3 | 72.2 | 0 | 0 | 0 | 0 | 111.3 | D57 E58 C59 | T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.46Å; T55-E58 PolarHBondContact N-OE2 2.69Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CG 3.23Å; T55-E58 WeakPolarHBondContact OG1-CG 3.24Å; T55-E58 PolarHBondContact OG1-N 3.32Å; T55-E58 VanDerWaalsContact OG1-N 3.16Å; T55-C59 WeakPolarHBondContact O-CB 3.22Å; T55-C59 PolarHBondContact O-N 3.13Å | ||
| 56 | R | 87.6 | Confident | 89.5 | Confident | 89 Ų | 89 | 61 Ų | 61 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 173.9 | -174.3 | 178.5 | 177.5 | 95.9 | 3.4 | 111.9 | C59 L60 I76 V77 | R56-C59 CarbonylContact O-C 3.55Å; R56-C59 PolarHBondContact O-N 3.37Å; R56-L60 HydrophobicContact CG-CD1 3.86Å; R56-L60 HydrophobicContact CG-CG 4.29Å; R56-L60 WeakPolarHBondContact O-CB 3.34Å; R56-L60 VanDerWaalsContact O-CG 3.24Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.49Å; R56-I76 HydrophobicContact CB-CG2 3.54Å; R56-I76 HydrophobicContact CG-CG2 3.95Å; R56-I76 PolarHBondContact NH1-O 2.87Å; R56-V77 PolarHBondContact NH1-O 3.24Å; R56-V77 PolarHBondContact NH2-O 2.78Å; R56-V77 VanDerWaalsContact NH2-O 3.1Å |
| 57 | D | 83.2 | Confident | 89.8 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 32% | 0.316 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 179.3 | -62.6 | -36.1 | 0 | 0 | 0 | 111.3 | T55 C59 L60 F61 | T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.46Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.43Å; D57-L60 PolarHBondContact O-N 3.48Å; D57-L60 VanDerWaalsContact O-N 3.14Å; D57-F61 HydrophobicContact CB-CD2 4.13Å; D57-F61 HydrophobicContact CB-CE2 4.42Å; D57-F61 WeakPolarHBondContact O-CB 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.42Å; D57-F61 PolarHBondContact O-N 3.47Å |
| 58 | E | 90.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 60 Ų | 60 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 173.8 | -69.7 | 163.3 | -178.8 | 0 | 0 | 111 | L45 K48 L54 T55 L60 I62 | L45-E58 HydrophobicContact CD2-CB 4.11Å; L45-E58 HydrophobicContact CD2-CG 3.88Å; K48-E58 WeakPolarHBondContact CE-OE1 3.46Å; K48-E58 WeakPolarHBondContact CE-OE2 3.44Å; K48-E58 VanDerWaalsContact NZ-CD 3.34Å; K48-E58 IonicContact NZ-OE1 2.79Å; K48-E58 PolarHBondContact NZ-OE1 2.91Å; K48-E58 IonicContact NZ-OE2 3.04Å; K48-E58 PolarHBondContact NZ-OE2 2.77Å; L54-E58 VanDerWaalsContact CA-OE2 3.22Å; L54-E58 WeakPolarHBondContact CA-OE2 3.27Å; L54-E58 HydrophobicContact CD2-CB 4.31Å; T55-E58 PolarHBondContact N-OE2 2.69Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CG 3.23Å; T55-E58 WeakPolarHBondContact OG1-CG 3.24Å; T55-E58 PolarHBondContact OG1-N 3.32Å; T55-E58 VanDerWaalsContact OG1-N 3.16Å; E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.43Å; E58-I62 HydrophobicContact CB-CD1 4.18Å; E58-I62 HydrophobicContact CG-CD1 3.99Å; E58-I62 WeakPolarHBondContact O-CA 3.4Å; E58-I62 VanDerWaalsContact O-CB 3.26Å; E58-I62 WeakPolarHBondContact O-CB 3.08Å; E58-I62 PolarHBondContact O-N 2.99Å |
| 59 | C | 92.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.9 | -23.5 | 175.5 | -77.9 | 0 | 0 | 0 | 0 | 114.6 | T55 R56 D57 R66 C73 V77 | T55-C59 WeakPolarHBondContact O-CB 3.22Å; T55-C59 PolarHBondContact O-N 3.13Å; R56-C59 CarbonylContact O-C 3.55Å; R56-C59 PolarHBondContact O-N 3.37Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.43Å; C59-R66 WeakPolarHBondContact O-CD 3.28Å; C59-R66 WeakPolarHBondContact O-CG 3.27Å; C59-C73 WeakPolarHBondContact CA-SG 3.46Å; C59-C73 HydrophobicContact CB-CB 3.45Å; C59-C73 VanDerWaalsContact CB-CB 3.45Å; C59-C73 WeakPolarHBondContact CB-SG 3.46Å; C59-C73 WeakPolarHBondContact SG-CA 3.31Å; C59-C73 WeakPolarHBondContact SG-CB 3.34Å; C59-C73 CovalentContact SG-SG 2.05Å; C59-C73 PolarHBondContact SG-SG 2.94Å; C59-V77 HydrophobicContact CB-CG2 4.23Å |
| 60 | L | 86.9 | Confident | 90.6 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -84.2 | -42.5 | 176.3 | -76.1 | 171.7 | 0 | 0 | 0 | 112 | R56 D57 E58 V77 | R56-L60 HydrophobicContact CG-CD1 3.86Å; R56-L60 HydrophobicContact CG-CG 4.29Å; R56-L60 WeakPolarHBondContact O-CB 3.34Å; R56-L60 VanDerWaalsContact O-CG 3.24Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.49Å; D57-L60 PolarHBondContact O-N 3.48Å; D57-L60 VanDerWaalsContact O-N 3.14Å; E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.43Å; L60-V77 HydrophobicContact CD2-CG1 4.06Å; L60-V77 HydrophobicContact CD2-CG2 3.82Å; L60-V77 HydrophobicContact CG-CG2 4.13Å |
| 61 | F | 84.5 | Confident | 90.6 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 66% | 0.658 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -109.9 | -17.4 | -165.1 | -60.2 | -66.6 | 0 | 0 | 0 | 114.2 | D57 | D57-F61 HydrophobicContact CB-CD2 4.13Å; D57-F61 HydrophobicContact CB-CE2 4.42Å; D57-F61 WeakPolarHBondContact O-CB 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.42Å; D57-F61 PolarHBondContact O-N 3.47Å |
| 62 | I | 85.7 | Confident | 90.6 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | trans | -104.2 | 120.1 | -178.1 | -60.2 | 174.1 | 0 | 0 | 0 | 111.3 | Q44 L45 E58 E64 A65 R66 | Q44-I62 HydrophobicContact CB-CD1 3.75Å; Q44-I62 HydrophobicContact CG-CD1 4.41Å; L45-I62 HydrophobicContact CD1-CB 4.42Å; L45-I62 HydrophobicContact CD1-CD1 4.4Å; L45-I62 HydrophobicContact CD1-CG2 3.56Å; L45-I62 HydrophobicContact CD2-CD1 3.8Å; L45-I62 HydrophobicContact CG-CD1 3.95Å; L45-I62 HydrophobicContact CG-CG2 4.2Å; E58-I62 HydrophobicContact CB-CD1 4.18Å; E58-I62 HydrophobicContact CG-CD1 3.99Å; E58-I62 WeakPolarHBondContact O-CA 3.4Å; E58-I62 VanDerWaalsContact O-CB 3.26Å; E58-I62 WeakPolarHBondContact O-CB 3.08Å; E58-I62 PolarHBondContact O-N 2.99Å; I62-E64 HydrophobicContact CG2-CB 4.19Å; I62-A65 HydrophobicContact CB-CB 4.14Å; I62-A65 HydrophobicContact CG2-CB 4.2Å; I62-A65 PolarHBondContact O-N 3.32Å; I62-R66 PolarHBondContact O-N 2.96Å | ||
| 63 | H | 89.7 | Confident | 90.7 | Very high | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 178.7 | -166.4 | -81.3 | 0 | 0 | 0 | 112 | A65 R66 D67 | H63-A65 VanDerWaalsContact C-N 3.3Å; H63-A65 PolarHBondContact O-N 3.26Å; H63-R66 PolarHBondContact O-N 3.46Å; H63-D67 VanDerWaalsContact CE1-CG 3.42Å; H63-D67 IonicContact CE1-OD1 2.69Å; H63-D67 PolarHBondContact CE1-OD1 3.41Å; H63-D67 IonicContact CE1-OD2 3.85Å; H63-D67 PolarHBondContact CE1-OD2 3.26Å; H63-D67 IonicContact CG-OD2 2.97Å; H63-D67 VanDerWaalsContact ND1-CG 3.29Å; H63-D67 IonicContact ND1-OD1 2.69Å; H63-D67 PolarHBondContact ND1-OD1 2.05Å; H63-D67 IonicContact ND1-OD2 2.77Å; H63-D67 PolarHBondContact ND1-OD2 2.95Å; H63-D67 IonicContact NE2-OD1 2.83Å; H63-D67 VanDerWaalsContact O-CG 3.31Å; H63-D67 PolarHBondContact O-N 2.85Å |
| 64 | E | 92.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -34.6 | -179.1 | -170.3 | -177.3 | -167.1 | 0 | 0 | 112.9 | F40 V41 Q42 L45 I62 D67 K68 | F40-E64 VanDerWaalsContact CA-OE1 3.27Å; F40-E64 WeakPolarHBondContact CA-OE1 3.06Å; F40-E64 HydrophobicContact CD1-CG 4.09Å; V41-E64 VanDerWaalsContact N-CD 3.31Å; V41-E64 PolarHBondContact N-OE1 3.14Å; V41-E64 PolarHBondContact N-OE2 3.42Å; V41-E64 VanDerWaalsContact N-OE2 3.08Å; Q42-E64 VanDerWaalsContact CB-OE2 3.23Å; Q42-E64 WeakPolarHBondContact CB-OE2 3.17Å; Q42-E64 HydrophobicContact CG-CB 4.21Å; Q42-E64 VanDerWaalsContact CG-OE2 3.27Å; Q42-E64 WeakPolarHBondContact CG-OE2 3.23Å; Q42-E64 PolarHBondContact N-OE2 2.87Å; L45-E64 HydrophobicContact CD1-CB 4.28Å; I62-E64 HydrophobicContact CG2-CB 4.19Å; E64-D67 PolarHBondContact O-N 3.45Å; E64-K68 HydrophobicContact CG-CD 3.92Å; E64-K68 HydrophobicContact CG-CG 4.28Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.88Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.32Å; E64-K68 IonicContact OE1-NZ 2.69Å; E64-K68 PolarHBondContact OE1-NZ 3.04Å |
| 65 | A | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L45 L54 I62 H63 D67 K68 C69 | L45-A65 HydrophobicContact CD1-CB 3.86Å; L54-A65 HydrophobicContact CD1-CB 4.04Å; L54-A65 HydrophobicContact CD2-CB 3.94Å; I62-A65 HydrophobicContact CB-CB 4.14Å; I62-A65 HydrophobicContact CG2-CB 4.2Å; I62-A65 PolarHBondContact O-N 3.32Å; H63-A65 VanDerWaalsContact C-N 3.3Å; H63-A65 PolarHBondContact O-N 3.26Å; A65-D67 VanDerWaalsContact C-N 3.35Å; A65-D67 PolarHBondContact O-N 3.26Å; A65-K68 PolarHBondContact O-N 3.01Å; A65-C69 WeakPolarHBondContact O-CA 3.23Å; A65-C69 VanDerWaalsContact O-CB 3.32Å; A65-C69 WeakPolarHBondContact O-CB 3.26Å; A65-C69 PolarHBondContact O-N 3.4Å |
| 66 | R | 94 | Very high | 90.7 | Very high | 113 Ų | 113 | 57.5 Ų | 57.5 | 43% | 0.426 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 178.4 | -71.1 | 179.6 | -74 | 177.3 | -2.1 | 112.9 | C59 I62 H63 P70 C73 | C59-R66 WeakPolarHBondContact O-CD 3.28Å; C59-R66 WeakPolarHBondContact O-CG 3.27Å; I62-R66 PolarHBondContact O-N 2.96Å; H63-R66 PolarHBondContact O-N 3.46Å; R66-P70 WeakPolarHBondContact O-CA 3.41Å; R66-C73 HydrophobicContact CG-CB 4.23Å |
| 67 | D | 93.3 | Very high | 90.7 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 176.7 | -71 | -13.4 | 0 | 0 | 0 | 112.3 | H63 E64 A65 | H63-D67 VanDerWaalsContact CE1-CG 3.42Å; H63-D67 IonicContact CE1-OD1 2.69Å; H63-D67 PolarHBondContact CE1-OD1 3.41Å; H63-D67 IonicContact CE1-OD2 3.85Å; H63-D67 PolarHBondContact CE1-OD2 3.26Å; H63-D67 IonicContact CG-OD2 2.97Å; H63-D67 VanDerWaalsContact ND1-CG 3.29Å; H63-D67 IonicContact ND1-OD1 2.69Å; H63-D67 PolarHBondContact ND1-OD1 2.05Å; H63-D67 IonicContact ND1-OD2 2.77Å; H63-D67 PolarHBondContact ND1-OD2 2.95Å; H63-D67 IonicContact NE2-OD1 2.83Å; H63-D67 VanDerWaalsContact O-CG 3.31Å; H63-D67 PolarHBondContact O-N 2.85Å; E64-D67 PolarHBondContact O-N 3.45Å; A65-D67 VanDerWaalsContact C-N 3.35Å; A65-D67 PolarHBondContact O-N 3.26Å |
| 68 | K | 94.2 | Very high | 90.6 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -88.1 | -22.3 | -175 | -70.9 | -171.9 | 171.2 | 173.7 | 0 | 114.2 | K38 S39 F40 E64 A65 | K38-K68 PolarHBondContact NZ-O 2.85Å; S39-K68 WeakPolarHBondContact O-CD 3.38Å; S39-K68 WeakPolarHBondContact O-CE 3.49Å; S39-K68 PolarHBondContact O-NZ 3.1Å; F40-K68 HydrophobicContact CD1-CB 4.46Å; F40-K68 HydrophobicContact CD1-CD 3.77Å; F40-K68 HydrophobicContact CE1-CB 3.86Å; F40-K68 HydrophobicContact CE1-CD 3.99Å; F40-K68 HydrophobicContact CE1-CG 4.47Å; E64-K68 HydrophobicContact CG-CD 3.92Å; E64-K68 HydrophobicContact CG-CG 4.28Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.88Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.32Å; E64-K68 IonicContact OE1-NZ 2.69Å; E64-K68 PolarHBondContact OE1-NZ 3.04Å; A65-K68 PolarHBondContact O-N 3.01Å |
| 69 | C | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -138.9 | 54.7 | -174.7 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | E34 C51 L54 A65 C71 T72 C73 | E34-C69 VanDerWaalsContact OE1-CA 3.22Å; E34-C69 WeakPolarHBondContact OE1-CA 3.49Å; C51-C69 WeakPolarHBondContact CA-SG 3.04Å; C51-C69 HydrophobicContact CB-CB 3.58Å; C51-C69 WeakPolarHBondContact CB-SG 3.23Å; C51-C69 WeakPolarHBondContact SG-CB 3.1Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.05Å; L54-C69 HydrophobicContact CD1-CB 3.41Å; L54-C69 VanDerWaalsContact CD1-CB 3.41Å; L54-C69 WeakPolarHBondContact CD1-SG 3Å; A65-C69 WeakPolarHBondContact O-CA 3.23Å; A65-C69 VanDerWaalsContact O-CB 3.32Å; A65-C69 WeakPolarHBondContact O-CB 3.26Å; A65-C69 PolarHBondContact O-N 3.4Å; C69-C71 PolarHBondContact O-N 3.13Å; C69-T72 PolarHBondContact O-N 2.82Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.16Å; C69-C73 PolarHBondContact O-SG 3.47Å | ||
| 70 | P | 94.2 | Very high | 87.9 | Confident | 76 Ų | 76 | 63.6 Ų | 63.6 | 49% | 0.494 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | -176.2 | 24.9 | -35.7 | 0 | 0 | 0 | 114.3 | E34 R66 Q74 | E34-P70 WeakPolarHBondContact OE1-CD 2.97Å; R66-P70 WeakPolarHBondContact O-CA 3.41Å; P70-Q74 VanDerWaalsContact O-CB 3.23Å; P70-Q74 WeakPolarHBondContact O-CB 3.46Å; P70-Q74 PolarHBondContact O-N 2.9Å |
| 71 | C | 94.1 | Very high | 86 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 32% | 0.324 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | C31 E34 C69 C73 Q74 R75 | C31-C71 VanDerWaalsContact CA-SG 3.53Å; C31-C71 HydrophobicContact CB-CB 3.74Å; C31-C71 WeakPolarHBondContact CB-SG 3.37Å; C31-C71 WeakPolarHBondContact SG-CB 3Å; C31-C71 PolarHBondContact SG-O 3.42Å; C31-C71 CovalentContact SG-SG 2.05Å; C31-C71 PolarHBondContact SG-SG 2.9Å; E34-C71 WeakPolarHBondContact OE1-CA 3.07Å; E34-C71 WeakPolarHBondContact OE1-CB 3.22Å; E34-C71 PolarHBondContact OE1-N 3.46Å; C69-C71 PolarHBondContact O-N 3.13Å; C71-C73 VanDerWaalsContact C-N 3.31Å; C71-C73 PolarHBondContact O-N 3.21Å; C71-Q74 PolarHBondContact O-N 3.26Å; C71-R75 WeakPolarHBondContact O-CB 3.43Å; C71-R75 PolarHBondContact O-N 2.97Å |
| 72 | T | 92.8 | Very high | 83.6 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | -179.6 | -68 | 0 | 0 | 0 | 0 | 110.5 | C31 E34 C51 C69 R75 I76 | C31-T72 PolarHBondContact SG-N 3.44Å; E34-T72 PolarHBondContact OE1-N 2.96Å; E34-T72 WeakPolarHBondContact OE2-CA 3.33Å; E34-T72 WeakPolarHBondContact OE2-CB 3.44Å; E34-T72 PolarHBondContact OE2-N 3.25Å; E34-T72 PolarHBondContact OE2-OG1 3.02Å; C51-T72 HydrophobicContact CB-CG2 4.25Å; C51-T72 WeakPolarHBondContact O-CG2 3.41Å; C69-T72 PolarHBondContact O-N 2.82Å; T72-R75 PolarHBondContact O-N 2.95Å; T72-I76 HydrophobicContact CG2-CD1 3.5Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CB 3.17Å; T72-I76 WeakPolarHBondContact O-CG1 3.27Å; T72-I76 PolarHBondContact O-N 3.45Å |
| 73 | C | 93.3 | Very high | 80.9 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.7 | -73.6 | 0 | 0 | 0 | 0 | 112.9 | C59 R66 C69 C71 R75 I76 V77 | C59-C73 WeakPolarHBondContact CA-SG 3.46Å; C59-C73 HydrophobicContact CB-CB 3.45Å; C59-C73 VanDerWaalsContact CB-CB 3.45Å; C59-C73 WeakPolarHBondContact CB-SG 3.46Å; C59-C73 WeakPolarHBondContact SG-CA 3.31Å; C59-C73 WeakPolarHBondContact SG-CB 3.34Å; C59-C73 CovalentContact SG-SG 2.05Å; C59-C73 PolarHBondContact SG-SG 2.94Å; R66-C73 HydrophobicContact CG-CB 4.23Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.16Å; C69-C73 PolarHBondContact O-SG 3.47Å; C71-C73 VanDerWaalsContact C-N 3.31Å; C71-C73 PolarHBondContact O-N 3.21Å; C73-R75 VanDerWaalsContact C-N 3.35Å; C73-R75 PolarHBondContact O-N 3.5Å; C73-I76 PolarHBondContact O-N 3.48Å; C73-V77 VanDerWaalsContact O-CB 3.27Å; C73-V77 WeakPolarHBondContact O-CB 3.21Å; C73-V77 WeakPolarHBondContact O-CG2 3.42Å; C73-V77 PolarHBondContact O-N 3.06Å |
| 74 | Q | 92.2 | Very high | 78.3 | Confident | 136 Ų | 136 | 71.8 Ų | 71.8 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.1 | -47.2 | 172.7 | -175.5 | 175.7 | -6.4 | 0 | 0 | 110.9 | P70 C71 V77 S78 | P70-Q74 VanDerWaalsContact O-CB 3.23Å; P70-Q74 WeakPolarHBondContact O-CB 3.46Å; P70-Q74 PolarHBondContact O-N 2.9Å; C71-Q74 PolarHBondContact O-N 3.26Å; Q74-V77 PolarHBondContact O-N 2.98Å; Q74-S78 WeakPolarHBondContact O-CB 3.18Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 PolarHBondContact O-OG 3.38Å |
| 75 | R | 90 | Very high | 75.4 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.6 | -174.9 | -176 | 60.8 | 75.4 | 1.3 | 112.4 | L29 C71 T72 C73 V77 S79 | L29-R75 WeakPolarHBondContact O-CD 3.17Å; C71-R75 WeakPolarHBondContact O-CB 3.43Å; C71-R75 PolarHBondContact O-N 2.97Å; T72-R75 PolarHBondContact O-N 2.95Å; C73-R75 VanDerWaalsContact C-N 3.35Å; C73-R75 PolarHBondContact O-N 3.5Å; R75-V77 VanDerWaalsContact C-N 3.35Å; R75-V77 PolarHBondContact O-N 3.46Å; R75-S79 PolarHBondContact O-N 3.41Å |
| 76 | I | 88 | Confident | 72.4 | Confident | 28 Ų | 28 | 85.9 Ų | 85.9 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | -180 | -69.6 | 168.6 | 0 | 0 | 0 | 110.8 | L54 R56 T72 C73 | L54-I76 WeakPolarHBondContact O-CD1 3.14Å; R56-I76 HydrophobicContact CB-CG2 3.54Å; R56-I76 HydrophobicContact CG-CG2 3.95Å; R56-I76 PolarHBondContact NH1-O 2.87Å; T72-I76 HydrophobicContact CG2-CD1 3.5Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CB 3.17Å; T72-I76 WeakPolarHBondContact O-CG1 3.27Å; T72-I76 PolarHBondContact O-N 3.45Å; C73-I76 PolarHBondContact O-N 3.48Å |
| 77 | V | 88.2 | Confident | 69.4 | Low | 48 Ų | 48 | 86 Ų | 86 | 29% | 0.291 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.6 | -38.1 | -179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | R56 C59 L60 C73 Q74 R75 | R56-V77 PolarHBondContact NH1-O 3.24Å; R56-V77 PolarHBondContact NH2-O 2.78Å; R56-V77 VanDerWaalsContact NH2-O 3.1Å; C59-V77 HydrophobicContact CB-CG2 4.23Å; L60-V77 HydrophobicContact CD2-CG1 4.06Å; L60-V77 HydrophobicContact CD2-CG2 3.82Å; L60-V77 HydrophobicContact CG-CG2 4.13Å; C73-V77 VanDerWaalsContact O-CB 3.27Å; C73-V77 WeakPolarHBondContact O-CB 3.21Å; C73-V77 WeakPolarHBondContact O-CG2 3.42Å; C73-V77 PolarHBondContact O-N 3.06Å; Q74-V77 PolarHBondContact O-N 2.98Å; R75-V77 VanDerWaalsContact C-N 3.35Å; R75-V77 PolarHBondContact O-N 3.46Å |
| 78 | S | 80.8 | Confident | 66.4 | Low | 83 Ų | 83 | 87.3 Ų | 87.3 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.2 | -9.4 | -179.7 | -62 | 0 | 0 | 0 | 0 | 114.6 | Q74 | Q74-S78 WeakPolarHBondContact O-CB 3.18Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 PolarHBondContact O-OG 3.38Å |
| 79 | S | 72.3 | Confident | 63.2 | Low | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -60.3 | 124.3 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | R75 E81 | R75-S79 PolarHBondContact O-N 3.41Å; S79-E81 PolarHBondContact O-N 3.16Å |
| 80 | P | 54.7 | Low | 60 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 77% | 0.773 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -80.3 | 61.3 | -174.5 | 33.6 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 81 | E | 45.7 | Very low | 56.8 | Low | 185 Ų | 185 | 104 Ų | 104 | 86% | 0.864 | 58% | 0.582 | S | S | * | * | trans | -97.2 | 63 | 139.9 | -82.9 | 168.8 | 126.5 | 0 | 0 | 106.2 | S79 | S79-E81 PolarHBondContact O-N 3.16Š| ||
| 82 | A | 34.5 | Very low | 53.7 | Low | 67 Ų | 67 | 111.2 Ų | 111.2 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | trans | -139.8 | 95.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 83 | A | 29.6 | Very low | 50.7 | Low | 92 Ų | 92 | 119 Ų | 119 | 76% | 0.76 | 65% | 0.646 | S | S | * | * | trans | -174.3 | 90.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 84 | H | 35.1 | Very low | 47.5 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | trans | -148.2 | 134.6 | 142.3 | -107.2 | 61 | 0 | 0 | 0 | 109.1 | ||||
| 85 | P | 30.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | trans | -85.2 | 150.8 | -157.6 | 12.1 | 4.1 | 0 | 0 | 0 | 113.4 | ||||
| 86 | Q | 27.8 | Very low | 41.9 | Very low | 195 Ų | 195 | 126.7 Ų | 126.7 | 91% | 0.911 | 68% | 0.684 | S | S | * | * | trans | -64 | 136 | 172.9 | -60.4 | 174.5 | -82.4 | 0 | 0 | 111.9 | ||||
| 87 | S | 30.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -142 | 100.5 | 143.6 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 88 | V | 31.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | 19.9 | 100.6 | 137.5 | -170 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 89 | E | 26.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | 103.4 | 104.1 | 75.3 | -170.3 | 166.2 | -176.1 | 0 | 0 | 112.3 | |||||
| 90 | Y | 26.8 | Very low | 31.9 | Very low | 235 Ų | 235 | 130.7 Ų | 130.7 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | trans | -150 | 105 | 132.7 | -106.3 | -82.4 | 0 | 0 | 0 | 107.4 | ||||
| 91 | A | 27.7 | Very low | 31 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | trans | 30.9 | 102.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 92 | Q | 28.3 | Very low | 30.8 | Very low | 199 Ų | 199 | 119 Ų | 119 | 93% | 0.93 | 68% | 0.678 | S | S | * | * | trans | -111.5 | 110.4 | 149.6 | -89.4 | 178.3 | -85.4 | 0 | 0 | 108.8 | ||||
| 93 | Q | 30.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 118 Ų | 118 | 78% | 0.78 | 67% | 0.674 | S | S | * | * | trans | -88.7 | 118.3 | 170.7 | -159.9 | 157.7 | -10.3 | 0 | 0 | 107.1 | M95 | Q93-M95 PolarHBondContact O-N 2.99Å; Q93-M95 VanDerWaalsContact O-N 3.08Å | ||
| 94 | D | 27 | Very low | 33.6 | Very low | 120 Ų | 120 | 114.3 Ų | 114.3 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | trans | -50.3 | 107 | 171.5 | -56 | -48.1 | 0 | 0 | 0 | 110.4 | ||||
| 95 | M | 30.4 | Very low | 35.7 | Very low | 72 Ų | 72 | 109.2 Ų | 109.2 | 36% | 0.355 | 62% | 0.617 | S | S | . | * | trans | -143.5 | 66.5 | 169.9 | -72.1 | -163.9 | -40.3 | 0 | 0 | 113.3 | Q93 A97 G98 D99 | Q93-M95 PolarHBondContact O-N 2.99Å; Q93-M95 VanDerWaalsContact O-N 3.08Å; M95-A97 PolarHBondContact O-N 2.87Å; M95-G98 VanDerWaalsContact SD-O 3.33Å; M95-D99 HydrophobicContact CE-CB 3.15Å; M95-D99 VanDerWaalsContact CE-OD2 3.3Å; M95-D99 WeakPolarHBondContact CE-OD2 3.31Å; M95-D99 HydrophobicContact SD-CB 3.67Å; M95-D99 PolarHBondContact SD-N 3.21Å | ||
| 96 | Y | 32.9 | Very low | 38.5 | Very low | 209 Ų | 209 | 103.5 Ų | 103.5 | 82% | 0.82 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -82.1 | 57.6 | 135.8 | -70.6 | -74.6 | 0 | 0 | 0 | 109.7 | ||
| 97 | A | 30.7 | Very low | 41.7 | Very low | 64 Ų | 64 | 94.3 Ų | 94.3 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 166.4 | 78.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M95 | M95-A97 PolarHBondContact O-N 2.87Š|
| 98 | G | 27.2 | Very low | 44.7 | Very low | 67 Ų | 67 | 88.9 Ų | 88.9 | 69% | 0.691 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 115.7 | 51.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | M95 | M95-G98 VanDerWaalsContact SD-O 3.33Š|
| 99 | D | 29.7 | Very low | 47.6 | Very low | 129 Ų | 129 | 83.5 Ų | 83.5 | 69% | 0.69 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -166.8 | 151.3 | 138.3 | 151.6 | 62.4 | 0 | 0 | 0 | 110.1 | M95 | M95-D99 HydrophobicContact CE-CB 3.15Å; M95-D99 VanDerWaalsContact CE-OD2 3.3Å; M95-D99 WeakPolarHBondContact CE-OD2 3.31Å; M95-D99 HydrophobicContact SD-CB 3.67Å; M95-D99 PolarHBondContact SD-N 3.21Å |
| 100 | G | 31.9 | Very low | 50.9 | Low | 39 Ų | 39 | 79.7 Ų | 79.7 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | trans | -71.4 | 130.3 | -148.4 | 0 | 0 | 0 | 0 | 0 | 116 | G102 | G100-G102 PolarHBondContact O-N 3.35Š| ||
| 101 | G | 36.8 | Very low | 54.2 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 7% | 0.072 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 60.7 | -4.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | G103 A104 | G101-G103 PolarHBondContact O-N 2.98Å; G101-A104 PolarHBondContact O-N 2.84Å |
| 102 | G | 41.7 | Very low | 57.4 | Low | 53 Ų | 53 | 68 Ų | 68 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | G100 L177 | G100-G102 PolarHBondContact O-N 3.35Å; G102-L177 VanDerWaalsContact O-CD1 3.3Å; G102-L177 WeakPolarHBondContact O-CD1 3.43Å |
| 103 | G | 58.1 | Low | 60.6 | Low | 46 Ų | 46 | 58.5 Ų | 58.5 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -10 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G101 R105 | G101-G103 PolarHBondContact O-N 2.98Å; G103-R105 PolarHBondContact O-NH1 3.12Å |
| 104 | A | 65.1 | Low | 63.6 | Low | 14 Ų | 14 | 52.4 Ų | 52.4 | 12% | 0.116 | 32% | 0.322 | C | S | . | . | trans | -80.6 | 152.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G101 T175 F229 | G101-A104 PolarHBondContact O-N 2.84Å; A104-T175 HydrophobicContact CB-CG2 4.1Å; A104-T175 WeakPolarHBondContact O-CB 3.33Å; A104-T175 PolarHBondContact O-OG1 3.27Å; A104-F229 HydrophobicContact CB-CD1 3.53Å; A104-F229 HydrophobicContact CB-CE1 3.36Å | ||
| 105 | R | 77.4 | Confident | 66.9 | Low | 61 Ų | 61 | 46.9 Ų | 46.9 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | trans | -135.4 | 74.6 | -176.5 | -58.1 | 130.1 | 150.6 | 130.1 | -16.5 | 108.7 | G103 T175 L177 H178 S231 S250 T251 | G103-R105 PolarHBondContact O-NH1 3.12Å; R105-T175 WeakPolarHBondContact CA-OG1 3.36Å; R105-T175 PolarHBondContact N-OG1 2.86Å; R105-L177 HydrophobicContact CG-CB 3.74Å; R105-H178 VanDerWaalsContact C-ND1 3.27Å; R105-S231 WeakPolarHBondContact O-CB 3.44Å; R105-S231 PolarHBondContact O-OG 2.9Å; R105-S250 WeakPolarHBondContact CD-OG 3.17Å; R105-S250 PolarHBondContact NE-O 2.82Å; R105-S250 PolarHBondContact NE-OG 2.75Å; R105-T251 PolarHBondContact NH2-OG1 3.07Å | ||
| 106 | C | 90.6 | Very high | 70 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -140.6 | 160.7 | -161 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | H152 Y161 T175 H178 F229 Y230 | C106-H152 PolarHBondContact SG-ND1 3.36Å; C106-H152 VanDerWaalsContact SG-ND1 3.35Å; C106-Y161 WeakPolarHBondContact O-CE1 3.33Å; C106-T175 HydrophobicContact CB-CG2 4.04Å; C106-T175 PolarHBondContact N-OG1 2.94Å; C106-T175 PolarHBondContact O-N 3.35Å; C106-T175 VanDerWaalsContact O-N 3.11Å; C106-H178 PolarHBondContact N-ND1 2.68Å; C106-F229 HydrophobicContact CB-CB 4.05Å; C106-F229 HydrophobicContact CB-CD1 3.95Å; C106-F229 HydrophobicContact CB-CG 4.46Å; C106-Y230 CarbonylContact C-O 3.51Å; C106-Y230 WeakPolarHBondContact CA-O 3.42Å | ||
| 107 | F | 94.2 | Very high | 73 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -95.7 | 152.7 | 162.2 | -56.3 | -82 | 0 | 0 | 0 | 109.1 | A111 M122 Y161 L172 L174 H178 Y230 L239 V241 A246 | F107-A111 HydrophobicContact CB-CB 3.98Å; F107-M122 HydrophobicContact CB-CE 3.97Å; F107-M122 HydrophobicContact CB-CG 4.06Å; F107-M122 HydrophobicContact CD1-CE 4.39Å; F107-M122 HydrophobicContact CD2-CE 3.62Å; F107-M122 HydrophobicContact CE2-CE 4.18Å; F107-M122 HydrophobicContact CG-CE 3.74Å; F107-Y161 PolarHBondContact O-OH 3.06Å; F107-L172 HydrophobicContact CD1-CD1 4.3Å; F107-L172 HydrophobicContact CE1-CD1 4.26Å; F107-L174 HydrophobicContact CD1-CD2 3.48Å; F107-L174 VanDerWaalsContact CD1-CD2 3.48Å; F107-L174 HydrophobicContact CE1-CD2 3.21Å; F107-L174 HydrophobicContact CZ-CD2 4.08Å; F107-H178 AromaticContact CD2-CE1 3.77Å; F107-H178 AromaticContact CE1-CE1 3.98Å; F107-H178 AromaticContact CE1-NE2 3.95Å; F107-H178 AromaticContact CE2-CE1 3.23Å; F107-H178 WeakPolarHBondContact CE2-CE1 3.22Å; F107-H178 AromaticContact CE2-NE2 3.59Å; F107-H178 AromaticContact CZ-CE1 3.34Å; F107-H178 WeakPolarHBondContact CZ-CE1 3.44Å; F107-H178 AromaticContact CZ-NE2 3.25Å; F107-H178 WeakPolarHBondContact CZ-NE2 3.21Å; F107-Y230 PolarHBondContact N-O 2.84Å; F107-Y230 PolarHBondContact O-N 2.96Å; F107-L239 HydrophobicContact CE2-CD1 4.33Å; F107-L239 HydrophobicContact CE2-CD2 3.94Å; F107-L239 HydrophobicContact CZ-CD2 3.78Å; F107-L239 HydrophobicContact CZ-CG 4.5Å; F107-V241 HydrophobicContact CD1-CB 4.24Å; F107-V241 HydrophobicContact CD1-CG1 3.9Å; F107-V241 HydrophobicContact CD1-CG2 3.94Å; F107-V241 HydrophobicContact CE1-CB 3.97Å; F107-V241 HydrophobicContact CE1-CG1 4.16Å; F107-V241 HydrophobicContact CE1-CG2 3.49Å; F107-V241 VanDerWaalsContact CE1-CG2 3.49Å; F107-V241 HydrophobicContact CE2-CG2 4.34Å; F107-V241 HydrophobicContact CZ-CG2 3.74Å; F107-A246 HydrophobicContact CE1-CB 3.82Å; F107-A246 HydrophobicContact CZ-CB 3.69Å |
| 108 | P | 94.3 | Very high | 75.9 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | trans | -73.4 | 166.6 | 172.9 | 35.3 | -38.3 | 0 | 0 | 0 | 111.3 | D110 A111 Y161 S173 K226 | P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.33Å; P108-D110 VanDerWaalsContact CG-OD1 3.26Å; P108-D110 WeakPolarHBondContact CG-OD1 3.44Å; P108-D110 PolarHBondContact O-N 3.35Å; P108-A111 HydrophobicContact CG-CB 4.02Å; P108-A111 WeakPolarHBondContact O-CB 3.24Å; P108-A111 PolarHBondContact O-N 3.14Å; P108-Y161 HydrophobicContact CB-CE1 4.05Å; P108-Y161 HydrophobicContact CB-CE2 4.42Å; P108-Y161 VanDerWaalsContact CD-CE1 3.43Å; P108-Y161 HydrophobicContact CG-CE1 4.21Å; P108-S173 WeakPolarHBondContact CD-O 3.4Å; P108-K226 HydrophobicContact CB-CB 3.69Å; P108-K226 HydrophobicContact CB-CG 4.34Å; P108-K226 HydrophobicContact CG-CB 4.45Å | ||
| 109 | S | 93.2 | Very high | 79.1 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.1 | -179.8 | 50.3 | 0 | 0 | 0 | 0 | 114.1 | T121 M122 E123 K227 | S109-T121 WeakPolarHBondContact O-CB 3.3Å; S109-M122 PolarHBondContact O-N 3.15Å; S109-E123 PolarHBondContact O-N 2.96Å; S109-K227 WeakPolarHBondContact CB-O 3.3Å; S109-K227 PolarHBondContact N-O 2.98Å; S109-K227 PolarHBondContact OG-O 2.77Å |
| 110 | D | 94.2 | Very high | 82.2 | Confident | 88 Ų | 88 | 35.3 Ų | 35.3 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.8 | -175.6 | 64.6 | -28.1 | 0 | 0 | 0 | 113.8 | P108 L112 | P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.33Å; P108-D110 VanDerWaalsContact CG-OD1 3.26Å; P108-D110 WeakPolarHBondContact CG-OD1 3.44Å; P108-D110 PolarHBondContact O-N 3.35Å; D110-L112 PolarHBondContact O-N 2.83Å |
| 111 | A | 95.9 | Very high | 85.3 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | trans | -60.5 | 126 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F107 P108 T121 M122 V241 | F107-A111 HydrophobicContact CB-CB 3.98Å; P108-A111 HydrophobicContact CG-CB 4.02Å; P108-A111 WeakPolarHBondContact O-CB 3.24Å; P108-A111 PolarHBondContact O-N 3.14Å; A111-T121 CarbonylContact O-C 3.56Å; A111-T121 VanDerWaalsContact O-CA 3.25Å; A111-T121 WeakPolarHBondContact O-CA 3.25Å; A111-M122 HydrophobicContact CB-CG 3.79Å; A111-M122 PolarHBondContact O-N 3.34Å; A111-V241 HydrophobicContact CB-CG1 3.67Å | ||
| 112 | L | 96.1 | Very high | 87.9 | Confident | 71 Ų | 71 | 34.8 Ų | 34.8 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.8 | -175.9 | -168.7 | 74.1 | 0 | 0 | 0 | 110.1 | D110 P119 M120 V241 N242 | D110-L112 PolarHBondContact O-N 2.83Å; L112-P119 HydrophobicContact CD1-CB 3.85Å; L112-P119 HydrophobicContact CD2-CB 4.17Å; L112-P119 HydrophobicContact CG-CB 4.15Å; L112-M120 CarbonylContact C-O 3.51Å; L112-M120 WeakPolarHBondContact CA-O 3.49Å; L112-V241 CarbonylContact O-C 3.54Å; L112-V241 WeakPolarHBondContact O-CA 3.32Å; L112-N242 WeakPolarHBondContact CB-OD1 3.31Å; L112-N242 PolarHBondContact N-OD1 2.93Å; L112-N242 PolarHBondContact O-N 2.85Å; L112-N242 PolarHBondContact O-OD1 2.83Å |
| 113 | V | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.6 | 170.1 | -67.5 | 0 | 0 | 0 | 0 | 109.7 | T115 P119 M120 M122 L125 V133 L239 V241 | V113-T115 HydrophobicContact CG2-CG2 3.82Å; V113-P119 WeakPolarHBondContact O-CA 3.37Å; V113-M120 HydrophobicContact CG2-CB 4.33Å; V113-M120 WeakPolarHBondContact CG2-O 3.3Å; V113-M120 PolarHBondContact N-O 2.97Å; V113-M120 PolarHBondContact O-N 3.24Å; V113-M122 HydrophobicContact CG1-CE 3.45Å; V113-M122 VanDerWaalsContact CG1-CE 3.45Å; V113-M122 HydrophobicContact CG1-SD 4.22Å; V113-L125 HydrophobicContact CG2-CB 4.29Å; V113-L125 HydrophobicContact CG2-CD1 4.21Å; V113-L125 HydrophobicContact CG2-CD2 3.88Å; V113-L125 HydrophobicContact CG2-CG 4.33Å; V113-V133 HydrophobicContact CB-CG1 4.15Å; V113-V133 HydrophobicContact CG2-CG1 4.02Å; V113-L239 HydrophobicContact CG1-CD1 4.37Å; V113-V241 HydrophobicContact CG1-CG2 4.15Å |
| 114 | D | 92.3 | Very high | 92 | Very high | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | trans | -77.6 | 128.1 | 166.8 | -69.8 | -25.4 | 0 | 0 | 0 | 108.6 | V133 L134 Q207 | D114-V133 CarbonylContact O-C 3.38Å; D114-V133 WeakPolarHBondContact O-CA 3.28Å; D114-L134 HydrophobicContact CB-CB 3.92Å; D114-L134 HydrophobicContact CB-CD2 4.12Å; D114-L134 PolarHBondContact O-N 3.1Å; D114-Q207 PolarHBondContact OD2-NE2 2.85Å | ||
| 115 | T | 96.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | B | Isolated β-bridge | trans | -124.5 | 161.8 | 177.1 | 88.3 | 0 | 0 | 0 | 0 | 111.3 | V113 L117 G118 M120 L125 A131 K132 V133 Y144 | V113-T115 HydrophobicContact CG2-CG2 3.82Å; T115-L117 PolarHBondContact O-N 2.8Å; T115-L117 PolarHBondContact OG1-N 2.96Å; T115-G118 WeakPolarHBondContact CB-O 3.24Å; T115-G118 PolarHBondContact N-O 2.85Å; T115-G118 PolarHBondContact O-N 3.25Å; T115-G118 PolarHBondContact OG1-N 2.82Å; T115-G118 PolarHBondContact OG1-O 3.46Å; T115-M120 HydrophobicContact CG2-CB 4.11Å; T115-M120 HydrophobicContact CG2-CG 4.06Å; T115-M120 HydrophobicContact CG2-SD 4.14Å; T115-L125 HydrophobicContact CG2-CD1 4.01Å; T115-A131 HydrophobicContact CG2-CB 4.34Å; T115-K132 CarbonylContact C-O 3.57Å; T115-K132 WeakPolarHBondContact CA-O 3.38Å; T115-K132 VanDerWaalsContact CB-O 3.3Å; T115-K132 WeakPolarHBondContact CB-O 3.46Å; T115-V133 HydrophobicContact CG2-CG1 4.36Å; T115-Y144 PolarHBondContact O-OH 2.87Å |
| 116 | N | 95.6 | Very high | 93.9 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -8.7 | 173.2 | 69.4 | -46.9 | 0 | 0 | 0 | 113.5 | K132 Y144 | N116-K132 PolarHBondContact N-O 3.02Å; N116-K132 PolarHBondContact OD1-N 3.27Å; N116-K132 PolarHBondContact OD1-O 3.08Å; N116-Y144 HydrophobicContact CB-CD1 3.95Å; N116-Y144 HydrophobicContact CB-CD2 3.9Å; N116-Y144 HydrophobicContact CB-CE1 4.12Å; N116-Y144 HydrophobicContact CB-CE2 4.05Å; N116-Y144 HydrophobicContact CB-CG 3.85Å |
| 117 | L | 94.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 13.1 | 177.2 | -57.1 | -179.8 | 0 | 0 | 0 | 112.2 | T115 M120 Q130 A131 | T115-L117 PolarHBondContact O-N 2.8Å; T115-L117 PolarHBondContact OG1-N 2.96Å; L117-M120 HydrophobicContact CB-CE 3.65Å; L117-M120 HydrophobicContact CD1-CE 4.43Å; L117-Q130 HydrophobicContact CD1-CB 4.45Å; L117-A131 HydrophobicContact CD1-CB 4.24Å |
| 118 | G | 93 | Very high | 93.5 | Very high | 29 Ų | 29 | 43.6 Ų | 43.6 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 100.3 | 171.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T115 | T115-G118 WeakPolarHBondContact CB-O 3.24Å; T115-G118 PolarHBondContact N-O 2.85Å; T115-G118 PolarHBondContact O-N 3.25Å; T115-G118 PolarHBondContact OG1-N 2.82Å; T115-G118 PolarHBondContact OG1-O 3.46Å |
| 119 | P | 93.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 57% | 0.571 | 27% | 0.274 | S | S | * | . | trans | -63 | 138.4 | -179.7 | -21.9 | 33.9 | 0 | 0 | 0 | 112.2 | L112 V113 | L112-P119 HydrophobicContact CD1-CB 3.85Å; L112-P119 HydrophobicContact CD2-CB 4.17Å; L112-P119 HydrophobicContact CG-CB 4.15Å; V113-P119 WeakPolarHBondContact O-CA 3.37Å | ||
| 120 | M | 95.1 | Very high | 93 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 144.8 | 178.1 | -64.2 | -176.1 | -171.2 | 0 | 0 | 110.5 | L112 V113 T115 L117 Q124 N128 A131 | L112-M120 CarbonylContact C-O 3.51Å; L112-M120 WeakPolarHBondContact CA-O 3.49Å; V113-M120 HydrophobicContact CG2-CB 4.33Å; V113-M120 WeakPolarHBondContact CG2-O 3.3Å; V113-M120 PolarHBondContact N-O 2.97Å; V113-M120 PolarHBondContact O-N 3.24Å; T115-M120 HydrophobicContact CG2-CB 4.11Å; T115-M120 HydrophobicContact CG2-CG 4.06Å; T115-M120 HydrophobicContact CG2-SD 4.14Å; L117-M120 HydrophobicContact CB-CE 3.65Å; L117-M120 HydrophobicContact CD1-CE 4.43Å; M120-Q124 HydrophobicContact CB-CB 4.13Å; M120-N128 WeakPolarHBondContact CE-ND2 2.78Å; M120-N128 HydrophobicContact SD-CB 4.09Å; M120-A131 HydrophobicContact CE-CB 4.39Å; M120-A131 HydrophobicContact SD-CB 4.14Å |
| 121 | T | 95.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 159.6 | 166.5 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | S109 A111 E123 Q124 L125 | S109-T121 WeakPolarHBondContact O-CB 3.3Å; A111-T121 CarbonylContact O-C 3.56Å; A111-T121 VanDerWaalsContact O-CA 3.25Å; A111-T121 WeakPolarHBondContact O-CA 3.25Å; T121-E123 PolarHBondContact O-N 3.38Å; T121-Q124 PolarHBondContact O-N 2.78Å; T121-Q124 VanDerWaalsContact OG1-CD 3.31Å; T121-Q124 VanDerWaalsContact OG1-CG 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.46Å; T121-Q124 PolarHBondContact OG1-N 3.01Å; T121-Q124 PolarHBondContact OG1-OE1 3.49Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 2.98Å |
| 122 | M | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.5 | -37.3 | 172.8 | -74.5 | -66.5 | 175.2 | 0 | 0 | 112.1 | F107 S109 A111 V113 Q124 L125 I126 W150 Y230 P232 L239 V241 | F107-M122 HydrophobicContact CB-CE 3.97Å; F107-M122 HydrophobicContact CB-CG 4.06Å; F107-M122 HydrophobicContact CD1-CE 4.39Å; F107-M122 HydrophobicContact CD2-CE 3.62Å; F107-M122 HydrophobicContact CE2-CE 4.18Å; F107-M122 HydrophobicContact CG-CE 3.74Å; S109-M122 PolarHBondContact O-N 3.15Å; A111-M122 HydrophobicContact CB-CG 3.79Å; A111-M122 PolarHBondContact O-N 3.34Å; V113-M122 HydrophobicContact CG1-CE 3.45Å; V113-M122 VanDerWaalsContact CG1-CE 3.45Å; V113-M122 HydrophobicContact CG1-SD 4.22Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-Q124 PolarHBondContact O-N 3.17Å; M122-L125 PolarHBondContact O-N 2.63Å; M122-L125 HydrophobicContact SD-CD2 4.29Å; M122-I126 PolarHBondContact O-N 2.79Å; M122-W150 HydrophobicContact SD-CH2 4.26Å; M122-W150 HydrophobicContact SD-CZ3 4.27Å; M122-Y230 HydrophobicContact CB-CD1 4.01Å; M122-Y230 HydrophobicContact CB-CD2 4.14Å; M122-Y230 HydrophobicContact CB-CG 3.71Å; M122-P232 HydrophobicContact CE-CG 4.2Å; M122-P232 HydrophobicContact SD-CG 4.05Å; M122-L239 HydrophobicContact CE-CD1 3.91Å; M122-V241 HydrophobicContact CE-CG1 4.25Å; M122-V241 HydrophobicContact CE-CG2 3.79Å |
| 123 | E | 91.8 | Very high | 93 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 175.2 | -179.1 | 167.3 | -140.9 | 0 | 0 | 113.4 | S109 T121 I126 | S109-E123 PolarHBondContact O-N 2.96Å; T121-E123 PolarHBondContact O-N 3.38Å; E123-I126 VanDerWaalsContact O-CG2 3.31Å; E123-I126 WeakPolarHBondContact O-CG2 3.48Å |
| 124 | Q | 93.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76.1 | -45.4 | 174.2 | -72.7 | 163.2 | -36.1 | 0 | 0 | 111.3 | M120 T121 M122 I126 T127 N128 | M120-Q124 HydrophobicContact CB-CB 4.13Å; T121-Q124 PolarHBondContact O-N 2.78Å; T121-Q124 VanDerWaalsContact OG1-CD 3.31Å; T121-Q124 VanDerWaalsContact OG1-CG 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.46Å; T121-Q124 PolarHBondContact OG1-N 3.01Å; T121-Q124 PolarHBondContact OG1-OE1 3.49Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-Q124 PolarHBondContact O-N 3.17Å; Q124-I126 VanDerWaalsContact C-N 3.27Å; Q124-I126 PolarHBondContact O-N 3.18Å; Q124-T127 PolarHBondContact O-N 2.65Å; Q124-T127 PolarHBondContact O-OG1 3.3Å; Q124-N128 PolarHBondContact O-N 3.08Å |
| 125 | L | 93.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.7 | -40.7 | -177.3 | -176.9 | 71.6 | 0 | 0 | 0 | 112 | V113 T115 T121 M122 T127 N128 A131 V133 V147 W150 | V113-L125 HydrophobicContact CG2-CB 4.29Å; V113-L125 HydrophobicContact CG2-CD1 4.21Å; V113-L125 HydrophobicContact CG2-CD2 3.88Å; V113-L125 HydrophobicContact CG2-CG 4.33Å; T115-L125 HydrophobicContact CG2-CD1 4.01Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 2.98Å; M122-L125 PolarHBondContact O-N 2.63Å; M122-L125 HydrophobicContact SD-CD2 4.29Å; L125-T127 PolarHBondContact O-N 3.01Å; L125-T127 VanDerWaalsContact O-N 3.08Å; L125-N128 PolarHBondContact O-N 2.88Å; L125-A131 HydrophobicContact CD1-CB 3.81Å; L125-V133 HydrophobicContact CD1-CG1 3.72Å; L125-V133 HydrophobicContact CD2-CG1 3.56Å; L125-V133 HydrophobicContact CG-CG1 4.28Å; L125-V147 HydrophobicContact CD2-CG2 4.07Å; L125-W150 HydrophobicContact CB-CH2 4.14Å; L125-W150 HydrophobicContact CB-CZ2 4.31Å; L125-W150 HydrophobicContact CD2-CH2 3.69Å; L125-W150 HydrophobicContact CD2-CZ2 3.85Å; L125-W150 HydrophobicContact CG-CH2 4Å; L125-W150 HydrophobicContact CG-CZ2 3.87Å |
| 126 | I | 88.2 | Confident | 93.2 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.6 | 179.7 | -160.1 | 170.6 | 0 | 0 | 0 | 113.6 | M122 E123 Q124 R129 W150 A153 Y230 | M122-I126 PolarHBondContact O-N 2.79Å; E123-I126 VanDerWaalsContact O-CG2 3.31Å; E123-I126 WeakPolarHBondContact O-CG2 3.48Å; Q124-I126 VanDerWaalsContact C-N 3.27Å; Q124-I126 PolarHBondContact O-N 3.18Å; I126-R129 PolarHBondContact O-NH1 2.92Å; I126-W150 VanDerWaalsContact CA-CZ2 3.41Å; I126-W150 HydrophobicContact CB-CD2 4.48Å; I126-W150 HydrophobicContact CB-CH2 3.9Å; I126-W150 HydrophobicContact CB-CZ2 3.78Å; I126-W150 HydrophobicContact CB-CZ3 4.35Å; I126-W150 HydrophobicContact CD1-CD2 4.1Å; I126-W150 HydrophobicContact CD1-CE3 4.19Å; I126-W150 HydrophobicContact CD1-CG 4.43Å; I126-W150 HydrophobicContact CG1-CD2 3.89Å; I126-W150 HydrophobicContact CG1-CE3 4.29Å; I126-W150 HydrophobicContact CG1-CG 4.31Å; I126-W150 HydrophobicContact CG1-CH2 4.36Å; I126-W150 HydrophobicContact CG1-CZ2 4.01Å; I126-A153 HydrophobicContact CD1-CB 3.22Å; I126-Y230 HydrophobicContact CB-CE1 4.29Å; I126-Y230 HydrophobicContact CD1-CD1 4.31Å; I126-Y230 HydrophobicContact CD1-CE1 4.14Å; I126-Y230 HydrophobicContact CG2-CE1 4.09Å |
| 127 | T | 88.3 | Confident | 93.1 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.9 | 176.4 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | Q124 L125 | Q124-T127 PolarHBondContact O-N 2.65Å; Q124-T127 PolarHBondContact O-OG1 3.3Å; L125-T127 PolarHBondContact O-N 3.01Å; L125-T127 VanDerWaalsContact O-N 3.08Å |
| 128 | N | 89.3 | Confident | 92.9 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | trans | -108.5 | 85.2 | -178.1 | -163.3 | -35.9 | 0 | 0 | 0 | 111.6 | M120 Q124 L125 Q130 A131 | M120-N128 WeakPolarHBondContact CE-ND2 2.78Å; M120-N128 HydrophobicContact SD-CB 4.09Å; Q124-N128 PolarHBondContact O-N 3.08Å; L125-N128 PolarHBondContact O-N 2.88Å; N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.02Å; N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 PolarHBondContact O-N 3.22Å; N128-A131 PolarHBondContact OD1-N 3.37Å; N128-A131 VanDerWaalsContact OD1-N 3.15Å | ||
| 129 | R | 85.7 | Confident | 92.8 | Very high | 169 Ų | 169 | 61 Ų | 61 | 64% | 0.638 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.6 | -178.4 | -66.3 | -75.9 | -178.7 | -92.8 | -5.6 | 114.4 | I126 | I126-R129 PolarHBondContact O-NH1 2.92Š|
| 130 | Q | 89.6 | Confident | 92.6 | Very high | 161 Ų | 161 | 62 Ų | 62 | 75% | 0.752 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -17.9 | -179 | -63.3 | 178.6 | -0.5 | 0 | 0 | 112.6 | L117 N128 | L117-Q130 HydrophobicContact CD1-CB 4.45Å; N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.02Å |
| 131 | A | 93.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | trans | -68.1 | 134.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | T115 L117 M120 L125 N128 | T115-A131 HydrophobicContact CG2-CB 4.34Å; L117-A131 HydrophobicContact CD1-CB 4.24Å; M120-A131 HydrophobicContact CE-CB 4.39Å; M120-A131 HydrophobicContact SD-CB 4.14Å; L125-A131 HydrophobicContact CD1-CB 3.81Å; N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 PolarHBondContact O-N 3.22Å; N128-A131 PolarHBondContact OD1-N 3.37Å; N128-A131 VanDerWaalsContact OD1-N 3.15Å | ||
| 132 | K | 97 | Very high | 92.4 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.8 | 168.5 | -60.9 | -175.6 | -179.4 | -175.6 | 0 | 107.7 | T115 N116 Y144 S145 P146 | T115-K132 CarbonylContact C-O 3.57Å; T115-K132 WeakPolarHBondContact CA-O 3.38Å; T115-K132 VanDerWaalsContact CB-O 3.3Å; T115-K132 WeakPolarHBondContact CB-O 3.46Å; N116-K132 PolarHBondContact N-O 3.02Å; N116-K132 PolarHBondContact OD1-N 3.27Å; N116-K132 PolarHBondContact OD1-O 3.08Å; K132-Y144 WeakPolarHBondContact O-CD1 3.25Å; K132-S145 CarbonylContact C-O 3.58Å; K132-S145 WeakPolarHBondContact CA-O 3.36Å; K132-P146 HydrophobicContact CG-CB 4.4Å |
| 133 | V | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 150.4 | -179.7 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | V113 D114 T115 L125 A135 Y144 S145 V147 T234 L239 | V113-V133 HydrophobicContact CB-CG1 4.15Å; V113-V133 HydrophobicContact CG2-CG1 4.02Å; D114-V133 CarbonylContact O-C 3.38Å; D114-V133 WeakPolarHBondContact O-CA 3.28Å; T115-V133 HydrophobicContact CG2-CG1 4.36Å; L125-V133 HydrophobicContact CD1-CG1 3.72Å; L125-V133 HydrophobicContact CD2-CG1 3.56Å; L125-V133 HydrophobicContact CG-CG1 4.28Å; V133-A135 PolarHBondContact O-N 2.99Å; V133-Y144 CarbonylContact O-C 3.56Å; V133-Y144 WeakPolarHBondContact O-CA 3.29Å; V133-S145 PolarHBondContact N-O 2.5Å; V133-S145 PolarHBondContact O-N 3.46Å; V133-V147 HydrophobicContact CG1-CG2 3.95Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å; V133-T234 HydrophobicContact CG2-CG2 3.33Å; V133-L239 HydrophobicContact CG2-CB 4.03Å |
| 134 | L | 97.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.1 | 172.6 | -162.4 | 66.3 | 0 | 0 | 0 | 109.5 | D114 L142 Y144 L239 I240 | D114-L134 HydrophobicContact CB-CB 3.92Å; D114-L134 HydrophobicContact CB-CD2 4.12Å; D114-L134 PolarHBondContact O-N 3.1Å; L134-L142 HydrophobicContact CD1-CB 4.05Å; L134-L142 HydrophobicContact CD2-CD1 3.97Å; L134-L142 HydrophobicContact CG-CB 4.34Å; L134-L142 HydrophobicContact CG-CD1 4.49Å; L134-L142 HydrophobicContact CG-CD2 4.42Å; L134-Y144 HydrophobicContact CB-CD1 4.46Å; L134-Y144 HydrophobicContact CB-CE1 4.23Å; L134-Y144 HydrophobicContact CD1-CD1 4.23Å; L134-Y144 HydrophobicContact CD1-CE1 4Å; L134-L239 CarbonylContact O-C 3.52Å; L134-L239 WeakPolarHBondContact O-CA 3.46Å; L134-I240 HydrophobicContact CB-CB 4.21Å; L134-I240 HydrophobicContact CB-CG1 4.11Å; L134-I240 HydrophobicContact CD2-CB 4.45Å; L134-I240 HydrophobicContact CD2-CG1 4.09Å; L134-I240 HydrophobicContact CG-CG1 3.98Å; L134-I240 PolarHBondContact O-N 3.19Å |
| 135 | A | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 169 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V133 L142 T143 E236 N238 | V133-A135 PolarHBondContact O-N 2.99Å; A135-L142 CarbonylContact O-C 3.57Å; A135-L142 VanDerWaalsContact O-CA 3.28Å; A135-L142 WeakPolarHBondContact O-CA 3.47Å; A135-T143 PolarHBondContact N-O 3.2Å; A135-T143 PolarHBondContact O-N 3.28Å; A135-E236 HydrophobicContact CB-CB 3.94Å; A135-E236 HydrophobicContact CB-CG 4.11Å; A135-N238 VanDerWaalsContact CB-O 3.28Å; A135-N238 WeakPolarHBondContact CB-O 3.2Å |
| 136 | R | 94.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 69.7 Ų | 69.7 | 9% | 0.087 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.4 | 173.1 | -177.2 | -175.8 | 69 | 175.6 | -14.5 | 110.1 | Q140 R141 L213 N238 L245 | R136-Q140 VanDerWaalsContact CD-OE1 3.24Å; R136-R141 WeakPolarHBondContact CA-O 3.46Å; R136-L213 HydrophobicContact CB-CD1 4Å; R136-L213 HydrophobicContact CG-CD1 3.87Å; R136-N238 WeakPolarHBondContact CB-OD1 3.23Å; R136-N238 PolarHBondContact N-OD1 3.46Å; R136-N238 PolarHBondContact O-ND2 2.69Å; R136-N238 PolarHBondContact O-OD1 3.26Å; R136-L245 HydrophobicContact CB-CD1 3.77Å; R136-L245 HydrophobicContact CB-CD2 4.34Å |
| 137 | N | 93.1 | Very high | 93 | Very high | 28 Ų | 28 | 70.4 Ų | 70.4 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | trans | -83.4 | 179.9 | 176 | 79.6 | -2.8 | 0 | 0 | 0 | 113.1 | E139 Q140 R141 T143 E236 | N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact ND2-OE2 3.22Å; N137-E139 PolarHBondContact O-N 3.15Å; N137-E139 WeakPolarHBondContact OD1-CA 3.48Å; N137-E139 PolarHBondContact OD1-N 3.08Å; N137-E139 PolarHBondContact OD1-OE2 2.92Å; N137-Q140 PolarHBondContact O-N 3.08Å; N137-Q140 PolarHBondContact OD1-N 3.31Å; N137-Q140 VanDerWaalsContact OD1-N 3.16Å; N137-R141 PolarHBondContact N-O 2.79Å; N137-R141 PolarHBondContact OD1-N 3.28Å; N137-R141 PolarHBondContact OD1-O 2.94Å; N137-T143 HydrophobicContact CB-CG2 3.78Å; N137-E236 WeakPolarHBondContact CA-OE2 3.23Å | ||
| 138 | K | 89.5 | Confident | 92.8 | Very high | 160 Ų | 160 | 69.2 Ų | 69.2 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33 | 178.6 | -66 | -179 | -178.7 | 176.9 | 0 | 113.3 | Q140 | K138-Q140 PolarHBondContact O-N 3.07Š|
| 139 | E | 91.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 68 Ų | 68 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 12.4 | 175.5 | -58.4 | 71.4 | -140.5 | 0 | 0 | 113.6 | N137 R141 | N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact ND2-OE2 3.22Å; N137-E139 PolarHBondContact O-N 3.15Å; N137-E139 WeakPolarHBondContact OD1-CA 3.48Å; N137-E139 PolarHBondContact OD1-N 3.08Å; N137-E139 PolarHBondContact OD1-OE2 2.92Å; E139-R141 PolarHBondContact O-N 3.26Å |
| 140 | Q | 89.6 | Confident | 92.1 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 63 | 20.2 | -179.2 | -51.3 | -64.1 | -53.2 | 0 | 0 | 114.3 | R136 N137 K138 | R136-Q140 VanDerWaalsContact CD-OE1 3.24Å; N137-Q140 PolarHBondContact O-N 3.08Å; N137-Q140 PolarHBondContact OD1-N 3.31Å; N137-Q140 VanDerWaalsContact OD1-N 3.16Å; K138-Q140 PolarHBondContact O-N 3.07Å |
| 141 | R | 92.4 | Very high | 91.3 | Very high | 178 Ų | 178 | 57.1 Ų | 57.1 | 67% | 0.672 | 27% | 0.266 | S | S | * | . | trans | -99 | 149.8 | 177.3 | -69.4 | -174.6 | 160 | 118.4 | -1 | 111.2 | R136 N137 E139 | R136-R141 WeakPolarHBondContact CA-O 3.46Å; N137-R141 PolarHBondContact N-O 2.79Å; N137-R141 PolarHBondContact OD1-N 3.28Å; N137-R141 PolarHBondContact OD1-O 2.94Å; E139-R141 PolarHBondContact O-N 3.26Å | ||
| 142 | L | 94.9 | Very high | 90.1 | Very high | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.1 | 171.7 | -65.9 | -176.7 | 0 | 0 | 0 | 110.1 | L134 A135 Q207 G211 L213 I240 | L134-L142 HydrophobicContact CD1-CB 4.05Å; L134-L142 HydrophobicContact CD2-CD1 3.97Å; L134-L142 HydrophobicContact CG-CB 4.34Å; L134-L142 HydrophobicContact CG-CD1 4.49Å; L134-L142 HydrophobicContact CG-CD2 4.42Å; A135-L142 CarbonylContact O-C 3.57Å; A135-L142 VanDerWaalsContact O-CA 3.28Å; A135-L142 WeakPolarHBondContact O-CA 3.47Å; L142-Q207 HydrophobicContact CD1-CG 4.13Å; L142-G211 VanDerWaalsContact CD1-O 3.25Å; L142-G211 WeakPolarHBondContact CD1-O 3.26Å; L142-L213 HydrophobicContact CD2-CD1 4Å; L142-L213 HydrophobicContact CD2-CD2 3.91Å; L142-L213 HydrophobicContact CD2-CG 3.76Å; L142-L213 HydrophobicContact CG-CG 4.23Å; L142-I240 HydrophobicContact CD2-CD1 3.87Å; L142-I240 HydrophobicContact CD2-CG1 3.98Å |
| 143 | T | 95.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 159.5 | 178.4 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | A135 N137 E236 | A135-T143 PolarHBondContact N-O 3.2Å; A135-T143 PolarHBondContact O-N 3.28Å; N137-T143 HydrophobicContact CB-CG2 3.78Å; T143-E236 HydrophobicContact CG2-CG 4.22Å |
| 144 | Y | 96.8 | Very high | 87.3 | Confident | 107 Ų | 107 | 61 Ų | 61 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 114 | 172.7 | -75.8 | -62.4 | 0 | 0 | 0 | 111 | T115 N116 K132 V133 L134 | T115-Y144 PolarHBondContact O-OH 2.87Å; N116-Y144 HydrophobicContact CB-CD1 3.95Å; N116-Y144 HydrophobicContact CB-CD2 3.9Å; N116-Y144 HydrophobicContact CB-CE1 4.12Å; N116-Y144 HydrophobicContact CB-CE2 4.05Å; N116-Y144 HydrophobicContact CB-CG 3.85Å; K132-Y144 WeakPolarHBondContact O-CD1 3.25Å; V133-Y144 CarbonylContact O-C 3.56Å; V133-Y144 WeakPolarHBondContact O-CA 3.29Å; L134-Y144 HydrophobicContact CB-CD1 4.46Å; L134-Y144 HydrophobicContact CB-CE1 4.23Å; L134-Y144 HydrophobicContact CD1-CD1 4.23Å; L134-Y144 HydrophobicContact CD1-CE1 4Å |
| 145 | S | 96 | Very high | 85.9 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.8 | -179.5 | -172 | 0 | 0 | 0 | 0 | 111.3 | K132 V133 E235 E236 | K132-S145 CarbonylContact C-O 3.58Å; K132-S145 WeakPolarHBondContact CA-O 3.36Å; V133-S145 PolarHBondContact N-O 2.5Å; V133-S145 PolarHBondContact O-N 3.46Å; S145-E235 WeakPolarHBondContact OG-CB 3.35Å; S145-E235 PolarHBondContact OG-N 3.32Å; S145-E236 PolarHBondContact OG-N 2.82Å |
| 146 | P | 93.8 | Very high | 84.7 | Confident | 33 Ų | 33 | 72.8 Ų | 72.8 | 21% | 0.214 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 145.4 | 174.4 | 28.4 | -33.8 | 0 | 0 | 0 | 111.4 | K132 M148 T234 E235 | K132-P146 HydrophobicContact CG-CB 4.4Å; P146-M148 HydrophobicContact CB-SD 4.21Å; P146-M148 HydrophobicContact CG-SD 3.88Å; P146-M148 PolarHBondContact O-N 3.34Å; P146-T234 VanDerWaalsContact O-CA 3.31Å; P146-T234 WeakPolarHBondContact O-CA 3.42Å; P146-E235 HydrophobicContact CG-CB 4.01Å; P146-E235 PolarHBondContact O-N 3.47Å |
| 147 | V | 89.8 | Confident | 83.9 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 21% | 0.206 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.9 | 167.4 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | L125 V133 W150 P232 I233 | L125-V147 HydrophobicContact CD2-CG2 4.07Å; V133-V147 HydrophobicContact CG1-CG2 3.95Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å; V147-W150 HydrophobicContact CG1-CZ2 4.18Å; V147-P232 HydrophobicContact CG1-CB 3.82Å; V147-I233 CarbonylContact C-O 3.49Å |
| 148 | M | 84.1 | Confident | 83.5 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -38.5 | -174.5 | -57 | -59.7 | -71.9 | 0 | 0 | 112 | P146 I233 E235 F266 | P146-M148 HydrophobicContact CB-SD 4.21Å; P146-M148 HydrophobicContact CG-SD 3.88Å; P146-M148 PolarHBondContact O-N 3.34Å; M148-I233 PolarHBondContact N-O 3.27Å; M148-E235 HydrophobicContact CG-CB 4.24Å; M148-E235 HydrophobicContact SD-CB 4.32Å; M148-F266 HydrophobicContact CB-CD2 4.45Å; M148-F266 HydrophobicContact CB-CE1 3.89Å; M148-F266 HydrophobicContact CB-CE2 3.72Å; M148-F266 HydrophobicContact CB-CZ 3.4Å; M148-F266 VanDerWaalsContact CB-CZ 3.4Å; M148-F266 HydrophobicContact CE-CB 4.49Å; M148-F266 HydrophobicContact CE-CD1 4.37Å; M148-F266 HydrophobicContact CE-CD2 4.25Å; M148-F266 HydrophobicContact CE-CG 4.14Å; M148-F266 HydrophobicContact CG-CE2 4.09Å; M148-F266 HydrophobicContact CG-CZ 4.27Å |
| 149 | S | 78 | Confident | 83.2 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 177.2 | -180 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | I233 | S149-I233 PolarHBondContact N-O 2.86Å; S149-I233 PolarHBondContact O-N 3.03Å |
| 150 | W | 82.6 | Confident | 83.2 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.1 | 176.9 | -65.5 | 78.2 | 0 | 0 | 0 | 109.3 | M122 L125 I126 V147 Y230 S231 P232 | M122-W150 HydrophobicContact SD-CH2 4.26Å; M122-W150 HydrophobicContact SD-CZ3 4.27Å; L125-W150 HydrophobicContact CB-CH2 4.14Å; L125-W150 HydrophobicContact CB-CZ2 4.31Å; L125-W150 HydrophobicContact CD2-CH2 3.69Å; L125-W150 HydrophobicContact CD2-CZ2 3.85Å; L125-W150 HydrophobicContact CG-CH2 4Å; L125-W150 HydrophobicContact CG-CZ2 3.87Å; I126-W150 VanDerWaalsContact CA-CZ2 3.41Å; I126-W150 HydrophobicContact CB-CD2 4.48Å; I126-W150 HydrophobicContact CB-CH2 3.9Å; I126-W150 HydrophobicContact CB-CZ2 3.78Å; I126-W150 HydrophobicContact CB-CZ3 4.35Å; I126-W150 HydrophobicContact CD1-CD2 4.1Å; I126-W150 HydrophobicContact CD1-CE3 4.19Å; I126-W150 HydrophobicContact CD1-CG 4.43Å; I126-W150 HydrophobicContact CG1-CD2 3.89Å; I126-W150 HydrophobicContact CG1-CE3 4.29Å; I126-W150 HydrophobicContact CG1-CG 4.31Å; I126-W150 HydrophobicContact CG1-CH2 4.36Å; I126-W150 HydrophobicContact CG1-CZ2 4.01Å; V147-W150 HydrophobicContact CG1-CZ2 4.18Å; W150-Y230 HydrophobicContact CE3-CD1 4.33Å; W150-Y230 HydrophobicContact CH2-CD1 4.47Å; W150-Y230 AromaticContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CG 4.38Å; W150-S231 WeakPolarHBondContact CA-O 3.3Å; W150-P232 HydrophobicContact CD2-CB 4.16Å; W150-P232 HydrophobicContact CE3-CB 3.91Å; W150-P232 HydrophobicContact CH2-CB 4.01Å; W150-P232 HydrophobicContact CH2-CG 4.41Å; W150-P232 HydrophobicContact CZ2-CB 4.2Å; W150-P232 HydrophobicContact CZ3-CB 3.82Å; W150-P232 HydrophobicContact CZ3-CG 4.09Å |
| 151 | I | 73.4 | Confident | 83.4 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 32% | 0.323 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -45.8 | 176.7 | -56.9 | 174.5 | 0 | 0 | 0 | 109.9 | S231 I233 | I151-S231 PolarHBondContact N-O 2.86Å; I151-I233 HydrophobicContact CD1-CD1 3.82Å; I151-I233 HydrophobicContact CD1-CG1 4.01Å; I151-I233 HydrophobicContact CG1-CD1 3.65Å; I151-I233 HydrophobicContact CG1-CG1 3.86Å |
| 152 | H | 68.8 | Low | 83.5 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 30% | 0.301 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.8 | 178.9 | -65.9 | 146.6 | 0 | 0 | 0 | 110.9 | C106 F229 Y230 S231 | C106-H152 PolarHBondContact SG-ND1 3.36Å; C106-H152 VanDerWaalsContact SG-ND1 3.35Å; H152-F229 CarbonylContact C-O 3.56Å; H152-Y230 WeakPolarHBondContact O-CA 3.44Å; H152-S231 PolarHBondContact O-N 3.47Å |
| 153 | A | 66.8 | Low | 83.6 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 55.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I126 F229 | I126-A153 HydrophobicContact CD1-CB 3.22Å; A153-F229 CarbonylContact C-O 3.54Å; A153-F229 VanDerWaalsContact CA-O 3.24Å; A153-F229 WeakPolarHBondContact CA-O 3.14Å; A153-F229 PolarHBondContact N-O 2.83Å |
| 154 | N | 67.5 | Low | 83.7 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 108.1 | 177 | -169.5 | -17.5 | 0 | 0 | 0 | 110.7 | K156 Q157 G228 F229 | N154-K156 PolarHBondContact O-N 3.23Å; N154-K156 PolarHBondContact OD1-N 2.8Å; N154-Q157 PolarHBondContact ND2-OE1 2.94Å; N154-Q157 VanDerWaalsContact ND2-OE1 3.16Å; N154-G228 CarbonylContact O-C 3.54Å; N154-G228 VanDerWaalsContact O-CA 3.28Å; N154-G228 WeakPolarHBondContact O-CA 3.3Å; N154-F229 HydrophobicContact CB-CB 4.34Å; N154-F229 HydrophobicContact CB-CD2 4.38Å; N154-F229 PolarHBondContact N-O 2.69Å; N154-F229 PolarHBondContact O-N 3.2Å |
| 155 | K | 67.4 | Low | 83.8 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.378 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -21.4 | -172.4 | -47.2 | -162.9 | 176.7 | -174.6 | 0 | 114.6 | K227 Y230 | K155-K227 VanDerWaalsContact O-CE 3.31Å; K155-K227 WeakPolarHBondContact O-CE 3.33Å; K155-Y230 WeakPolarHBondContact CG-OH 3.15Å |
| 156 | K | 73.5 | Confident | 83.9 | Confident | 176 Ų | 176 | 50.6 Ų | 50.6 | 77% | 0.765 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -13.6 | -163 | -65.5 | -173.7 | -179.6 | -179.4 | 0 | 114.9 | N154 | N154-K156 PolarHBondContact O-N 3.23Å; N154-K156 PolarHBondContact OD1-N 2.8Å |
| 157 | Q | 78.1 | Confident | 84 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.5 | -173.5 | -170.2 | -172.4 | -17.5 | 0 | 0 | 111.2 | N154 G228 F229 | N154-Q157 PolarHBondContact ND2-OE1 2.94Å; N154-Q157 VanDerWaalsContact ND2-OE1 3.16Å; Q157-G228 PolarHBondContact O-N 3.34Å; Q157-F229 HydrophobicContact CB-CD2 3.87Å; Q157-F229 HydrophobicContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CD-CE2 3.45Å; Q157-F229 HydrophobicContact CG-CD2 4.3Å; Q157-F229 HydrophobicContact CG-CE2 3.47Å; Q157-F229 VanDerWaalsContact CG-CE2 3.47Å; Q157-F229 HydrophobicContact CG-CZ 4.22Å |
| 158 | Y | 84.4 | Confident | 84.3 | Confident | 128 Ų | 128 | 53.7 Ų | 53.7 | 50% | 0.502 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 149.5 | 172.3 | -74.2 | -104.9 | 0 | 0 | 0 | 110.4 | E225 K226 K227 | Y158-E225 HydrophobicContact CD1-CG 4.17Å; Y158-K226 WeakPolarHBondContact CA-O 3.46Å; Y158-K227 HydrophobicContact CD1-CB 4.11Å; Y158-K227 HydrophobicContact CD2-CG 4.36Å; Y158-K227 HydrophobicContact CE1-CB 3.78Å; Y158-K227 HydrophobicContact CE1-CG 4.41Å; Y158-K227 HydrophobicContact CE2-CB 4.22Å; Y158-K227 HydrophobicContact CE2-CD 4.15Å; Y158-K227 HydrophobicContact CE2-CG 3.95Å; Y158-K227 HydrophobicContact CG-CB 4.49Å |
| 159 | A | 83.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y161 E225 K226 F229 | A159-Y161 HydrophobicContact CB-CD2 3.96Å; A159-Y161 HydrophobicContact CB-CE2 3.52Å; A159-Y161 VanDerWaalsContact O-CD2 3.32Å; A159-Y161 WeakPolarHBondContact O-CD2 3.32Å; A159-E225 VanDerWaalsContact O-CA 3.32Å; A159-E225 WeakPolarHBondContact O-CA 3.43Å; A159-K226 PolarHBondContact N-O 3.16Å; A159-K226 PolarHBondContact O-N 2.78Å; A159-F229 HydrophobicContact CB-CD1 4.43Å; A159-F229 HydrophobicContact CB-CE1 3.37Å; A159-F229 HydrophobicContact CB-CE2 3.92Å; A159-F229 HydrophobicContact CB-CZ 3.09Å |
| 160 | E | 89.6 | Confident | 85.8 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 134.3 | 159.7 | -172.2 | 178.7 | 93.6 | 0 | 0 | 109.9 | P176 K223 A224 | E160-P176 WeakPolarHBondContact O-CD 3.4Å; E160-K223 VanDerWaalsContact CD-NZ 3.25Å; E160-K223 IonicContact OE1-NZ 3.95Å; E160-K223 PolarHBondContact OE1-NZ 2.88Å; E160-K223 WeakPolarHBondContact OE2-CD 3.39Å; E160-K223 WeakPolarHBondContact OE2-CE 3.45Å; E160-K223 IonicContact OE2-NZ 2.69Å; E160-K223 PolarHBondContact OE2-NZ 3.42Å; E160-A224 CarbonylContact C-O 3.4Å |
| 161 | Y | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.2 | 174.6 | -78.3 | -101.2 | 0 | 0 | 0 | 109.7 | C106 F107 P108 A159 L174 T175 K223 A224 K226 G228 | C106-Y161 WeakPolarHBondContact O-CE1 3.33Å; F107-Y161 PolarHBondContact O-OH 3.06Å; P108-Y161 HydrophobicContact CB-CE1 4.05Å; P108-Y161 HydrophobicContact CB-CE2 4.42Å; P108-Y161 VanDerWaalsContact CD-CE1 3.43Å; P108-Y161 HydrophobicContact CG-CE1 4.21Å; A159-Y161 HydrophobicContact CB-CD2 3.96Å; A159-Y161 HydrophobicContact CB-CE2 3.52Å; A159-Y161 VanDerWaalsContact O-CD2 3.32Å; A159-Y161 WeakPolarHBondContact O-CD2 3.32Å; Y161-L174 CarbonylContact C-O 3.49Å; Y161-L174 WeakPolarHBondContact CA-O 3.36Å; Y161-T175 HydrophobicContact CD1-CG2 4.17Å; Y161-T175 HydrophobicContact CE1-CG2 3.63Å; Y161-T175 HydrophobicContact CE2-CG2 4.1Å; Y161-K223 CarbonylContact O-C 3.53Å; Y161-K223 WeakPolarHBondContact O-CA 3.05Å; Y161-A224 PolarHBondContact N-O 2.89Å; Y161-A224 PolarHBondContact O-N 2.82Å; Y161-K226 HydrophobicContact CD2-CB 3.48Å; Y161-K226 VanDerWaalsContact CD2-CB 3.48Å; Y161-K226 HydrophobicContact CD2-CG 3.9Å; Y161-K226 HydrophobicContact CE2-CB 3.73Å; Y161-K226 HydrophobicContact CG-CB 3.99Å; Y161-K226 HydrophobicContact CG-CG 3.94Å; Y161-G228 PolarHBondContact OH-O 3.42Å |
| 162 | V | 95.9 | Very high | 87.6 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109.3 | 164 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | V164 S173 L174 A195 L221 K222 | V162-V164 HydrophobicContact CG1-CG2 4.13Å; V162-S173 WeakPolarHBondContact O-CA 3.44Å; V162-L174 PolarHBondContact N-O 2.83Å; V162-L174 PolarHBondContact O-N 2.84Å; V162-A195 HydrophobicContact CB-CB 4.27Å; V162-A195 HydrophobicContact CG2-CB 4.3Å; V162-L221 HydrophobicContact CG1-CD2 4.07Å; V162-K222 CarbonylContact C-O 3.6Å; V162-K222 WeakPolarHBondContact CA-O 3.46Å |
| 163 | D | 96.6 | Very high | 88.9 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.8 | 168.8 | -83.4 | 9.3 | 0 | 0 | 0 | 108.8 | S173 L221 K222 A224 K226 | D163-S173 VanDerWaalsContact OD1-CB 3.25Å; D163-S173 WeakPolarHBondContact OD1-CB 3.16Å; D163-S173 PolarHBondContact OD1-OG 3.47Å; D163-L221 CarbonylContact O-C 3.39Å; D163-L221 WeakPolarHBondContact O-CA 3.45Å; D163-K222 HydrophobicContact CB-CB 4.23Å; D163-K222 PolarHBondContact N-O 3.46Å; D163-K222 PolarHBondContact O-N 2.92Å; D163-A224 HydrophobicContact CB-CB 4.36Å; D163-A224 VanDerWaalsContact CG-CB 3.47Å; D163-A224 WeakPolarHBondContact OD2-CB 3.28Å; D163-K226 WeakPolarHBondContact OD1-CE 2.84Å; D163-K226 IonicContact OD2-NZ 2.99Å |
| 164 | V | 97.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.5 | 178.9 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | V162 R171 L172 L198 L204 I218 L221 | V162-V164 HydrophobicContact CG1-CG2 4.13Å; V164-R171 VanDerWaalsContact O-CA 3.31Å; V164-R171 WeakPolarHBondContact O-CA 3.39Å; V164-L172 PolarHBondContact N-O 2.75Å; V164-L172 PolarHBondContact O-N 2.9Å; V164-L198 HydrophobicContact CB-CD1 4.46Å; V164-L198 HydrophobicContact CG1-CD1 4.24Å; V164-L198 HydrophobicContact CG2-CD1 3.39Å; V164-L204 HydrophobicContact CG1-CD1 3.69Å; V164-I218 HydrophobicContact CG1-CD1 4.27Å; V164-I218 HydrophobicContact CG1-CG1 4.02Å; V164-I218 HydrophobicContact CG1-CG2 3.92Å; V164-L221 HydrophobicContact CB-CD2 4.11Å; V164-L221 HydrophobicContact CG1-CD2 3.81Å; V164-L221 HydrophobicContact CG2-CD2 3.76Å |
| 165 | I | 98 | Very high | 91.4 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.6 | 178.8 | -56.4 | 154.9 | 0 | 0 | 0 | 108.6 | H170 R171 V219 E220 | I165-H170 WeakPolarHBondContact CA-O 3.43Å; I165-R171 HydrophobicContact CG1-CG 4.15Å; I165-R171 HydrophobicContact CG2-CG 4.49Å; I165-V219 HydrophobicContact CB-CG2 4.43Å; I165-V219 HydrophobicContact CG2-CG2 4.02Å; I165-V219 WeakPolarHBondContact O-CG2 3.37Å; I165-V219 PolarHBondContact O-N 2.75Å; I165-E220 HydrophobicContact CB-CB 4.12Å; I165-E220 HydrophobicContact CD1-CB 4.01Å; I165-E220 HydrophobicContact CD1-CG 3.86Å; I165-E220 WeakPolarHBondContact CD1-OE2 3.33Å; I165-E220 PolarHBondContact N-O 3.18Å; I165-E220 PolarHBondContact O-N 3.35Å |
| 166 | T | 98.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 163.6 | 178.9 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | T168 N169 H170 L204 V206 A216 R217 | T166-T168 PolarHBondContact O-N 3.21Å; T166-T168 VanDerWaalsContact O-N 3.12Å; T166-T168 PolarHBondContact OG1-N 2.86Å; T166-T168 PolarHBondContact OG1-OG1 3.25Å; T166-N169 PolarHBondContact O-N 2.86Å; T166-H170 HydrophobicContact CG2-CB 4.35Å; T166-H170 PolarHBondContact N-O 3.45Å; T166-H170 WeakPolarHBondContact OG1-CB 3.33Å; T166-H170 PolarHBondContact OG1-N 3.26Å; T166-L204 HydrophobicContact CG2-CD1 4.48Å; T166-V206 HydrophobicContact CG2-CG1 4.23Å; T166-A216 HydrophobicContact CG2-CB 4.38Å; T166-R217 CarbonylContact C-O 3.55Å; T166-R217 WeakPolarHBondContact CA-O 3.32Å; T166-R217 WeakPolarHBondContact CB-O 3.47Å |
| 167 | E | 97.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 47% | 0.467 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -18.6 | 174.7 | 73.2 | -166.4 | 152.6 | 0 | 0 | 112.9 | N169 R217 V219 | E167-N169 VanDerWaalsContact C-N 3.31Å; E167-R217 HydrophobicContact CB-CB 4.4Å; E167-R217 VanDerWaalsContact CD-CB 3.4Å; E167-R217 HydrophobicContact CG-CB 4.14Å; E167-R217 PolarHBondContact N-O 3.35Å; E167-R217 WeakPolarHBondContact OE1-CB 3.16Å; E167-R217 PolarHBondContact OE1-N 2.97Å; E167-R217 WeakPolarHBondContact OE2-CB 3.38Å; E167-V219 HydrophobicContact CB-CG1 3.67Å |
| 168 | T | 96.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 19% | 0.19 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 16.6 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | T166 H170 A216 | T166-T168 PolarHBondContact O-N 3.21Å; T166-T168 VanDerWaalsContact O-N 3.12Å; T166-T168 PolarHBondContact OG1-N 2.86Å; T166-T168 PolarHBondContact OG1-OG1 3.25Å; T168-H170 PolarHBondContact O-N 2.84Å; T168-H170 PolarHBondContact O-ND1 3.4Å; T168-H170 PolarHBondContact OG1-CE1 3.38Å; T168-H170 PolarHBondContact OG1-ND1 2.97Å; T168-A216 HydrophobicContact CG2-CB 3.83Å; T168-A216 WeakPolarHBondContact OG1-CB 3.48Å |
| 169 | N | 95.7 | Very high | 94.1 | Very high | 126 Ų | 126 | 30.9 Ų | 30.9 | 67% | 0.674 | 15% | 0.151 | S | C | * | . | trans | 61.1 | 16 | 179.5 | -67.8 | -48.9 | 0 | 0 | 0 | 116 | T166 E167 | T166-N169 PolarHBondContact O-N 2.86Å; E167-N169 VanDerWaalsContact C-N 3.31Å | ||
| 170 | H | 96.7 | Very high | 94.7 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 17% | 0.167 | 15% | 0.151 | C | C | . | . | trans | -71.1 | 141 | 169.6 | -63.2 | 73.5 | 0 | 0 | 0 | 109.1 | I165 T166 T168 V206 N242 V244 | I165-H170 WeakPolarHBondContact CA-O 3.43Å; T166-H170 HydrophobicContact CG2-CB 4.35Å; T166-H170 PolarHBondContact N-O 3.45Å; T166-H170 WeakPolarHBondContact OG1-CB 3.33Å; T166-H170 PolarHBondContact OG1-N 3.26Å; T168-H170 PolarHBondContact O-N 2.84Å; T168-H170 PolarHBondContact O-ND1 3.4Å; T168-H170 PolarHBondContact OG1-CE1 3.38Å; T168-H170 PolarHBondContact OG1-ND1 2.97Å; H170-V206 HydrophobicContact CB-CG1 4.3Å; H170-N242 PolarHBondContact CD2-O 3.09Å; H170-V244 HydrophobicContact CB-CG2 3.75Å | ||
| 171 | R | 96.9 | Very high | 94.9 | Very high | 143 Ų | 143 | 27.8 Ų | 27.8 | 54% | 0.54 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 116.9 | -179.6 | -58.4 | -172.4 | -179.7 | -97.3 | -6.2 | 109.5 | V164 I165 N242 | V164-R171 VanDerWaalsContact O-CA 3.31Å; V164-R171 WeakPolarHBondContact O-CA 3.39Å; I165-R171 HydrophobicContact CG1-CG 4.15Å; I165-R171 HydrophobicContact CG2-CG 4.49Å; R171-N242 WeakPolarHBondContact O-CB 3.34Å; R171-N242 PolarHBondContact O-ND2 2.99Å |
| 172 | L | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.6 | 178.7 | 177.9 | 65.8 | 0 | 0 | 0 | 110 | F107 V164 L174 I180 V241 V244 A246 | F107-L172 HydrophobicContact CD1-CD1 4.3Å; F107-L172 HydrophobicContact CE1-CD1 4.26Å; V164-L172 PolarHBondContact N-O 2.75Å; V164-L172 PolarHBondContact O-N 2.9Å; L172-L174 HydrophobicContact CD1-CD2 4.33Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CD2 4.12Å; L172-L174 HydrophobicContact CD2-CG 3.93Å; L172-L174 HydrophobicContact CG-CD1 4.44Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L172-I180 HydrophobicContact CD2-CD1 3.75Å; L172-V241 HydrophobicContact CD1-CB 3.68Å; L172-V241 HydrophobicContact CD1-CG1 3.59Å; L172-V244 HydrophobicContact CB-CB 4.24Å; L172-V244 HydrophobicContact CB-CG2 4.03Å; L172-V244 HydrophobicContact CD2-CB 3.92Å; L172-V244 HydrophobicContact CD2-CG1 3.75Å; L172-A246 HydrophobicContact CD2-CB 4.44Å |
| 173 | S | 96.4 | Very high | 95 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.1 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | P108 V162 D163 K226 | P108-S173 WeakPolarHBondContact CD-O 3.4Å; V162-S173 WeakPolarHBondContact O-CA 3.44Å; D163-S173 VanDerWaalsContact OD1-CB 3.25Å; D163-S173 WeakPolarHBondContact OD1-CB 3.16Å; D163-S173 PolarHBondContact OD1-OG 3.47Å; S173-K226 WeakPolarHBondContact OG-CE 3.38Å |
| 174 | L | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.8 | 178 | -65.8 | 177.3 | 0 | 0 | 0 | 111.2 | F107 Y161 V162 L172 H178 I180 A195 | F107-L174 HydrophobicContact CD1-CD2 3.48Å; F107-L174 VanDerWaalsContact CD1-CD2 3.48Å; F107-L174 HydrophobicContact CE1-CD2 3.21Å; F107-L174 HydrophobicContact CZ-CD2 4.08Å; Y161-L174 CarbonylContact C-O 3.49Å; Y161-L174 WeakPolarHBondContact CA-O 3.36Å; V162-L174 PolarHBondContact N-O 2.83Å; V162-L174 PolarHBondContact O-N 2.84Å; L172-L174 HydrophobicContact CD1-CD2 4.33Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CD2 4.12Å; L172-L174 HydrophobicContact CD2-CG 3.93Å; L172-L174 HydrophobicContact CG-CD1 4.44Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L174-H178 HydrophobicContact CB-CB 3.95Å; L174-H178 HydrophobicContact CD1-CB 4.44Å; L174-H178 HydrophobicContact CD2-CB 4.22Å; L174-H178 HydrophobicContact CG-CB 4.44Å; L174-I180 HydrophobicContact CD1-CB 4.01Å; L174-I180 HydrophobicContact CD1-CD1 3.86Å; L174-I180 HydrophobicContact CD1-CG1 4.45Å; L174-I180 HydrophobicContact CD1-CG2 4.34Å; L174-A195 HydrophobicContact CB-CB 3.7Å; L174-A195 HydrophobicContact CD1-CB 3.96Å; L174-A195 HydrophobicContact CG-CB 4.5Å |
| 175 | T | 91.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -63.5 | 154.3 | 167.7 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | A104 R105 C106 Y161 L177 H178 A195 F229 | A104-T175 HydrophobicContact CB-CG2 4.1Å; A104-T175 WeakPolarHBondContact O-CB 3.33Å; A104-T175 PolarHBondContact O-OG1 3.27Å; R105-T175 WeakPolarHBondContact CA-OG1 3.36Å; R105-T175 PolarHBondContact N-OG1 2.86Å; C106-T175 HydrophobicContact CB-CG2 4.04Å; C106-T175 PolarHBondContact N-OG1 2.94Å; C106-T175 PolarHBondContact O-N 3.35Å; C106-T175 VanDerWaalsContact O-N 3.11Å; Y161-T175 HydrophobicContact CD1-CG2 4.17Å; Y161-T175 HydrophobicContact CE1-CG2 3.63Å; Y161-T175 HydrophobicContact CE2-CG2 4.1Å; T175-L177 PolarHBondContact O-N 2.76Å; T175-H178 WeakPolarHBondContact O-CB 3.41Å; T175-H178 PolarHBondContact O-N 3.18Å; T175-A195 WeakPolarHBondContact O-CB 3.3Å; T175-F229 HydrophobicContact CG2-CD1 4.43Å; T175-F229 HydrophobicContact CG2-CE1 4.33Å | ||
| 176 | P | 91.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.4 | -170.5 | -32.7 | 37.5 | 0 | 0 | 0 | 116.4 | E160 A195 K196 | E160-P176 WeakPolarHBondContact O-CD 3.4Å; P176-A195 PolarHBondContact O-N 3.06Å; P176-K196 HydrophobicContact CB-CB 4.02Å; P176-K196 HydrophobicContact CB-CD 4.35Å; P176-K196 WeakPolarHBondContact O-CB 3.25Å; P176-K196 WeakPolarHBondContact O-CG 3.44Å; P176-K196 PolarHBondContact O-N 3.29Å |
| 177 | L | 87.9 | Confident | 93.5 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.7 | -177 | -56 | -173.8 | 0 | 0 | 0 | 114.3 | G102 R105 T175 M194 K196 | G102-L177 VanDerWaalsContact O-CD1 3.3Å; G102-L177 WeakPolarHBondContact O-CD1 3.43Å; R105-L177 HydrophobicContact CG-CB 3.74Å; T175-L177 PolarHBondContact O-N 2.76Å; L177-M194 HydrophobicContact CB-SD 4.5Å; L177-M194 HydrophobicContact CD2-SD 3.68Å; L177-K196 HydrophobicContact CD2-CD 4Å |
| 178 | H | 91.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | trans | -66.6 | 135.5 | 179.1 | -158.2 | 113 | 0 | 0 | 0 | 110.9 | R105 C106 F107 L174 T175 M194 A195 S247 | R105-H178 VanDerWaalsContact C-ND1 3.27Å; C106-H178 PolarHBondContact N-ND1 2.68Å; F107-H178 AromaticContact CD2-CE1 3.77Å; F107-H178 AromaticContact CE1-CE1 3.98Å; F107-H178 AromaticContact CE1-NE2 3.95Å; F107-H178 AromaticContact CE2-CE1 3.23Å; F107-H178 WeakPolarHBondContact CE2-CE1 3.22Å; F107-H178 AromaticContact CE2-NE2 3.59Å; F107-H178 AromaticContact CZ-CE1 3.34Å; F107-H178 WeakPolarHBondContact CZ-CE1 3.44Å; F107-H178 AromaticContact CZ-NE2 3.25Å; F107-H178 WeakPolarHBondContact CZ-NE2 3.21Å; L174-H178 HydrophobicContact CB-CB 3.95Å; L174-H178 HydrophobicContact CD1-CB 4.44Å; L174-H178 HydrophobicContact CD2-CB 4.22Å; L174-H178 HydrophobicContact CG-CB 4.44Å; T175-H178 WeakPolarHBondContact O-CB 3.41Å; T175-H178 PolarHBondContact O-N 3.18Å; H178-M194 CarbonylContact O-C 3.53Å; H178-M194 WeakPolarHBondContact O-CA 3.39Å; H178-A195 PolarHBondContact O-N 3.43Å; H178-S247 PolarHBondContact NE2-O 2.92Å | ||
| 179 | L | 91.2 | Very high | 91.8 | Very high | 26 Ų | 26 | 45.9 Ų | 45.9 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 138.1 | 179.6 | -63.3 | 176.4 | 0 | 0 | 0 | 112.7 | T192 V193 M194 S247 F249 | L179-T192 HydrophobicContact CB-CG2 3.71Å; L179-T192 HydrophobicContact CD1-CG2 3.94Å; L179-T192 HydrophobicContact CD2-CG2 4.26Å; L179-T192 HydrophobicContact CG-CG2 4.17Å; L179-V193 CarbonylContact C-O 3.44Å; L179-V193 VanDerWaalsContact CA-O 3.3Å; L179-V193 WeakPolarHBondContact CA-O 3.27Å; L179-M194 HydrophobicContact CD2-CG 3.87Å; L179-S247 WeakPolarHBondContact O-CB 3.4Å; L179-S247 PolarHBondContact O-N 3.45Å; L179-F249 VanDerWaalsContact CB-O 3.23Å; L179-F249 WeakPolarHBondContact CB-O 3.32Å; L179-F249 HydrophobicContact CD1-CB 4.46Å; L179-F249 WeakPolarHBondContact CG-O 3.34Å; L179-F249 PolarHBondContact N-O 3.16Å |
| 180 | I | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152.8 | 178.8 | -173.9 | 167.3 | 0 | 0 | 0 | 110.7 | L172 L174 T192 V193 L198 L204 V244 | L172-I180 HydrophobicContact CD2-CD1 3.75Å; L174-I180 HydrophobicContact CD1-CB 4.01Å; L174-I180 HydrophobicContact CD1-CD1 3.86Å; L174-I180 HydrophobicContact CD1-CG1 4.45Å; L174-I180 HydrophobicContact CD1-CG2 4.34Å; I180-T192 WeakPolarHBondContact O-CA 3.37Å; I180-V193 HydrophobicContact CG2-CG2 4.08Å; I180-V193 PolarHBondContact N-O 3.46Å; I180-V193 PolarHBondContact O-N 2.84Å; I180-L198 HydrophobicContact CG2-CD1 4.04Å; I180-L198 HydrophobicContact CG2-CD2 3.65Å; I180-L198 HydrophobicContact CG2-CG 3.95Å; I180-L204 HydrophobicContact CD1-CD1 3.7Å; I180-L204 HydrophobicContact CD1-CD2 3.78Å; I180-L204 HydrophobicContact CD1-CG 4.34Å; I180-L204 HydrophobicContact CG1-CD2 3.99Å; I180-V244 HydrophobicContact CD1-CG1 4.23Å |
| 181 | Y | 94.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.1 | 179.4 | -56.4 | -72.2 | 0 | 0 | 0 | 111 | T190 K191 L204 N238 L245 E255 | Y181-T190 HydrophobicContact CD1-CG2 3.88Å; Y181-T190 HydrophobicContact CG-CG2 4.19Å; Y181-K191 CarbonylContact C-O 3.54Å; Y181-K191 WeakPolarHBondContact CA-O 3.4Å; Y181-L204 WeakPolarHBondContact O-CD2 3.32Å; Y181-N238 HydrophobicContact CE2-CB 4.08Å; Y181-L245 HydrophobicContact CD2-CB 4.44Å; Y181-L245 HydrophobicContact CD2-CD2 3.55Å; Y181-L245 HydrophobicContact CD2-CG 3.61Å; Y181-L245 HydrophobicContact CE2-CD2 3.88Å; Y181-L245 HydrophobicContact CE2-CG 3.81Å; Y181-L245 HydrophobicContact CG-CD2 4.25Å; Y181-E255 VanDerWaalsContact CE1-OE2 3.25Å; Y181-E255 WeakPolarHBondContact CE1-OE2 3.48Å; Y181-E255 VanDerWaalsContact OH-CD 3.28Å; Y181-E255 PolarHBondContact OH-OE1 2.86Å; Y181-E255 PolarHBondContact OH-OE2 3.06Å |
| 182 | E | 95.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.3 | 177.6 | -167.9 | -172.3 | -117.1 | 0 | 0 | 110.8 | K191 V193 L198 T199 N202 C203 | E182-K191 PolarHBondContact N-O 3.4Å; E182-K191 PolarHBondContact O-N 3.01Å; E182-V193 HydrophobicContact CB-CG2 3.84Å; E182-L198 HydrophobicContact CB-CD2 4.27Å; E182-L198 HydrophobicContact CG-CD2 4.28Å; E182-T199 PolarHBondContact OE1-N 3.34Å; E182-N202 HydrophobicContact CG-CB 3.69Å; E182-N202 PolarHBondContact OE1-ND2 2.8Å; E182-N202 PolarHBondContact OE2-ND2 2.76Å; E182-C203 CarbonylContact C-O 3.56Å; E182-C203 WeakPolarHBondContact CA-O 3.36Å |
| 183 | T | 95.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 168 | 174.5 | 85.4 | 0 | 0 | 0 | 0 | 111.4 | C185 T190 N202 C203 Y205 E215 | T183-C185 VanDerWaalsContact C-N 3.27Å; T183-C185 PolarHBondContact O-N 3.32Å; T183-C185 PolarHBondContact OG1-N 2.89Å; T183-T190 HydrophobicContact CG2-CG2 4.39Å; T183-N202 WeakPolarHBondContact O-CB 3.34Å; T183-C203 PolarHBondContact N-O 2.52Å; T183-C203 PolarHBondContact O-N 2.88Å; T183-C203 WeakPolarHBondContact OG1-CB 3.23Å; T183-Y205 HydrophobicContact CG2-CD2 4.4Å; T183-Y205 HydrophobicContact CG2-CE1 4.47Å; T183-Y205 HydrophobicContact CG2-CE2 3.61Å; T183-E215 WeakPolarHBondContact CB-OE1 3.31Å; T183-E215 WeakPolarHBondContact CG2-OE1 3.46Å; T183-E215 PolarHBondContact OG1-OE1 2.96Å |
| 184 | N | 94.1 | Very high | 90.2 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | trans | -86.9 | 13.4 | 177.8 | 67.1 | 1.3 | 0 | 0 | 0 | 113.9 | K186 | N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 WeakPolarHBondContact OD1-CB 3.13Å; N184-K186 PolarHBondContact OD1-N 2.61Å | ||
| 185 | C | 94.2 | Very high | 90.2 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 62.4 | 15 | -176.5 | -50.8 | 0 | 0 | 0 | 0 | 116 | T183 C203 E215 | T183-C185 VanDerWaalsContact C-N 3.27Å; T183-C185 PolarHBondContact O-N 3.32Å; T183-C185 PolarHBondContact OG1-N 2.89Å; C185-C203 VanDerWaalsContact CA-SG 3.53Å; C185-C203 HydrophobicContact CB-CB 3.98Å; C185-C203 WeakPolarHBondContact CB-SG 3.36Å; C185-C203 WeakPolarHBondContact SG-CB 3.31Å; C185-C203 PolarHBondContact SG-N 2.85Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C185-E215 VanDerWaalsContact CA-OE2 3.23Å; C185-E215 WeakPolarHBondContact CA-OE2 3.3Å |
| 186 | K | 91.2 | Very high | 90.3 | Very high | 182 Ų | 182 | 51.1 Ų | 51.1 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -113.6 | 10.9 | -177.9 | -63.7 | -179.1 | -179.8 | -177.9 | 0 | 112.4 | N184 | N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 WeakPolarHBondContact OD1-CB 3.13Å; N184-K186 PolarHBondContact OD1-N 2.61Å |
| 187 | G | 80.5 | Confident | 90.4 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 63.2 | 162.2 | -159.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E215 | G187-E215 PolarHBondContact N-OE2 2.91Š|
| 188 | G | 77.1 | Confident | 90.8 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 62% | 0.619 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 114.6 | -141.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T190 | G188-T190 PolarHBondContact O-N 3.34Š|
| 189 | L | 79.7 | Confident | 91 | Very high | 161 Ų | 161 | 58.1 Ų | 58.1 | 84% | 0.843 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 117.5 | -170.3 | -68.8 | 172.8 | 0 | 0 | 0 | 111.8 | ||
| 190 | T | 88.4 | Confident | 91.3 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 134.3 | 167.5 | -49.2 | 0 | 0 | 0 | 0 | 110.2 | Y181 T183 G188 Y205 | Y181-T190 HydrophobicContact CD1-CG2 3.88Å; Y181-T190 HydrophobicContact CG-CG2 4.19Å; T183-T190 HydrophobicContact CG2-CG2 4.39Å; G188-T190 PolarHBondContact O-N 3.34Å; T190-Y205 HydrophobicContact CG2-CE2 3.8Å; T190-Y205 WeakPolarHBondContact OG1-CE2 3.06Å; T190-Y205 PolarHBondContact OG1-OH 3.05Å |
| 191 | K | 90.1 | Very high | 91.4 | Very high | 140 Ų | 140 | 64.9 Ų | 64.9 | 61% | 0.609 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143.6 | 168.2 | -63.4 | 179.6 | -177.6 | 177.7 | 0 | 109.5 | Y181 E182 V193 | Y181-K191 CarbonylContact C-O 3.54Å; Y181-K191 WeakPolarHBondContact CA-O 3.4Å; E182-K191 PolarHBondContact N-O 3.4Å; E182-K191 PolarHBondContact O-N 3.01Å; K191-V193 HydrophobicContact CB-CG1 4.13Å |
| 192 | T | 89.9 | Confident | 91.5 | Very high | 60 Ų | 60 | 67 Ų | 67 | 37% | 0.368 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 116.1 | 168.3 | -56.9 | 0 | 0 | 0 | 0 | 107.9 | L179 I180 | L179-T192 HydrophobicContact CB-CG2 3.71Å; L179-T192 HydrophobicContact CD1-CG2 3.94Å; L179-T192 HydrophobicContact CD2-CG2 4.26Å; L179-T192 HydrophobicContact CG-CG2 4.17Å; I180-T192 WeakPolarHBondContact O-CA 3.37Å |
| 193 | V | 91 | Very high | 91.7 | Very high | 20 Ų | 20 | 66.6 Ų | 66.6 | 12% | 0.121 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.8 | -174.7 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | L179 I180 E182 K191 Q197 L198 | L179-V193 CarbonylContact C-O 3.44Å; L179-V193 VanDerWaalsContact CA-O 3.3Å; L179-V193 WeakPolarHBondContact CA-O 3.27Å; I180-V193 HydrophobicContact CG2-CG2 4.08Å; I180-V193 PolarHBondContact N-O 3.46Å; I180-V193 PolarHBondContact O-N 2.84Å; E182-V193 HydrophobicContact CB-CG2 3.84Å; K191-V193 HydrophobicContact CB-CG1 4.13Å; V193-Q197 HydrophobicContact CB-CB 4.41Å; V193-L198 HydrophobicContact CG2-CD2 3.87Å; V193-L198 HydrophobicContact CG2-CG 4.5Å |
| 194 | M | 91.1 | Very high | 91.8 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 18% | 0.177 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 148.1 | 169.1 | -70 | 178.9 | -86.9 | 0 | 0 | 110.3 | L177 H178 L179 K196 Q197 | L177-M194 HydrophobicContact CB-SD 4.5Å; L177-M194 HydrophobicContact CD2-SD 3.68Å; H178-M194 CarbonylContact O-C 3.53Å; H178-M194 WeakPolarHBondContact O-CA 3.39Å; L179-M194 HydrophobicContact CD2-CG 3.87Å; M194-K196 HydrophobicContact CB-CG 4.12Å; M194-K196 PolarHBondContact O-N 3.04Å; M194-K196 VanDerWaalsContact O-N 3.15Å; M194-Q197 HydrophobicContact CB-CG 4.21Å; M194-Q197 WeakPolarHBondContact O-CA 3.36Å; M194-Q197 WeakPolarHBondContact O-CB 3.4Å; M194-Q197 PolarHBondContact O-N 3.04Å |
| 195 | A | 93.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -53.9 | -37.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V162 L174 T175 P176 H178 Q197 L198 | V162-A195 HydrophobicContact CB-CB 4.27Å; V162-A195 HydrophobicContact CG2-CB 4.3Å; L174-A195 HydrophobicContact CB-CB 3.7Å; L174-A195 HydrophobicContact CD1-CB 3.96Å; L174-A195 HydrophobicContact CG-CB 4.5Å; T175-A195 WeakPolarHBondContact O-CB 3.3Å; P176-A195 PolarHBondContact O-N 3.06Å; H178-A195 PolarHBondContact O-N 3.43Å; A195-Q197 PolarHBondContact O-N 3.39Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.39Å; A195-L198 PolarHBondContact O-N 2.79Å |
| 196 | K | 93.4 | Very high | 92 | Very high | 121 Ų | 121 | 62.6 Ų | 62.6 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -65.2 | -15.5 | 175.1 | 73.6 | -176.6 | -178.3 | 179.5 | 0 | 115 | P176 L177 M194 | P176-K196 HydrophobicContact CB-CB 4.02Å; P176-K196 HydrophobicContact CB-CD 4.35Å; P176-K196 WeakPolarHBondContact O-CB 3.25Å; P176-K196 WeakPolarHBondContact O-CG 3.44Å; P176-K196 PolarHBondContact O-N 3.29Å; L177-K196 HydrophobicContact CD2-CD 4Å; M194-K196 HydrophobicContact CB-CG 4.12Å; M194-K196 PolarHBondContact O-N 3.04Å; M194-K196 VanDerWaalsContact O-N 3.15Å |
| 197 | Q | 93.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -101.1 | -1 | -179.4 | -62.3 | 176.3 | -48.5 | 0 | 0 | 112.6 | V193 M194 A195 | V193-Q197 HydrophobicContact CB-CB 4.41Å; M194-Q197 HydrophobicContact CB-CG 4.21Å; M194-Q197 WeakPolarHBondContact O-CA 3.36Å; M194-Q197 WeakPolarHBondContact O-CB 3.4Å; M194-Q197 PolarHBondContact O-N 3.04Å; A195-Q197 PolarHBondContact O-N 3.39Å |
| 198 | L | 95.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | trans | -57.7 | 140 | 175.7 | -75.8 | 174.7 | 0 | 0 | 0 | 111 | V164 I180 E182 V193 A195 L204 I218 L221 | V164-L198 HydrophobicContact CB-CD1 4.46Å; V164-L198 HydrophobicContact CG1-CD1 4.24Å; V164-L198 HydrophobicContact CG2-CD1 3.39Å; I180-L198 HydrophobicContact CG2-CD1 4.04Å; I180-L198 HydrophobicContact CG2-CD2 3.65Å; I180-L198 HydrophobicContact CG2-CG 3.95Å; E182-L198 HydrophobicContact CB-CD2 4.27Å; E182-L198 HydrophobicContact CG-CD2 4.28Å; V193-L198 HydrophobicContact CG2-CD2 3.87Å; V193-L198 HydrophobicContact CG2-CG 4.5Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.39Å; A195-L198 PolarHBondContact O-N 2.79Å; L198-L204 HydrophobicContact CD2-CD2 3.83Å; L198-I218 HydrophobicContact CB-CD1 4.31Å; L198-I218 HydrophobicContact CD2-CD1 3.92Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CB-CD2 3.93Å; L198-L221 HydrophobicContact CD1-CD2 4.08Å; L198-L221 WeakPolarHBondContact O-CD1 2.99Å | ||
| 199 | T | 96.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | trans | -113.9 | 122 | -178.2 | -57.5 | 0 | 0 | 0 | 0 | 110.3 | E182 G201 N202 | E182-T199 PolarHBondContact OE1-N 3.34Å; T199-G201 PolarHBondContact O-N 2.81Å; T199-N202 WeakPolarHBondContact O-CB 3.25Å; T199-N202 PolarHBondContact O-N 2.78Å | ||
| 200 | K | 97.5 | Very high | 92.9 | Very high | 143 Ų | 143 | 59.3 Ų | 59.3 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 133.5 | 171.3 | 175.7 | 172.7 | 170.2 | 157.4 | 0 | 109.7 | V219 L221 | K200-V219 WeakPolarHBondContact CD-O 3.47Å; K200-V219 WeakPolarHBondContact CE-O 3.32Å; K200-V219 PolarHBondContact NZ-O 3.41Å; K200-L221 HydrophobicContact CB-CD1 4.41Å |
| 201 | G | 96.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -19.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T199 R217 I218 | T199-G201 PolarHBondContact O-N 2.81Å; G201-R217 PolarHBondContact O-NH1 2.98Å; G201-I218 PolarHBondContact N-O 2.83Å |
| 202 | N | 97.1 | Very high | 92.5 | Very high | 46 Ų | 46 | 58 Ų | 58 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -76.9 | 175.4 | 166.1 | -72.4 | -3.9 | 0 | 0 | 0 | 110.7 | E182 T183 T199 R217 I218 | E182-N202 HydrophobicContact CG-CB 3.69Å; E182-N202 PolarHBondContact OE1-ND2 2.8Å; E182-N202 PolarHBondContact OE2-ND2 2.76Å; T183-N202 WeakPolarHBondContact O-CB 3.34Å; T199-N202 WeakPolarHBondContact O-CB 3.25Å; T199-N202 PolarHBondContact O-N 2.78Å; N202-R217 CarbonylContact O-C 3.56Å; N202-R217 WeakPolarHBondContact O-CA 3.49Å; N202-I218 PolarHBondContact O-N 3.49Å |
| 203 | C | 98 | Very high | 92.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.6 | -176.7 | -77.4 | 0 | 0 | 0 | 0 | 112.9 | E182 T183 C185 E215 A216 R217 | E182-C203 CarbonylContact C-O 3.56Å; E182-C203 WeakPolarHBondContact CA-O 3.36Å; T183-C203 PolarHBondContact N-O 2.52Å; T183-C203 PolarHBondContact O-N 2.88Å; T183-C203 WeakPolarHBondContact OG1-CB 3.23Å; C185-C203 VanDerWaalsContact CA-SG 3.53Å; C185-C203 HydrophobicContact CB-CB 3.98Å; C185-C203 WeakPolarHBondContact CB-SG 3.36Å; C185-C203 WeakPolarHBondContact SG-CB 3.31Å; C185-C203 PolarHBondContact SG-N 2.85Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C203-E215 HydrophobicContact CB-CB 3.95Å; C203-A216 VanDerWaalsContact CA-O 3.3Å; C203-A216 WeakPolarHBondContact CA-O 3.31Å; C203-A216 VanDerWaalsContact SG-C 3.55Å; C203-R217 VanDerWaalsContact SG-CA 3.53Å; C203-R217 PolarHBondContact SG-N 2.9Å; C203-R217 VanDerWaalsContact SG-N 3.45Å |
| 204 | L | 97.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 161 | 167.2 | -58.8 | -179.5 | 0 | 0 | 0 | 109.6 | V164 T166 I180 Y181 L198 E215 A216 I218 V244 | V164-L204 HydrophobicContact CG1-CD1 3.69Å; T166-L204 HydrophobicContact CG2-CD1 4.48Å; I180-L204 HydrophobicContact CD1-CD1 3.7Å; I180-L204 HydrophobicContact CD1-CD2 3.78Å; I180-L204 HydrophobicContact CD1-CG 4.34Å; I180-L204 HydrophobicContact CG1-CD2 3.99Å; Y181-L204 WeakPolarHBondContact O-CD2 3.32Å; L198-L204 HydrophobicContact CD2-CD2 3.83Å; L204-E215 CarbonylContact O-C 3.56Å; L204-E215 WeakPolarHBondContact O-CA 3.42Å; L204-A216 PolarHBondContact N-O 2.77Å; L204-A216 PolarHBondContact O-N 3.2Å; L204-I218 HydrophobicContact CD1-CD1 4.25Å; L204-I218 HydrophobicContact CD1-CG1 4.13Å; L204-I218 HydrophobicContact CD2-CD1 4.02Å; L204-I218 HydrophobicContact CG-CD1 3.88Å; L204-I218 HydrophobicContact CG-CG1 3.85Å; L204-V244 HydrophobicContact CB-CG1 4.23Å; L204-V244 HydrophobicContact CD1-CG1 3.97Å |
| 205 | Y | 96.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.5 | 166.8 | -68.4 | -71.4 | 0 | 0 | 0 | 110.5 | T183 T190 L213 R214 E215 L245 | T183-Y205 HydrophobicContact CG2-CD2 4.4Å; T183-Y205 HydrophobicContact CG2-CE1 4.47Å; T183-Y205 HydrophobicContact CG2-CE2 3.61Å; T190-Y205 HydrophobicContact CG2-CE2 3.8Å; T190-Y205 WeakPolarHBondContact OG1-CE2 3.06Å; T190-Y205 PolarHBondContact OG1-OH 3.05Å; Y205-L213 HydrophobicContact CD1-CB 4.37Å; Y205-R214 CarbonylContact C-O 3.52Å; Y205-R214 WeakPolarHBondContact CA-O 3.02Å; Y205-E215 HydrophobicContact CD1-CG 4.34Å; Y205-E215 HydrophobicContact CE1-CG 3.97Å; Y205-L245 HydrophobicContact CD2-CD2 4.2Å; Y205-L245 HydrophobicContact CG-CD2 4.44Å; Y205-L245 PolarHBondContact O-N 3.32Å |
| 206 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 157.2 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | T166 H170 G208 L213 R214 A216 G243 V244 | T166-V206 HydrophobicContact CG2-CG1 4.23Å; H170-V206 HydrophobicContact CB-CG1 4.3Å; V206-G208 PolarHBondContact O-N 3.49Å; V206-L213 WeakPolarHBondContact O-CA 3.49Å; V206-R214 HydrophobicContact CG2-CG 3.85Å; V206-R214 PolarHBondContact N-O 3.11Å; V206-R214 PolarHBondContact O-N 3Å; V206-A216 HydrophobicContact CB-CB 4.37Å; V206-A216 HydrophobicContact CG1-CB 3.82Å; V206-A216 HydrophobicContact CG2-CB 3.57Å; V206-G243 CarbonylContact C-O 3.58Å; V206-G243 WeakPolarHBondContact CA-O 3.33Å; V206-G243 WeakPolarHBondContact CB-O 3.36Å; V206-V244 HydrophobicContact CG1-CG2 4.13Å |
| 207 | Q | 93.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.8 | 171.1 | -167.2 | -175.4 | 58 | 0 | 0 | 109.4 | D114 L142 G243 | D114-Q207 PolarHBondContact OD2-NE2 2.85Å; L142-Q207 HydrophobicContact CD1-CG 4.13Å; Q207-G243 PolarHBondContact N-O 3.47Å |
| 208 | G | 89.4 | Confident | 93.7 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | trans | -85.3 | 163.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V206 N210 G211 Q212 | V206-G208 PolarHBondContact O-N 3.49Å; G208-N210 PolarHBondContact O-N 3.37Å; G208-N210 VanDerWaalsContact O-N 3.15Å; G208-G211 PolarHBondContact O-N 2.6Å; G208-Q212 WeakPolarHBondContact CA-O 3.33Å; G208-Q212 PolarHBondContact N-O 3.18Å | ||
| 209 | E | 82.7 | Confident | 93.9 | Very high | 203 Ų | 203 | 57.8 Ų | 57.8 | 95% | 0.949 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.8 | 179.8 | -62.7 | 177.7 | 175 | 0 | 0 | 113.1 | G211 | E209-G211 VanDerWaalsContact C-N 3.3Å; E209-G211 PolarHBondContact O-N 2.99Å |
| 210 | N | 81.7 | Confident | 93.9 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 57% | 0.572 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 8.7 | 178.6 | 66 | -10.2 | 0 | 0 | 0 | 113.9 | G208 Q212 | G208-N210 PolarHBondContact O-N 3.37Å; G208-N210 VanDerWaalsContact O-N 3.15Å; N210-Q212 VanDerWaalsContact ND2-CD 3.34Å; N210-Q212 PolarHBondContact ND2-NE2 2.72Å; N210-Q212 PolarHBondContact O-N 3.08Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.18Å; N210-Q212 PolarHBondContact OD1-N 3.27Å |
| 211 | G | 80.7 | Confident | 93.9 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 71 | 15.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L142 G208 E209 | L142-G211 VanDerWaalsContact CD1-O 3.25Å; L142-G211 WeakPolarHBondContact CD1-O 3.26Å; G208-G211 PolarHBondContact O-N 2.6Å; E209-G211 VanDerWaalsContact C-N 3.3Å; E209-G211 PolarHBondContact O-N 2.99Å |
| 212 | Q | 90 | Very high | 93.9 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -103.1 | 157 | 172.2 | -57.4 | -178.3 | 24.9 | 0 | 0 | 110.5 | G208 N210 | G208-Q212 WeakPolarHBondContact CA-O 3.33Å; G208-Q212 PolarHBondContact N-O 3.18Å; N210-Q212 VanDerWaalsContact ND2-CD 3.34Å; N210-Q212 PolarHBondContact ND2-NE2 2.72Å; N210-Q212 PolarHBondContact O-N 3.08Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.18Å; N210-Q212 PolarHBondContact OD1-N 3.27Å |
| 213 | L | 93.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 62 Ų | 62 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 138.5 | 170.4 | -70.7 | 172.6 | 0 | 0 | 0 | 110.4 | R136 L142 Y205 V206 I240 L245 | R136-L213 HydrophobicContact CB-CD1 4Å; R136-L213 HydrophobicContact CG-CD1 3.87Å; L142-L213 HydrophobicContact CD2-CD1 4Å; L142-L213 HydrophobicContact CD2-CD2 3.91Å; L142-L213 HydrophobicContact CD2-CG 3.76Å; L142-L213 HydrophobicContact CG-CG 4.23Å; Y205-L213 HydrophobicContact CD1-CB 4.37Å; V206-L213 WeakPolarHBondContact O-CA 3.49Å; L213-I240 HydrophobicContact CD2-CD1 3.92Å; L213-L245 HydrophobicContact CD1-CD2 4.05Å; L213-L245 HydrophobicContact CD2-CB 4.45Å |
| 214 | R | 94.6 | Very high | 93.4 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 41% | 0.408 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 158.5 | 173 | 67.1 | -178.5 | -178.1 | 118.3 | -13.6 | 110.6 | Y205 V206 | Y205-R214 CarbonylContact C-O 3.52Å; Y205-R214 WeakPolarHBondContact CA-O 3.02Å; V206-R214 HydrophobicContact CG2-CG 3.85Å; V206-R214 PolarHBondContact N-O 3.11Å; V206-R214 PolarHBondContact O-N 3Å |
| 215 | E | 96.2 | Very high | 93.1 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 138.9 | 172.8 | -62.9 | -174.7 | 149.4 | 0 | 0 | 110.3 | T183 C185 G187 C203 L204 Y205 | T183-E215 WeakPolarHBondContact CB-OE1 3.31Å; T183-E215 WeakPolarHBondContact CG2-OE1 3.46Å; T183-E215 PolarHBondContact OG1-OE1 2.96Å; C185-E215 VanDerWaalsContact CA-OE2 3.23Å; C185-E215 WeakPolarHBondContact CA-OE2 3.3Å; G187-E215 PolarHBondContact N-OE2 2.91Å; C203-E215 HydrophobicContact CB-CB 3.95Å; L204-E215 CarbonylContact O-C 3.56Å; L204-E215 WeakPolarHBondContact O-CA 3.42Å; Y205-E215 HydrophobicContact CD1-CG 4.34Å; Y205-E215 HydrophobicContact CE1-CG 3.97Å |
| 216 | A | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | T166 T168 C203 L204 V206 | T166-A216 HydrophobicContact CG2-CB 4.38Å; T168-A216 HydrophobicContact CG2-CB 3.83Å; T168-A216 WeakPolarHBondContact OG1-CB 3.48Å; C203-A216 VanDerWaalsContact CA-O 3.3Å; C203-A216 WeakPolarHBondContact CA-O 3.31Å; C203-A216 VanDerWaalsContact SG-C 3.55Å; L204-A216 PolarHBondContact N-O 2.77Å; L204-A216 PolarHBondContact O-N 3.2Å; V206-A216 HydrophobicContact CB-CB 4.37Å; V206-A216 HydrophobicContact CG1-CB 3.82Å; V206-A216 HydrophobicContact CG2-CB 3.57Å |
| 217 | R | 98.1 | Very high | 92.7 | Very high | 106 Ų | 106 | 74.8 Ų | 74.8 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.9 | -175.4 | -167.9 | -179.8 | -57.2 | -82.7 | -1 | 111.9 | T166 E167 G201 N202 C203 V219 | T166-R217 CarbonylContact C-O 3.55Å; T166-R217 WeakPolarHBondContact CA-O 3.32Å; T166-R217 WeakPolarHBondContact CB-O 3.47Å; E167-R217 HydrophobicContact CB-CB 4.4Å; E167-R217 VanDerWaalsContact CD-CB 3.4Å; E167-R217 HydrophobicContact CG-CB 4.14Å; E167-R217 PolarHBondContact N-O 3.35Å; E167-R217 WeakPolarHBondContact OE1-CB 3.16Å; E167-R217 PolarHBondContact OE1-N 2.97Å; E167-R217 WeakPolarHBondContact OE2-CB 3.38Å; G201-R217 PolarHBondContact O-NH1 2.98Å; N202-R217 CarbonylContact O-C 3.56Å; N202-R217 WeakPolarHBondContact O-CA 3.49Å; C203-R217 VanDerWaalsContact SG-CA 3.53Å; C203-R217 PolarHBondContact SG-N 2.9Å; C203-R217 VanDerWaalsContact SG-N 3.45Å; R217-V219 PolarHBondContact O-N 3.37Å |
| 218 | I | 98.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 115.6 | 168.5 | -57.7 | 170.3 | 0 | 0 | 0 | 108.4 | V164 L198 G201 N202 L204 L221 | V164-I218 HydrophobicContact CG1-CD1 4.27Å; V164-I218 HydrophobicContact CG1-CG1 4.02Å; V164-I218 HydrophobicContact CG1-CG2 3.92Å; L198-I218 HydrophobicContact CB-CD1 4.31Å; L198-I218 HydrophobicContact CD2-CD1 3.92Å; G201-I218 PolarHBondContact N-O 2.83Å; N202-I218 PolarHBondContact O-N 3.49Å; L204-I218 HydrophobicContact CD1-CD1 4.25Å; L204-I218 HydrophobicContact CD1-CG1 4.13Å; L204-I218 HydrophobicContact CD2-CD1 4.02Å; L204-I218 HydrophobicContact CG-CD1 3.88Å; L204-I218 HydrophobicContact CG-CG1 3.85Å; I218-L221 HydrophobicContact CG2-CD1 4.27Å; I218-L221 HydrophobicContact CG2-CD2 3.91Å; I218-L221 HydrophobicContact CG2-CG 3.75Å |
| 219 | V | 98.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 33% | 0.333 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -22.7 | 178.3 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | I165 E167 K200 R217 | I165-V219 HydrophobicContact CB-CG2 4.43Å; I165-V219 HydrophobicContact CG2-CG2 4.02Å; I165-V219 WeakPolarHBondContact O-CG2 3.37Å; I165-V219 PolarHBondContact O-N 2.75Å; E167-V219 HydrophobicContact CB-CG1 3.67Å; K200-V219 WeakPolarHBondContact CD-O 3.47Å; K200-V219 WeakPolarHBondContact CE-O 3.32Å; K200-V219 PolarHBondContact NZ-O 3.41Å; R217-V219 PolarHBondContact O-N 3.37Å |
| 220 | E | 97.9 | Very high | 92.2 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 140.6 | -178.3 | 178 | 167 | -122 | 0 | 0 | 111.8 | I165 K222 | I165-E220 HydrophobicContact CB-CB 4.12Å; I165-E220 HydrophobicContact CD1-CB 4.01Å; I165-E220 HydrophobicContact CD1-CG 3.86Å; I165-E220 WeakPolarHBondContact CD1-OE2 3.33Å; I165-E220 PolarHBondContact N-O 3.18Å; I165-E220 PolarHBondContact O-N 3.35Å; E220-K222 HydrophobicContact CG-CD 3.95Å; E220-K222 HydrophobicContact CG-CG 3.96Å; E220-K222 WeakPolarHBondContact OE1-CE 3.31Å; E220-K222 IonicContact OE1-NZ 3.13Å; E220-K222 PolarHBondContact OE1-NZ 3.39Å; E220-K222 IonicContact OE2-NZ 3.98Å; E220-K222 PolarHBondContact OE2-NZ 3.48Å |
| 221 | L | 97.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 29% | 0.293 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.4 | 173.4 | -69.7 | 167.3 | 0 | 0 | 0 | 107.1 | V162 D163 V164 L198 K200 I218 | V162-L221 HydrophobicContact CG1-CD2 4.07Å; D163-L221 CarbonylContact O-C 3.39Å; D163-L221 WeakPolarHBondContact O-CA 3.45Å; V164-L221 HydrophobicContact CB-CD2 4.11Å; V164-L221 HydrophobicContact CG1-CD2 3.81Å; V164-L221 HydrophobicContact CG2-CD2 3.76Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CB-CD2 3.93Å; L198-L221 HydrophobicContact CD1-CD2 4.08Å; L198-L221 WeakPolarHBondContact O-CD1 2.99Å; K200-L221 HydrophobicContact CB-CD1 4.41Å; I218-L221 HydrophobicContact CG2-CD1 4.27Å; I218-L221 HydrophobicContact CG2-CD2 3.91Å; I218-L221 HydrophobicContact CG2-CG 3.75Å |
| 222 | K | 95.4 | Very high | 93 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.2 | -178.3 | -79.9 | 169.2 | 162 | 155.9 | 0 | 109.9 | V162 D163 E220 | V162-K222 CarbonylContact C-O 3.6Å; V162-K222 WeakPolarHBondContact CA-O 3.46Å; D163-K222 HydrophobicContact CB-CB 4.23Å; D163-K222 PolarHBondContact N-O 3.46Å; D163-K222 PolarHBondContact O-N 2.92Å; E220-K222 HydrophobicContact CG-CD 3.95Å; E220-K222 HydrophobicContact CG-CG 3.96Å; E220-K222 WeakPolarHBondContact OE1-CE 3.31Å; E220-K222 IonicContact OE1-NZ 3.13Å; E220-K222 PolarHBondContact OE1-NZ 3.39Å; E220-K222 IonicContact OE2-NZ 3.98Å; E220-K222 PolarHBondContact OE2-NZ 3.48Å |
| 223 | K | 94.1 | Very high | 92.9 | Very high | 154 Ų | 154 | 50.1 Ų | 50.1 | 67% | 0.67 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 138.9 | 163.5 | -71 | 177.7 | 163 | -136.1 | 0 | 108.6 | E160 Y161 | E160-K223 VanDerWaalsContact CD-NZ 3.25Å; E160-K223 IonicContact OE1-NZ 3.95Å; E160-K223 PolarHBondContact OE1-NZ 2.88Å; E160-K223 WeakPolarHBondContact OE2-CD 3.39Å; E160-K223 WeakPolarHBondContact OE2-CE 3.45Å; E160-K223 IonicContact OE2-NZ 2.69Å; E160-K223 PolarHBondContact OE2-NZ 3.42Å; Y161-K223 CarbonylContact O-C 3.53Å; Y161-K223 WeakPolarHBondContact O-CA 3.05Å |
| 224 | A | 91.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E160 Y161 D163 K226 | E160-A224 CarbonylContact C-O 3.4Å; Y161-A224 PolarHBondContact N-O 2.89Å; Y161-A224 PolarHBondContact O-N 2.82Å; D163-A224 HydrophobicContact CB-CB 4.36Å; D163-A224 VanDerWaalsContact CG-CB 3.47Å; D163-A224 WeakPolarHBondContact OD2-CB 3.28Å; A224-K226 HydrophobicContact CB-CG 4.44Å |
| 225 | E | 92.1 | Very high | 92.5 | Very high | 146 Ų | 146 | 48.8 Ų | 48.8 | 68% | 0.682 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.6 | 167.3 | -161.9 | -179.4 | 112.2 | 0 | 0 | 108.6 | Y158 A159 | Y158-E225 HydrophobicContact CD1-CG 4.17Å; A159-E225 VanDerWaalsContact O-CA 3.32Å; A159-E225 WeakPolarHBondContact O-CA 3.43Å |
| 226 | K | 92.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.7 | 179.9 | -55.4 | -77.3 | -171.9 | 165.4 | 0 | 110.8 | P108 Y158 A159 Y161 D163 S173 A224 | P108-K226 HydrophobicContact CB-CB 3.69Å; P108-K226 HydrophobicContact CB-CG 4.34Å; P108-K226 HydrophobicContact CG-CB 4.45Å; Y158-K226 WeakPolarHBondContact CA-O 3.46Å; A159-K226 PolarHBondContact N-O 3.16Å; A159-K226 PolarHBondContact O-N 2.78Å; Y161-K226 HydrophobicContact CD2-CB 3.48Å; Y161-K226 VanDerWaalsContact CD2-CB 3.48Å; Y161-K226 HydrophobicContact CD2-CG 3.9Å; Y161-K226 HydrophobicContact CE2-CB 3.73Å; Y161-K226 HydrophobicContact CG-CB 3.99Å; Y161-K226 HydrophobicContact CG-CG 3.94Å; D163-K226 WeakPolarHBondContact OD1-CE 2.84Å; D163-K226 IonicContact OD2-NZ 2.99Å; S173-K226 WeakPolarHBondContact OG-CE 3.38Å; A224-K226 HydrophobicContact CB-CG 4.44Å |
| 227 | K | 90.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 38% | 0.378 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.8 | -179.8 | -172.8 | -176.7 | 175.3 | -171.1 | 0 | 111.5 | S109 K155 Y158 | S109-K227 WeakPolarHBondContact CB-O 3.3Å; S109-K227 PolarHBondContact N-O 2.98Å; S109-K227 PolarHBondContact OG-O 2.77Å; K155-K227 VanDerWaalsContact O-CE 3.31Å; K155-K227 WeakPolarHBondContact O-CE 3.33Å; Y158-K227 HydrophobicContact CD1-CB 4.11Å; Y158-K227 HydrophobicContact CD2-CG 4.36Å; Y158-K227 HydrophobicContact CE1-CB 3.78Å; Y158-K227 HydrophobicContact CE1-CG 4.41Å; Y158-K227 HydrophobicContact CE2-CB 4.22Å; Y158-K227 HydrophobicContact CE2-CD 4.15Å; Y158-K227 HydrophobicContact CE2-CG 3.95Å; Y158-K227 HydrophobicContact CG-CB 4.49Å |
| 228 | G | 83.5 | Confident | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.8 | 154 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N154 Q157 Y161 | N154-G228 CarbonylContact O-C 3.54Å; N154-G228 VanDerWaalsContact O-CA 3.28Å; N154-G228 WeakPolarHBondContact O-CA 3.3Å; Q157-G228 PolarHBondContact O-N 3.34Å; Y161-G228 PolarHBondContact OH-O 3.42Å |
| 229 | F | 83.4 | Confident | 91.6 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 108.9 | 174.1 | -67.7 | -95.5 | 0 | 0 | 0 | 109.5 | A104 C106 H152 A153 N154 Q157 A159 T175 | A104-F229 HydrophobicContact CB-CD1 3.53Å; A104-F229 HydrophobicContact CB-CE1 3.36Å; C106-F229 HydrophobicContact CB-CB 4.05Å; C106-F229 HydrophobicContact CB-CD1 3.95Å; C106-F229 HydrophobicContact CB-CG 4.46Å; H152-F229 CarbonylContact C-O 3.56Å; A153-F229 CarbonylContact C-O 3.54Å; A153-F229 VanDerWaalsContact CA-O 3.24Å; A153-F229 WeakPolarHBondContact CA-O 3.14Å; A153-F229 PolarHBondContact N-O 2.83Å; N154-F229 HydrophobicContact CB-CB 4.34Å; N154-F229 HydrophobicContact CB-CD2 4.38Å; N154-F229 PolarHBondContact N-O 2.69Å; N154-F229 PolarHBondContact O-N 3.2Å; Q157-F229 HydrophobicContact CB-CD2 3.87Å; Q157-F229 HydrophobicContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CD-CE2 3.45Å; Q157-F229 HydrophobicContact CG-CD2 4.3Å; Q157-F229 HydrophobicContact CG-CE2 3.47Å; Q157-F229 VanDerWaalsContact CG-CE2 3.47Å; Q157-F229 HydrophobicContact CG-CZ 4.22Å; A159-F229 HydrophobicContact CB-CD1 4.43Å; A159-F229 HydrophobicContact CB-CE1 3.37Å; A159-F229 HydrophobicContact CB-CE2 3.92Å; A159-F229 HydrophobicContact CB-CZ 3.09Å; T175-F229 HydrophobicContact CG2-CD1 4.43Å; T175-F229 HydrophobicContact CG2-CE1 4.33Å |
| 230 | Y | 89.4 | Confident | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.8 | -177.4 | -69.9 | -93.8 | 0 | 0 | 0 | 110 | C106 F107 M122 I126 W150 H152 K155 | C106-Y230 CarbonylContact C-O 3.51Å; C106-Y230 WeakPolarHBondContact CA-O 3.42Å; F107-Y230 PolarHBondContact N-O 2.84Å; F107-Y230 PolarHBondContact O-N 2.96Å; M122-Y230 HydrophobicContact CB-CD1 4.01Å; M122-Y230 HydrophobicContact CB-CD2 4.14Å; M122-Y230 HydrophobicContact CB-CG 3.71Å; I126-Y230 HydrophobicContact CB-CE1 4.29Å; I126-Y230 HydrophobicContact CD1-CD1 4.31Å; I126-Y230 HydrophobicContact CD1-CE1 4.14Å; I126-Y230 HydrophobicContact CG2-CE1 4.09Å; W150-Y230 HydrophobicContact CE3-CD1 4.33Å; W150-Y230 HydrophobicContact CH2-CD1 4.47Å; W150-Y230 AromaticContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CG 4.38Å; H152-Y230 WeakPolarHBondContact O-CA 3.44Å; K155-Y230 WeakPolarHBondContact CG-OH 3.15Å |
| 231 | S | 88.5 | Confident | 91.5 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 79.5 | 179 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | R105 W150 I151 H152 | R105-S231 WeakPolarHBondContact O-CB 3.44Å; R105-S231 PolarHBondContact O-OG 2.9Å; W150-S231 WeakPolarHBondContact CA-O 3.3Å; I151-S231 PolarHBondContact N-O 2.86Å; H152-S231 PolarHBondContact O-N 3.47Å |
| 232 | P | 90.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 149.4 | 175.8 | 30.6 | -34.7 | 0 | 0 | 0 | 111 | M122 V147 W150 L239 C248 | M122-P232 HydrophobicContact CE-CG 4.2Å; M122-P232 HydrophobicContact SD-CG 4.05Å; V147-P232 HydrophobicContact CG1-CB 3.82Å; W150-P232 HydrophobicContact CD2-CB 4.16Å; W150-P232 HydrophobicContact CE3-CB 3.91Å; W150-P232 HydrophobicContact CH2-CB 4.01Å; W150-P232 HydrophobicContact CH2-CG 4.41Å; W150-P232 HydrophobicContact CZ2-CB 4.2Å; W150-P232 HydrophobicContact CZ3-CB 3.82Å; W150-P232 HydrophobicContact CZ3-CG 4.09Å; P232-L239 HydrophobicContact CG-CD1 3.6Å; P232-C248 PolarHBondContact O-SG 3.15Å |
| 233 | I | 86.5 | Confident | 91.5 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | 167.1 | -58.4 | -172.7 | 0 | 0 | 0 | 107.8 | V147 M148 S149 I151 F249 L262 F266 | V147-I233 CarbonylContact C-O 3.49Å; M148-I233 PolarHBondContact N-O 3.27Å; S149-I233 PolarHBondContact N-O 2.86Å; S149-I233 PolarHBondContact O-N 3.03Å; I151-I233 HydrophobicContact CD1-CD1 3.82Å; I151-I233 HydrophobicContact CD1-CG1 4.01Å; I151-I233 HydrophobicContact CG1-CD1 3.65Å; I151-I233 HydrophobicContact CG1-CG1 3.86Å; I233-F249 HydrophobicContact CG2-CE1 4.46Å; I233-L262 HydrophobicContact CD1-CD1 4.07Å; I233-L262 HydrophobicContact CD1-CD2 4.43Å; I233-L262 HydrophobicContact CG2-CD1 4.07Å; I233-F266 HydrophobicContact CG2-CE2 4.49Å |
| 234 | T | 91.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 162.5 | 173.5 | 68 | 0 | 0 | 0 | 0 | 111.2 | V133 P146 E236 G237 N238 L239 | V133-T234 HydrophobicContact CG2-CG2 3.33Å; P146-T234 VanDerWaalsContact O-CA 3.31Å; P146-T234 WeakPolarHBondContact O-CA 3.42Å; T234-E236 PolarHBondContact O-N 2.81Å; T234-G237 PolarHBondContact O-N 2.82Å; T234-G237 VanDerWaalsContact O-N 3.08Å; T234-G237 PolarHBondContact OG1-N 3.19Å; T234-G237 VanDerWaalsContact OG1-N 3.09Å; T234-N238 PolarHBondContact OG1-N 2.79Å; T234-N238 PolarHBondContact OG1-O 2.88Å; T234-L239 HydrophobicContact CG2-CB 4.12Å |
| 235 | E | 88.3 | Confident | 91.9 | Very high | 109 Ų | 109 | 25.2 Ų | 25.2 | 51% | 0.509 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34 | 173.4 | -177.3 | 174.1 | -126.3 | 0 | 0 | 112.5 | S145 P146 M148 G237 | S145-E235 WeakPolarHBondContact OG-CB 3.35Å; S145-E235 PolarHBondContact OG-N 3.32Å; P146-E235 HydrophobicContact CG-CB 4.01Å; P146-E235 PolarHBondContact O-N 3.47Å; M148-E235 HydrophobicContact CG-CB 4.24Å; M148-E235 HydrophobicContact SD-CB 4.32Å; E235-G237 VanDerWaalsContact C-N 3.28Å; E235-G237 PolarHBondContact O-N 2.89Å |
| 236 | E | 91.7 | Very high | 92.1 | Very high | 41 Ų | 41 | 18.3 Ų | 18.3 | 19% | 0.192 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.9 | 176.6 | -65.4 | -65 | 174.2 | 0 | 0 | 113.3 | A135 N137 T143 S145 T234 N238 K259 | A135-E236 HydrophobicContact CB-CB 3.94Å; A135-E236 HydrophobicContact CB-CG 4.11Å; N137-E236 WeakPolarHBondContact CA-OE2 3.23Å; T143-E236 HydrophobicContact CG2-CG 4.22Å; S145-E236 PolarHBondContact OG-N 2.82Å; T234-E236 PolarHBondContact O-N 2.81Å; E236-N238 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-ND2 2.79Å; E236-K259 WeakPolarHBondContact O-CE 3.49Å; E236-K259 PolarHBondContact O-NZ 3.18Å |
| 237 | G | 89.6 | Confident | 92.1 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 64.6 | 18.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T234 E235 C248 F249 | T234-G237 PolarHBondContact O-N 2.82Å; T234-G237 VanDerWaalsContact O-N 3.08Å; T234-G237 PolarHBondContact OG1-N 3.19Å; T234-G237 VanDerWaalsContact OG1-N 3.09Å; E235-G237 VanDerWaalsContact C-N 3.28Å; E235-G237 PolarHBondContact O-N 2.89Å; G237-C248 PolarHBondContact O-N 3.02Å; G237-F249 WeakPolarHBondContact O-CE2 3.37Å |
| 238 | N | 94 | Very high | 92 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.011 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 166.6 | 175 | 68.6 | 79.8 | 0 | 0 | 0 | 109.5 | A135 R136 Y181 T234 E236 L245 A246 C248 | A135-N238 VanDerWaalsContact CB-O 3.28Å; A135-N238 WeakPolarHBondContact CB-O 3.2Å; R136-N238 WeakPolarHBondContact CB-OD1 3.23Å; R136-N238 PolarHBondContact N-OD1 3.46Å; R136-N238 PolarHBondContact O-ND2 2.69Å; R136-N238 PolarHBondContact O-OD1 3.26Å; Y181-N238 HydrophobicContact CE2-CB 4.08Å; T234-N238 PolarHBondContact OG1-N 2.79Å; T234-N238 PolarHBondContact OG1-O 2.88Å; E236-N238 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-ND2 2.79Å; N238-L245 HydrophobicContact CB-CD1 4.26Å; N238-L245 WeakPolarHBondContact OD1-CD1 3.41Å; N238-A246 VanDerWaalsContact CA-O 3.3Å; N238-A246 WeakPolarHBondContact CA-O 3.23Å; N238-A246 WeakPolarHBondContact CB-O 3.34Å; N238-C248 PolarHBondContact N-SG 2.95Å |
| 239 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 158.6 | 179 | 71.3 | 178.4 | 0 | 0 | 0 | 111.5 | F107 V113 M122 V133 L134 P232 T234 V241 A246 | F107-L239 HydrophobicContact CE2-CD1 4.33Å; F107-L239 HydrophobicContact CE2-CD2 3.94Å; F107-L239 HydrophobicContact CZ-CD2 3.78Å; F107-L239 HydrophobicContact CZ-CG 4.5Å; V113-L239 HydrophobicContact CG1-CD1 4.37Å; M122-L239 HydrophobicContact CE-CD1 3.91Å; V133-L239 HydrophobicContact CG2-CB 4.03Å; L134-L239 CarbonylContact O-C 3.52Å; L134-L239 WeakPolarHBondContact O-CA 3.46Å; P232-L239 HydrophobicContact CG-CD1 3.6Å; T234-L239 HydrophobicContact CG2-CB 4.12Å; L239-V241 HydrophobicContact CD1-CG2 3.93Å; L239-V241 HydrophobicContact CD2-CG2 4.25Å; L239-V241 HydrophobicContact CG-CG2 3.65Å; L239-A246 HydrophobicContact CD2-CB 4.42Å; L239-A246 PolarHBondContact N-O 3.07Å; L239-A246 PolarHBondContact O-N 2.81Å |
| 240 | I | 96.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121 | 171.8 | -53.6 | -57.2 | 0 | 0 | 0 | 108.9 | L134 L142 L213 V244 L245 | L134-I240 HydrophobicContact CB-CB 4.21Å; L134-I240 HydrophobicContact CB-CG1 4.11Å; L134-I240 HydrophobicContact CD2-CB 4.45Å; L134-I240 HydrophobicContact CD2-CG1 4.09Å; L134-I240 HydrophobicContact CG-CG1 3.98Å; L134-I240 PolarHBondContact O-N 3.19Å; L142-I240 HydrophobicContact CD2-CD1 3.87Å; L142-I240 HydrophobicContact CD2-CG1 3.98Å; L213-I240 HydrophobicContact CD2-CD1 3.92Å; I240-V244 CarbonylContact C-O 3.59Å; I240-V244 WeakPolarHBondContact CA-O 3.43Å; I240-L245 HydrophobicContact CD1-CB 3.87Å; I240-L245 HydrophobicContact CD1-CD1 3.59Å; I240-L245 HydrophobicContact CD1-CG 4.35Å |
| 241 | V | 97.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.2 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | F107 A111 L112 V113 M122 L172 L239 G243 V244 | F107-V241 HydrophobicContact CD1-CB 4.24Å; F107-V241 HydrophobicContact CD1-CG1 3.9Å; F107-V241 HydrophobicContact CD1-CG2 3.94Å; F107-V241 HydrophobicContact CE1-CB 3.97Å; F107-V241 HydrophobicContact CE1-CG1 4.16Å; F107-V241 HydrophobicContact CE1-CG2 3.49Å; F107-V241 VanDerWaalsContact CE1-CG2 3.49Å; F107-V241 HydrophobicContact CE2-CG2 4.34Å; F107-V241 HydrophobicContact CZ-CG2 3.74Å; A111-V241 HydrophobicContact CB-CG1 3.67Å; L112-V241 CarbonylContact O-C 3.54Å; L112-V241 WeakPolarHBondContact O-CA 3.32Å; V113-V241 HydrophobicContact CG1-CG2 4.15Å; M122-V241 HydrophobicContact CE-CG1 4.25Å; M122-V241 HydrophobicContact CE-CG2 3.79Å; L172-V241 HydrophobicContact CD1-CB 3.68Å; L172-V241 HydrophobicContact CD1-CG1 3.59Å; L239-V241 HydrophobicContact CD1-CG2 3.93Å; L239-V241 HydrophobicContact CD2-CG2 4.25Å; L239-V241 HydrophobicContact CG-CG2 3.65Å; V241-G243 PolarHBondContact O-N 3.24Å; V241-G243 VanDerWaalsContact O-N 3.16Å; V241-V244 PolarHBondContact N-O 2.84Å; V241-V244 WeakPolarHBondContact O-CB 3.3Å; V241-V244 PolarHBondContact O-N 3.2Å |
| 242 | N | 97 | Very high | 86.1 | Confident | 54 Ų | 54 | 22.5 Ų | 22.5 | 29% | 0.289 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.5 | -173.4 | -65.7 | 24.8 | 0 | 0 | 0 | 112.2 | L112 H170 R171 V244 | L112-N242 WeakPolarHBondContact CB-OD1 3.31Å; L112-N242 PolarHBondContact N-OD1 2.93Å; L112-N242 PolarHBondContact O-N 2.85Å; L112-N242 PolarHBondContact O-OD1 2.83Å; H170-N242 PolarHBondContact CD2-O 3.09Å; R171-N242 WeakPolarHBondContact O-CB 3.34Å; R171-N242 PolarHBondContact O-ND2 2.99Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 3.49Å |
| 243 | G | 96.3 | Very high | 84 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 8.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V206 Q207 V241 | V206-G243 CarbonylContact C-O 3.58Å; V206-G243 WeakPolarHBondContact CA-O 3.33Å; V206-G243 WeakPolarHBondContact CB-O 3.36Å; Q207-G243 PolarHBondContact N-O 3.47Å; V241-G243 PolarHBondContact O-N 3.24Å; V241-G243 VanDerWaalsContact O-N 3.16Å |
| 244 | V | 97.4 | Very high | 82.4 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.6 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | H170 L172 I180 L204 V206 I240 V241 N242 A246 | H170-V244 HydrophobicContact CB-CG2 3.75Å; L172-V244 HydrophobicContact CB-CB 4.24Å; L172-V244 HydrophobicContact CB-CG2 4.03Å; L172-V244 HydrophobicContact CD2-CB 3.92Å; L172-V244 HydrophobicContact CD2-CG1 3.75Å; I180-V244 HydrophobicContact CD1-CG1 4.23Å; L204-V244 HydrophobicContact CB-CG1 4.23Å; L204-V244 HydrophobicContact CD1-CG1 3.97Å; V206-V244 HydrophobicContact CG1-CG2 4.13Å; I240-V244 CarbonylContact C-O 3.59Å; I240-V244 WeakPolarHBondContact CA-O 3.43Å; V241-V244 PolarHBondContact N-O 2.84Å; V241-V244 WeakPolarHBondContact O-CB 3.3Å; V241-V244 PolarHBondContact O-N 3.2Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 3.49Å; V244-A246 PolarHBondContact O-N 3.22Å |
| 245 | L | 96.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.3 | 175.2 | -176.8 | 73 | 0 | 0 | 0 | 111.3 | R136 Y181 Y205 L213 N238 I240 | R136-L245 HydrophobicContact CB-CD1 3.77Å; R136-L245 HydrophobicContact CB-CD2 4.34Å; Y181-L245 HydrophobicContact CD2-CB 4.44Å; Y181-L245 HydrophobicContact CD2-CD2 3.55Å; Y181-L245 HydrophobicContact CD2-CG 3.61Å; Y181-L245 HydrophobicContact CE2-CD2 3.88Å; Y181-L245 HydrophobicContact CE2-CG 3.81Å; Y181-L245 HydrophobicContact CG-CD2 4.25Å; Y205-L245 HydrophobicContact CD2-CD2 4.2Å; Y205-L245 HydrophobicContact CG-CD2 4.44Å; Y205-L245 PolarHBondContact O-N 3.32Å; L213-L245 HydrophobicContact CD1-CD2 4.05Å; L213-L245 HydrophobicContact CD2-CB 4.45Å; N238-L245 HydrophobicContact CB-CD1 4.26Å; N238-L245 WeakPolarHBondContact OD1-CD1 3.41Å; I240-L245 HydrophobicContact CD1-CB 3.87Å; I240-L245 HydrophobicContact CD1-CD1 3.59Å; I240-L245 HydrophobicContact CD1-CG 4.35Å |
| 246 | A | 95.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F107 L172 N238 L239 V244 | F107-A246 HydrophobicContact CE1-CB 3.82Å; F107-A246 HydrophobicContact CZ-CB 3.69Å; L172-A246 HydrophobicContact CD2-CB 4.44Å; N238-A246 VanDerWaalsContact CA-O 3.3Å; N238-A246 WeakPolarHBondContact CA-O 3.23Å; N238-A246 WeakPolarHBondContact CB-O 3.34Å; L239-A246 HydrophobicContact CD2-CB 4.42Å; L239-A246 PolarHBondContact N-O 3.07Å; L239-A246 PolarHBondContact O-N 2.81Å; V244-A246 PolarHBondContact O-N 3.22Å |
| 247 | S | 92.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 158.2 | 173 | -167.4 | 0 | 0 | 0 | 0 | 110.5 | H178 L179 F249 | H178-S247 PolarHBondContact NE2-O 2.92Å; L179-S247 WeakPolarHBondContact O-CB 3.4Å; L179-S247 PolarHBondContact O-N 3.45Å; S247-F249 VanDerWaalsContact C-N 3.33Å; S247-F249 PolarHBondContact OG-N 3.43Å; S247-F249 VanDerWaalsContact OG-N 3.07Å |
| 248 | C | 89.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -85.5 | -9.5 | 162.2 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | P232 G237 N238 | P232-C248 PolarHBondContact O-SG 3.15Å; G237-C248 PolarHBondContact O-N 3.02Å; N238-C248 PolarHBondContact N-SG 2.95Å |
| 249 | F | 70.7 | Confident | 76 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | trans | -110.8 | 171.4 | -167.7 | -53 | -56.5 | 0 | 0 | 0 | 113.2 | L179 I233 G237 S247 E255 V258 K259 L262 | L179-F249 VanDerWaalsContact CB-O 3.23Å; L179-F249 WeakPolarHBondContact CB-O 3.32Å; L179-F249 HydrophobicContact CD1-CB 4.46Å; L179-F249 WeakPolarHBondContact CG-O 3.34Å; L179-F249 PolarHBondContact N-O 3.16Å; I233-F249 HydrophobicContact CG2-CE1 4.46Å; G237-F249 WeakPolarHBondContact O-CE2 3.37Å; S247-F249 VanDerWaalsContact C-N 3.33Å; S247-F249 PolarHBondContact OG-N 3.43Å; S247-F249 VanDerWaalsContact OG-N 3.07Å; F249-E255 HydrophobicContact CD2-CG 4.07Å; F249-E255 HydrophobicContact CE2-CG 4.41Å; F249-V258 HydrophobicContact CD1-CB 4.44Å; F249-V258 HydrophobicContact CD1-CG1 3.42Å; F249-V258 VanDerWaalsContact CD1-CG1 3.42Å; F249-V258 HydrophobicContact CD2-CG1 4.35Å; F249-V258 HydrophobicContact CE1-CG1 3.57Å; F249-V258 HydrophobicContact CE2-CG1 4.43Å; F249-V258 HydrophobicContact CG-CB 4.43Å; F249-V258 HydrophobicContact CG-CG1 3.85Å; F249-V258 HydrophobicContact CZ-CG1 4.06Å; F249-K259 HydrophobicContact CE2-CD 4.4Å; F249-K259 HydrophobicContact CE2-CG 3.55Å; F249-K259 HydrophobicContact CZ-CG 4Å; F249-L262 HydrophobicContact CD1-CD1 4.29Å; F249-L262 HydrophobicContact CE1-CD1 3.24Å; F249-L262 HydrophobicContact CZ-CD1 3.7Å | ||
| 250 | S | 55.9 | Low | 74.9 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | trans | -157 | -1.1 | -152.3 | 65.9 | 0 | 0 | 0 | 0 | 119 | R105 | R105-S250 WeakPolarHBondContact CD-OG 3.17Å; R105-S250 PolarHBondContact NE-O 2.82Å; R105-S250 PolarHBondContact NE-OG 2.75Å | ||
| 251 | T | 51.9 | Low | 73.7 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 37% | 0.368 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -168.3 | 123.4 | 164.9 | 23.3 | 0 | 0 | 0 | 0 | 110.7 | R105 | R105-T251 PolarHBondContact NH2-OG1 3.07Š|
| 252 | I | 42.3 | Very low | 72.5 | Confident | 146 Ų | 146 | 44.5 Ų | 44.5 | 75% | 0.749 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 45.7 | 100.3 | 140.7 | -51.9 | 172.9 | 0 | 0 | 0 | 115.5 | ||
| 253 | G | 45.7 | Very low | 71.5 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 146.8 | 134.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | E255 | G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.1Å |
| 254 | D | 53.2 | Low | 70.5 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | trans | -43.3 | 124.2 | 176.2 | -178.5 | -12.1 | 0 | 0 | 0 | 108.8 | T256 L257 V258 | D254-T256 CarbonylContact O-C 3.59Å; D254-T256 PolarHBondContact O-N 2.8Å; D254-T256 WeakPolarHBondContact OD1-CB 3.25Å; D254-T256 PolarHBondContact OD1-N 3.31Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; D254-L257 HydrophobicContact CB-CB 4.17Å; D254-L257 HydrophobicContact CB-CD1 3.88Å; D254-L257 HydrophobicContact CB-CG 3.84Å; D254-L257 WeakPolarHBondContact O-CA 3.37Å; D254-L257 WeakPolarHBondContact O-CB 3.13Å; D254-L257 PolarHBondContact O-N 3.41Å; D254-V258 PolarHBondContact O-N 3.13Å; D254-V258 VanDerWaalsContact O-N 3.13Å | ||
| 255 | E | 58.1 | Low | 69.6 | Low | 37 Ų | 37 | 52 Ų | 52 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -49 | -33.9 | 177.9 | 176.5 | -178 | 153.1 | 0 | 0 | 110.1 | Y181 F249 G253 V258 K259 | Y181-E255 VanDerWaalsContact CE1-OE2 3.25Å; Y181-E255 WeakPolarHBondContact CE1-OE2 3.48Å; Y181-E255 VanDerWaalsContact OH-CD 3.28Å; Y181-E255 PolarHBondContact OH-OE1 2.86Å; Y181-E255 PolarHBondContact OH-OE2 3.06Å; F249-E255 HydrophobicContact CD2-CG 4.07Å; F249-E255 HydrophobicContact CE2-CG 4.41Å; G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.1Å; E255-V258 PolarHBondContact O-N 3.39Å; E255-K259 HydrophobicContact CG-CD 4.18Å; E255-K259 HydrophobicContact CG-CG 4.5Å; E255-K259 WeakPolarHBondContact O-CB 3.28Å; E255-K259 VanDerWaalsContact O-CG 3.23Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.84Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.37Å; E255-K259 PolarHBondContact OE1-NZ 3.5Å |
| 256 | T | 65.7 | Low | 68.7 | Low | 77 Ų | 77 | 54 Ų | 54 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 172.5 | -42.9 | 0 | 0 | 0 | 0 | 112.2 | D254 K259 L260 | D254-T256 CarbonylContact O-C 3.59Å; D254-T256 PolarHBondContact O-N 2.8Å; D254-T256 WeakPolarHBondContact OD1-CB 3.25Å; D254-T256 PolarHBondContact OD1-N 3.31Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; T256-K259 PolarHBondContact O-N 2.99Å; T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.42Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.49Å; T256-L260 WeakPolarHBondContact O-CG 3.35Å; T256-L260 PolarHBondContact O-N 3.22Å |
| 257 | L | 63.9 | Low | 68.1 | Low | 107 Ų | 107 | 61.4 Ų | 61.4 | 56% | 0.56 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 177.7 | -72.2 | 173.1 | 0 | 0 | 0 | 112.1 | D254 K259 L260 A261 | D254-L257 HydrophobicContact CB-CB 4.17Å; D254-L257 HydrophobicContact CB-CD1 3.88Å; D254-L257 HydrophobicContact CB-CG 3.84Å; D254-L257 WeakPolarHBondContact O-CA 3.37Å; D254-L257 WeakPolarHBondContact O-CB 3.13Å; D254-L257 PolarHBondContact O-N 3.41Å; L257-K259 VanDerWaalsContact C-N 3.35Å; L257-L260 PolarHBondContact O-N 2.81Å; L257-A261 WeakPolarHBondContact O-CB 3.17Å; L257-A261 PolarHBondContact O-N 3.18Å |
| 258 | V | 65.8 | Low | 67.6 | Low | 45 Ų | 45 | 62.9 Ų | 62.9 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | F249 D254 E255 A261 L262 | F249-V258 HydrophobicContact CD1-CB 4.44Å; F249-V258 HydrophobicContact CD1-CG1 3.42Å; F249-V258 VanDerWaalsContact CD1-CG1 3.42Å; F249-V258 HydrophobicContact CD2-CG1 4.35Å; F249-V258 HydrophobicContact CE1-CG1 3.57Å; F249-V258 HydrophobicContact CE2-CG1 4.43Å; F249-V258 HydrophobicContact CG-CB 4.43Å; F249-V258 HydrophobicContact CG-CG1 3.85Å; F249-V258 HydrophobicContact CZ-CG1 4.06Å; D254-V258 PolarHBondContact O-N 3.13Å; D254-V258 VanDerWaalsContact O-N 3.13Å; E255-V258 PolarHBondContact O-N 3.39Å; V258-A261 PolarHBondContact O-N 3.2Å; V258-L262 HydrophobicContact CG1-CD1 4.01Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 2.98Å; V258-L262 PolarHBondContact O-N 2.8Å |
| 259 | K | 67.2 | Low | 67 | Low | 45 Ų | 45 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 172.8 | -76.3 | 179 | -178.5 | -176.5 | 0 | 111.8 | E236 F249 E255 T256 L257 L262 Q263 | E236-K259 WeakPolarHBondContact O-CE 3.49Å; E236-K259 PolarHBondContact O-NZ 3.18Å; F249-K259 HydrophobicContact CE2-CD 4.4Å; F249-K259 HydrophobicContact CE2-CG 3.55Å; F249-K259 HydrophobicContact CZ-CG 4Å; E255-K259 HydrophobicContact CG-CD 4.18Å; E255-K259 HydrophobicContact CG-CG 4.5Å; E255-K259 WeakPolarHBondContact O-CB 3.28Å; E255-K259 VanDerWaalsContact O-CG 3.23Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.84Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.37Å; E255-K259 PolarHBondContact OE1-NZ 3.5Å; T256-K259 PolarHBondContact O-N 2.99Å; L257-K259 VanDerWaalsContact C-N 3.35Å; K259-L262 PolarHBondContact O-N 2.83Å; K259-Q263 VanDerWaalsContact O-CB 3.3Å; K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 VanDerWaalsContact O-CG 3.23Å; K259-Q263 WeakPolarHBondContact O-CG 3.35Å; K259-Q263 PolarHBondContact O-N 2.88Å |
| 260 | L | 72.7 | Confident | 67.4 | Low | 95 Ų | 95 | 69.4 Ų | 69.4 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 179.1 | -75.6 | 170.6 | 0 | 0 | 0 | 111.6 | T256 L257 L262 Q263 Y264 | T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.42Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.49Å; T256-L260 WeakPolarHBondContact O-CG 3.35Å; T256-L260 PolarHBondContact O-N 3.22Å; L257-L260 PolarHBondContact O-N 2.81Å; L260-L262 PolarHBondContact O-N 3.04Å; L260-Q263 PolarHBondContact O-N 3.25Å; L260-Y264 WeakPolarHBondContact O-CB 3.47Å; L260-Y264 PolarHBondContact O-N 3.26Å |
| 261 | A | 73.1 | Confident | 68.8 | Low | 40 Ų | 40 | 71.2 Ų | 71.2 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L257 V258 Y264 A265 I303 | L257-A261 WeakPolarHBondContact O-CB 3.17Å; L257-A261 PolarHBondContact O-N 3.18Å; V258-A261 PolarHBondContact O-N 3.2Å; A261-Y264 PolarHBondContact O-N 2.9Å; A261-A265 WeakPolarHBondContact O-CB 3.47Å; A261-A265 PolarHBondContact O-N 2.84Å; A261-I303 HydrophobicContact CB-CG2 4.42Å |
| 262 | L | 71.4 | Confident | 70.3 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 177 | -71.5 | 170.9 | 0 | 0 | 0 | 112.3 | I233 F249 V258 K259 L260 Y264 A265 F266 | I233-L262 HydrophobicContact CD1-CD1 4.07Å; I233-L262 HydrophobicContact CD1-CD2 4.43Å; I233-L262 HydrophobicContact CG2-CD1 4.07Å; F249-L262 HydrophobicContact CD1-CD1 4.29Å; F249-L262 HydrophobicContact CE1-CD1 3.24Å; F249-L262 HydrophobicContact CZ-CD1 3.7Å; V258-L262 HydrophobicContact CG1-CD1 4.01Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 2.98Å; V258-L262 PolarHBondContact O-N 2.8Å; K259-L262 PolarHBondContact O-N 2.83Å; L260-L262 PolarHBondContact O-N 3.04Å; L262-Y264 VanDerWaalsContact C-N 3.28Å; L262-Y264 PolarHBondContact O-N 2.75Å; L262-A265 PolarHBondContact O-N 2.91Å; L262-F266 HydrophobicContact CB-CD2 4.35Å; L262-F266 HydrophobicContact CB-CE2 4.02Å; L262-F266 WeakPolarHBondContact O-CB 3.21Å; L262-F266 WeakPolarHBondContact O-CD2 3.47Å; L262-F266 VanDerWaalsContact O-CG 3.31Å; L262-F266 WeakPolarHBondContact O-CG 3.4Å; L262-F266 PolarHBondContact O-N 2.89Å |
| 263 | Q | 75.7 | Confident | 72.2 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174.2 | -77.7 | 175 | -12.8 | 0 | 0 | 111.2 | K259 L260 W267 | K259-Q263 VanDerWaalsContact O-CB 3.3Å; K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 VanDerWaalsContact O-CG 3.23Å; K259-Q263 WeakPolarHBondContact O-CG 3.35Å; K259-Q263 PolarHBondContact O-N 2.88Å; L260-Q263 PolarHBondContact O-N 3.25Å; Q263-W267 VanDerWaalsContact O-CB 3.31Å; Q263-W267 WeakPolarHBondContact O-CB 3.19Å; Q263-W267 PolarHBondContact O-N 2.91Å |
| 264 | Y | 76.8 | Confident | 74.1 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 173.8 | 179 | -103.5 | 0 | 0 | 0 | 111.8 | L260 A261 L262 F266 W267 V268 | L260-Y264 WeakPolarHBondContact O-CB 3.47Å; L260-Y264 PolarHBondContact O-N 3.26Å; A261-Y264 PolarHBondContact O-N 2.9Å; L262-Y264 VanDerWaalsContact C-N 3.28Å; L262-Y264 PolarHBondContact O-N 2.75Å; Y264-F266 VanDerWaalsContact C-N 3.34Å; Y264-F266 PolarHBondContact O-N 2.91Å; Y264-W267 HydrophobicContact CD2-CE3 4.44Å; Y264-W267 HydrophobicContact CE2-CE3 4.34Å; Y264-W267 HydrophobicContact CE2-CZ3 4.38Å; Y264-W267 PolarHBondContact O-N 2.66Å; Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CD2-CG2 4.42Å; Y264-V268 HydrophobicContact CE1-CG2 3.83Å; Y264-V268 HydrophobicContact CE2-CG2 4.01Å; Y264-V268 WeakPolarHBondContact O-CG2 3.06Å; Y264-V268 PolarHBondContact O-N 2.91Å |
| 265 | A | 77.3 | Confident | 75.7 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A261 L262 V268 Q269 L299 I303 | A261-A265 WeakPolarHBondContact O-CB 3.47Å; A261-A265 PolarHBondContact O-N 2.84Å; L262-A265 PolarHBondContact O-N 2.91Å; A265-V268 PolarHBondContact O-N 3.42Å; A265-Q269 WeakPolarHBondContact O-CB 3.04Å; A265-Q269 WeakPolarHBondContact O-CG 3.17Å; A265-Q269 PolarHBondContact O-N 2.88Å; A265-L299 HydrophobicContact CB-CD2 4.44Å; A265-I303 HydrophobicContact CB-CD1 4.04Å |
| 266 | F | 77.9 | Confident | 77 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 19% | 0.189 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 176 | -67.4 | -47.9 | 0 | 0 | 0 | 112.2 | M148 I233 L262 Y264 Q269 H270 | M148-F266 HydrophobicContact CB-CD2 4.45Å; M148-F266 HydrophobicContact CB-CE1 3.89Å; M148-F266 HydrophobicContact CB-CE2 3.72Å; M148-F266 HydrophobicContact CB-CZ 3.4Å; M148-F266 VanDerWaalsContact CB-CZ 3.4Å; M148-F266 HydrophobicContact CE-CB 4.49Å; M148-F266 HydrophobicContact CE-CD1 4.37Å; M148-F266 HydrophobicContact CE-CD2 4.25Å; M148-F266 HydrophobicContact CE-CG 4.14Å; M148-F266 HydrophobicContact CG-CE2 4.09Å; M148-F266 HydrophobicContact CG-CZ 4.27Å; I233-F266 HydrophobicContact CG2-CE2 4.49Å; L262-F266 HydrophobicContact CB-CD2 4.35Å; L262-F266 HydrophobicContact CB-CE2 4.02Å; L262-F266 WeakPolarHBondContact O-CB 3.21Å; L262-F266 WeakPolarHBondContact O-CD2 3.47Å; L262-F266 VanDerWaalsContact O-CG 3.31Å; L262-F266 WeakPolarHBondContact O-CG 3.4Å; L262-F266 PolarHBondContact O-N 2.89Å; Y264-F266 VanDerWaalsContact C-N 3.34Å; Y264-F266 PolarHBondContact O-N 2.91Å; F266-Q269 PolarHBondContact O-N 3.27Å; F266-H270 WeakPolarHBondContact O-CB 3.32Å; F266-H270 PolarHBondContact O-N 3.1Å |
| 267 | W | 83.8 | Confident | 78 | Confident | 155 Ų | 155 | 72.6 Ų | 72.6 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -45.1 | 175 | 179.9 | 84.4 | 0 | 0 | 0 | 111.8 | Q263 Y264 H270 I271 | Q263-W267 VanDerWaalsContact O-CB 3.31Å; Q263-W267 WeakPolarHBondContact O-CB 3.19Å; Q263-W267 PolarHBondContact O-N 2.91Å; Y264-W267 HydrophobicContact CD2-CE3 4.44Å; Y264-W267 HydrophobicContact CE2-CE3 4.34Å; Y264-W267 HydrophobicContact CE2-CZ3 4.38Å; Y264-W267 PolarHBondContact O-N 2.66Å; W267-H270 PolarHBondContact O-N 2.69Å; W267-I271 HydrophobicContact CD2-CD1 3.64Å; W267-I271 HydrophobicContact CE3-CD1 3.91Å; W267-I271 HydrophobicContact CG-CD1 4.41Å; W267-I271 HydrophobicContact CH2-CD1 3.45Å; W267-I271 VanDerWaalsContact CH2-CD1 3.45Å; W267-I271 HydrophobicContact CZ2-CD1 3.14Å; W267-I271 HydrophobicContact CZ3-CD1 3.82Å; W267-I271 WeakPolarHBondContact O-CG1 3.25Å; W267-I271 PolarHBondContact O-N 2.69Å |
| 268 | V | 80.7 | Confident | 78.7 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 174.2 | 171 | 0 | 0 | 0 | 0 | 110.7 | Y264 A265 H270 I271 A272 F285 | Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CD2-CG2 4.42Å; Y264-V268 HydrophobicContact CE1-CG2 3.83Å; Y264-V268 HydrophobicContact CE2-CG2 4.01Å; Y264-V268 WeakPolarHBondContact O-CG2 3.06Å; Y264-V268 PolarHBondContact O-N 2.91Å; A265-V268 PolarHBondContact O-N 3.42Å; V268-H270 VanDerWaalsContact C-N 3.34Å; V268-H270 PolarHBondContact O-N 2.72Å; V268-I271 PolarHBondContact O-N 3.47Å; V268-A272 VanDerWaalsContact O-CB 3.25Å; V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.03Å; V268-F285 HydrophobicContact CG1-CE1 4.36Å; V268-F285 HydrophobicContact CG1-CZ 4.18Å |
| 269 | Q | 77.5 | Confident | 79.2 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.3 | -78.8 | 177.9 | -11.8 | 0 | 0 | 112.2 | A265 F266 A272 A273 F285 | A265-Q269 WeakPolarHBondContact O-CB 3.04Å; A265-Q269 WeakPolarHBondContact O-CG 3.17Å; A265-Q269 PolarHBondContact O-N 2.88Å; F266-Q269 PolarHBondContact O-N 3.27Å; Q269-A272 PolarHBondContact O-N 3Å; Q269-A273 WeakPolarHBondContact O-CB 3.35Å; Q269-A273 PolarHBondContact O-N 3.35Å; Q269-F285 HydrophobicContact CG-CD1 3.51Å; Q269-F285 HydrophobicContact CG-CE1 3.67Å; Q269-F285 HydrophobicContact CG-CG 4.34Å |
| 270 | H | 79.9 | Confident | 79.7 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 179.6 | -171.7 | 74.7 | 0 | 0 | 0 | 112.3 | F266 W267 V268 K274 | F266-H270 WeakPolarHBondContact O-CB 3.32Å; F266-H270 PolarHBondContact O-N 3.1Å; W267-H270 PolarHBondContact O-N 2.69Å; V268-H270 VanDerWaalsContact C-N 3.34Å; V268-H270 PolarHBondContact O-N 2.72Å; H270-K274 WeakPolarHBondContact NE2-CE 3.3Å; H270-K274 PolarHBondContact NE2-NZ 2.86Å |
| 271 | I | 84.6 | Confident | 79.8 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 30% | 0.297 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.2 | -46.1 | 174.1 | -71.4 | 178.5 | 0 | 0 | 0 | 110.7 | W267 V268 A273 K274 L275 | W267-I271 HydrophobicContact CD2-CD1 3.64Å; W267-I271 HydrophobicContact CE3-CD1 3.91Å; W267-I271 HydrophobicContact CG-CD1 4.41Å; W267-I271 HydrophobicContact CH2-CD1 3.45Å; W267-I271 VanDerWaalsContact CH2-CD1 3.45Å; W267-I271 HydrophobicContact CZ2-CD1 3.14Å; W267-I271 HydrophobicContact CZ3-CD1 3.82Å; W267-I271 WeakPolarHBondContact O-CG1 3.25Å; W267-I271 PolarHBondContact O-N 2.69Å; V268-I271 PolarHBondContact O-N 3.47Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.15Å; I271-K274 PolarHBondContact O-N 3.12Å; I271-L275 HydrophobicContact CG2-CD1 3.53Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 PolarHBondContact O-N 3.38Å |
| 272 | A | 83.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 8% | 0.083 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V268 Q269 K274 L275 L276 Y281 F285 | V268-A272 VanDerWaalsContact O-CB 3.25Å; V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.03Å; Q269-A272 PolarHBondContact O-N 3Å; A272-K274 PolarHBondContact O-N 3.41Å; A272-L275 PolarHBondContact O-N 3.04Å; A272-L276 HydrophobicContact CB-CD1 3.84Å; A272-L276 HydrophobicContact CB-CG 4.23Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.42Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-Y281 HydrophobicContact CB-CD2 4.07Å; A272-Y281 HydrophobicContact CB-CE2 4.17Å; A272-F285 HydrophobicContact CB-CD2 4.08Å; A272-F285 HydrophobicContact CB-CE2 3.25Å; A272-F285 HydrophobicContact CB-CZ 3.58Å |
| 273 | A | 81.4 | Confident | 80 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -24.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q269 I271 Y281 | Q269-A273 WeakPolarHBondContact O-CB 3.35Å; Q269-A273 PolarHBondContact O-N 3.35Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.15Å; A273-Y281 HydrophobicContact CB-CD2 4.08Å; A273-Y281 HydrophobicContact CB-CE2 3.58Å |
| 274 | K | 86.3 | Confident | 79.5 | Confident | 150 Ų | 150 | 81.7 Ų | 81.7 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -90.6 | -29.4 | 177.4 | -68.4 | -178.1 | -175.5 | 175.4 | 0 | 113.5 | H270 I271 A272 | H270-K274 WeakPolarHBondContact NE2-CE 3.3Å; H270-K274 PolarHBondContact NE2-NZ 2.86Å; I271-K274 PolarHBondContact O-N 3.12Å; A272-K274 PolarHBondContact O-N 3.41Å |
| 275 | L | 87.9 | Confident | 79.3 | Confident | 133 Ų | 133 | 76.2 Ų | 76.2 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -102.9 | -34.7 | -171.6 | -65.6 | -178 | 0 | 0 | 0 | 114 | I271 A272 | I271-L275 HydrophobicContact CG2-CD1 3.53Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 PolarHBondContact O-N 3.38Å; A272-L275 PolarHBondContact O-N 3.04Å |
| 276 | L | 85.4 | Confident | 78.7 | Confident | 54 Ų | 54 | 77 Ų | 77 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -83.9 | 138.2 | -176 | -59.9 | -178.1 | 0 | 0 | 0 | 110.3 | A272 M280 F285 | A272-L276 HydrophobicContact CB-CD1 3.84Å; A272-L276 HydrophobicContact CB-CG 4.23Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.42Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 2.74Å; L276-M280 HydrophobicContact CB-CB 4.34Å; L276-M280 HydrophobicContact CB-CG 4.43Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD2-CG 4.29Å; L276-M280 HydrophobicContact CD2-SD 3.75Å; L276-F285 HydrophobicContact CD1-CE2 3.96Å |
| 277 | P | 85.7 | Confident | 77.5 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 57% | 0.571 | 41% | 0.406 | S | S | * | . | trans | -52.6 | 142.9 | 164.5 | -23.4 | 33.3 | 0 | 0 | 0 | 110.3 | A279 M280 Y281 | P277-A279 VanDerWaalsContact C-N 3.25Å; P277-A279 PolarHBondContact O-N 2.84Å; P277-A279 VanDerWaalsContact O-N 3.1Å; P277-M280 WeakPolarHBondContact O-CA 3.38Å; P277-M280 WeakPolarHBondContact O-CB 3.42Å; P277-M280 PolarHBondContact O-N 2.79Å; P277-Y281 PolarHBondContact O-N 3.34Å | ||
| 278 | Q | 78.1 | Confident | 75.9 | Confident | 142 Ų | 142 | 77.4 Ų | 77.4 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -49.7 | -43.6 | -173.3 | -175.8 | 179.1 | -11.9 | 0 | 0 | 113.2 | M280 Y281 E282 | Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 2.87Å; Q278-Y281 PolarHBondContact O-N 3.45Å; Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.4Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 WeakPolarHBondContact O-CB 3.35Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 2.96Å |
| 279 | A | 76.3 | Confident | 74 | Confident | 76 Ų | 76 | 79 Ų | 79 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P277 Y283 | P277-A279 VanDerWaalsContact C-N 3.25Å; P277-A279 PolarHBondContact O-N 2.84Å; P277-A279 VanDerWaalsContact O-N 3.1Å; A279-Y283 WeakPolarHBondContact O-CB 3.38Å; A279-Y283 PolarHBondContact O-N 3.25Å |
| 280 | M | 77.7 | Confident | 72 | Confident | 102 Ų | 102 | 81.6 Ų | 81.6 | 50% | 0.502 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.3 | -35.7 | 177.5 | -174.8 | 173.2 | -79.2 | 0 | 0 | 111.5 | L276 P277 Q278 T284 | L276-M280 HydrophobicContact CB-CB 4.34Å; L276-M280 HydrophobicContact CB-CG 4.43Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD2-CG 4.29Å; L276-M280 HydrophobicContact CD2-SD 3.75Å; P277-M280 WeakPolarHBondContact O-CA 3.38Å; P277-M280 WeakPolarHBondContact O-CB 3.42Å; P277-M280 PolarHBondContact O-N 2.79Å; Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 2.87Å; M280-T284 WeakPolarHBondContact O-CB 3.44Å; M280-T284 PolarHBondContact O-N 3.16Å; M280-T284 PolarHBondContact O-OG1 2.91Å |
| 281 | Y | 75.7 | Confident | 69.8 | Low | 41 Ų | 41 | 82.6 Ų | 82.6 | 16% | 0.161 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 172.4 | -178.2 | -93 | 0 | 0 | 0 | 111.3 | A272 A273 P277 Q278 Y283 T284 F285 V288 | A272-Y281 HydrophobicContact CB-CD2 4.07Å; A272-Y281 HydrophobicContact CB-CE2 4.17Å; A273-Y281 HydrophobicContact CB-CD2 4.08Å; A273-Y281 HydrophobicContact CB-CE2 3.58Å; P277-Y281 PolarHBondContact O-N 3.34Å; Q278-Y281 PolarHBondContact O-N 3.45Å; Y281-Y283 VanDerWaalsContact C-N 3.31Å; Y281-Y283 PolarHBondContact O-N 2.87Å; Y281-T284 CarbonylContact O-C 3.54Å; Y281-T284 PolarHBondContact O-N 3.01Å; Y281-T284 VanDerWaalsContact O-N 3.07Å; Y281-F285 AromaticContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CE2 4.2Å; Y281-F285 HydrophobicContact CD2-CG 4.33Å; Y281-F285 HydrophobicContact CE1-CB 4.24Å; Y281-F285 HydrophobicContact CE2-CB 4.14Å; Y281-F285 AromaticContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 HydrophobicContact CE2-CG 4.01Å; Y281-F285 HydrophobicContact CG-CD2 4.23Å; Y281-F285 PolarHBondContact O-N 2.79Å; Y281-V288 HydrophobicContact CE1-CG2 4.26Å |
| 282 | E | 75 | Confident | 67.5 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 178.9 | -71.9 | 176.6 | -172.7 | 0 | 0 | 111.8 | Q278 T284 G286 | Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.4Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 WeakPolarHBondContact O-CB 3.35Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 2.96Å; E282-T284 VanDerWaalsContact C-N 3.35Å; E282-G286 CarbonylContact O-C 3.48Å; E282-G286 WeakPolarHBondContact O-CA 3.37Å; E282-G286 PolarHBondContact O-N 2.94Å |
| 283 | Y | 73.3 | Confident | 65.5 | Low | 187 Ų | 187 | 88.6 Ų | 88.6 | 73% | 0.733 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 172.3 | -179 | -97.7 | 0 | 0 | 0 | 112.5 | A279 Y281 | A279-Y283 WeakPolarHBondContact O-CB 3.38Å; A279-Y283 PolarHBondContact O-N 3.25Å; Y281-Y283 VanDerWaalsContact C-N 3.31Å; Y281-Y283 PolarHBondContact O-N 2.87Å |
| 284 | T | 65.8 | Low | 63.4 | Low | 18 Ų | 18 | 92.7 Ų | 92.7 | 11% | 0.11 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -91.1 | -15.1 | -171.7 | -48.7 | 0 | 0 | 0 | 0 | 113.7 | M280 Y281 E282 S296 L298 | M280-T284 WeakPolarHBondContact O-CB 3.44Å; M280-T284 PolarHBondContact O-N 3.16Å; M280-T284 PolarHBondContact O-OG1 2.91Å; Y281-T284 CarbonylContact O-C 3.54Å; Y281-T284 PolarHBondContact O-N 3.01Å; Y281-T284 VanDerWaalsContact O-N 3.07Å; E282-T284 VanDerWaalsContact C-N 3.35Å; T284-S296 WeakPolarHBondContact O-CB 3.37Å; T284-S296 PolarHBondContact O-OG 3.44Å; T284-L298 HydrophobicContact CG2-CB 4.07Å; T284-L298 HydrophobicContact CG2-CD1 4.36Å; T284-L298 HydrophobicContact CG2-CD2 3.89Å; T284-L298 HydrophobicContact CG2-CG 4.33Å |
| 285 | F | 71.5 | Confident | 61.8 | Low | 22 Ų | 22 | 88.4 Ų | 88.4 | 10% | 0.096 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -139.3 | -3.8 | -175.6 | -62.7 | -79.5 | 0 | 0 | 0 | 113.8 | V268 Q269 A272 L276 Y281 L299 | V268-F285 HydrophobicContact CG1-CE1 4.36Å; V268-F285 HydrophobicContact CG1-CZ 4.18Å; Q269-F285 HydrophobicContact CG-CD1 3.51Å; Q269-F285 HydrophobicContact CG-CE1 3.67Å; Q269-F285 HydrophobicContact CG-CG 4.34Å; A272-F285 HydrophobicContact CB-CD2 4.08Å; A272-F285 HydrophobicContact CB-CE2 3.25Å; A272-F285 HydrophobicContact CB-CZ 3.58Å; L276-F285 HydrophobicContact CD1-CE2 3.96Å; Y281-F285 AromaticContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CE2 4.2Å; Y281-F285 HydrophobicContact CD2-CG 4.33Å; Y281-F285 HydrophobicContact CE1-CB 4.24Å; Y281-F285 HydrophobicContact CE2-CB 4.14Å; Y281-F285 AromaticContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 HydrophobicContact CE2-CG 4.01Å; Y281-F285 HydrophobicContact CG-CD2 4.23Å; Y281-F285 PolarHBondContact O-N 2.79Å; F285-L299 HydrophobicContact CD1-CD1 4.02Å; F285-L299 HydrophobicContact CE1-CD1 3.62Å |
| 286 | G | 64.9 | Low | 59.9 | Low | 22 Ų | 22 | 82.6 Ų | 82.6 | 23% | 0.227 | 47% | 0.474 | C | S | . | . | trans | 85.5 | 166.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E282 | E282-G286 CarbonylContact O-C 3.48Å; E282-G286 WeakPolarHBondContact O-CA 3.37Å; E282-G286 PolarHBondContact O-N 2.94Å | ||
| 287 | S | 53.8 | Low | 58.3 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | trans | -83 | 129.2 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | G289 | S287-G289 PolarHBondContact O-N 2.79Š| ||
| 288 | V | 49.3 | Very low | 56.4 | Low | 131 Ų | 131 | 84.2 Ų | 84.2 | 79% | 0.794 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 75.9 | 173.7 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | Y281 | Y281-V288 HydrophobicContact CE1-CG2 4.26Š|
| 289 | G | 41.4 | Very low | 55.1 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.6 | -10.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | S287 | S287-G289 PolarHBondContact O-N 2.79Š|
| 290 | T | 34 | Very low | 53.8 | Low | 98 Ų | 98 | 80.8 Ų | 80.8 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -123.7 | 147.6 | -178.1 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | T292 | T290-T292 PolarHBondContact O-N 3.34Š|
| 291 | T | 34 | Very low | 52.3 | Low | 129 Ų | 129 | 80.5 Ų | 80.5 | 79% | 0.791 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -66.2 | 20.8 | -173.1 | 40 | 0 | 0 | 0 | 0 | 115.2 | ||
| 292 | T | 37.1 | Very low | 50.8 | Low | 92 Ų | 92 | 83.8 Ų | 83.8 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -142.2 | 108 | -179.4 | 42.4 | 0 | 0 | 0 | 0 | 106.9 | T290 E294 | T290-T292 PolarHBondContact O-N 3.34Å; T292-E294 VanDerWaalsContact C-N 3.32Å; T292-E294 PolarHBondContact O-N 2.84Å |
| 293 | V | 40.1 | Very low | 49.6 | Very low | 101 Ų | 101 | 82.5 Ų | 82.5 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | trans | -73.6 | 92.5 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 106.7 | I295 | V293-I295 PolarHBondContact O-N 2.91Å; V293-I295 VanDerWaalsContact O-N 3.08Å | ||
| 294 | E | 39 | Very low | 48 | Very low | 143 Ų | 143 | 75.6 Ų | 75.6 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | trans | -69 | 105.2 | 166.7 | -77.8 | -161.9 | 152.6 | 0 | 0 | 108.1 | T292 S296 | T292-E294 VanDerWaalsContact C-N 3.32Å; T292-E294 PolarHBondContact O-N 2.84Å; E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.12Å | ||
| 295 | I | 52 | Low | 47.2 | Very low | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.308 | 47% | 0.465 | S | S | . | . | trans | -55.6 | 120.4 | 168.3 | -56.1 | 174.9 | 0 | 0 | 0 | 106.4 | V293 L299 R300 | V293-I295 PolarHBondContact O-N 2.91Å; V293-I295 VanDerWaalsContact O-N 3.08Å; I295-L299 HydrophobicContact CG2-CB 3.71Å; I295-L299 HydrophobicContact CG2-CD2 3.89Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-R300 HydrophobicContact CB-CG 4.14Å; I295-R300 HydrophobicContact CG2-CG 3.7Å; I295-R300 VanDerWaalsContact O-CZ 3.31Å; I295-R300 PolarHBondContact O-NE 3.28Å; I295-R300 PolarHBondContact O-NH2 3.43Å | ||
| 296 | S | 48.8 | Very low | 45.6 | Very low | 11 Ų | 11 | 79.6 Ų | 79.6 | 8% | 0.077 | 49% | 0.486 | C | S | . | . | trans | -60.1 | 154.9 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 112 | T284 E294 L298 L299 R300 | T284-S296 WeakPolarHBondContact O-CB 3.37Å; T284-S296 PolarHBondContact O-OG 3.44Å; E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.12Å; S296-L298 PolarHBondContact O-N 3.04Å; S296-L298 VanDerWaalsContact O-N 3.15Å; S296-L299 PolarHBondContact O-N 2.87Å; S296-L299 VanDerWaalsContact O-N 3.08Å; S296-L299 PolarHBondContact OG-N 3.38Å; S296-R300 WeakPolarHBondContact O-CG 3.23Å; S296-R300 PolarHBondContact O-N 2.75Å | ||
| 297 | S | 49.9 | Very low | 44.4 | Very low | 87 Ų | 87 | 85.8 Ų | 85.8 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -52.9 | -36.1 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | R300 S301 | S297-R300 PolarHBondContact O-N 2.02Å; S297-S301 PolarHBondContact O-N 3.27Å |
| 298 | L | 47.7 | Very low | 43.9 | Very low | 89 Ų | 89 | 90.9 Ų | 90.9 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 179.4 | -141.4 | 112.6 | 0 | 0 | 0 | 112.1 | T284 S296 S301 L302 | T284-L298 HydrophobicContact CG2-CB 4.07Å; T284-L298 HydrophobicContact CG2-CD1 4.36Å; T284-L298 HydrophobicContact CG2-CD2 3.89Å; T284-L298 HydrophobicContact CG2-CG 4.33Å; S296-L298 PolarHBondContact O-N 3.04Å; S296-L298 VanDerWaalsContact O-N 3.15Å; L298-S301 WeakPolarHBondContact O-CB 2.97Å; L298-S301 PolarHBondContact O-N 3.32Å; L298-L302 HydrophobicContact CD2-CD1 3.89Å; L298-L302 WeakPolarHBondContact O-CB 3.04Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.05Å |
| 299 | L | 49.5 | Very low | 43.1 | Very low | 13 Ų | 13 | 90.9 Ų | 90.9 | 7% | 0.068 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -73.8 | -32.6 | 178.8 | -144.1 | 93.8 | 0 | 0 | 0 | 111.7 | A265 F285 I295 S296 S301 L302 I303 | A265-L299 HydrophobicContact CB-CD2 4.44Å; F285-L299 HydrophobicContact CD1-CD1 4.02Å; F285-L299 HydrophobicContact CE1-CD1 3.62Å; I295-L299 HydrophobicContact CG2-CB 3.71Å; I295-L299 HydrophobicContact CG2-CD2 3.89Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; S296-L299 PolarHBondContact O-N 2.87Å; S296-L299 VanDerWaalsContact O-N 3.08Å; S296-L299 PolarHBondContact OG-N 3.38Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 2.81Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-I303 HydrophobicContact CD2-CD1 3.67Å; L299-I303 HydrophobicContact CG-CD1 3.71Å; L299-I303 HydrophobicContact CG-CG1 4.35Å; L299-I303 WeakPolarHBondContact O-CG1 3.37Å; L299-I303 PolarHBondContact O-N 3.4Å; L299-I303 VanDerWaalsContact O-N 3.16Å |
| 300 | R | 49.5 | Very low | 42.5 | Very low | 132 Ų | 132 | 92.7 Ų | 92.7 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 170.3 | -67.5 | -179.4 | -156.2 | -135.9 | 3.1 | 111.8 | I295 S296 S297 | I295-R300 HydrophobicContact CB-CG 4.14Å; I295-R300 HydrophobicContact CG2-CG 3.7Å; I295-R300 VanDerWaalsContact O-CZ 3.31Å; I295-R300 PolarHBondContact O-NE 3.28Å; I295-R300 PolarHBondContact O-NH2 3.43Å; S296-R300 WeakPolarHBondContact O-CG 3.23Å; S296-R300 PolarHBondContact O-N 2.75Å; S297-R300 PolarHBondContact O-N 2.02Å |
| 301 | S | 44.9 | Very low | 42.5 | Very low | 97 Ų | 97 | 95.1 Ų | 95.1 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.3 | -45.7 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | S297 L298 L299 G304 | S297-S301 PolarHBondContact O-N 3.27Å; L298-S301 WeakPolarHBondContact O-CB 2.97Å; L298-S301 PolarHBondContact O-N 3.32Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 2.81Å; S301-G304 PolarHBondContact O-N 3.23Å |
| 302 | L | 44.2 | Very low | 42.9 | Very low | 109 Ų | 109 | 93.5 Ų | 93.5 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.3 | -33.8 | -174 | -78.4 | 169.1 | 0 | 0 | 0 | 114.4 | L298 L299 G304 | L298-L302 HydrophobicContact CD2-CD1 3.89Å; L298-L302 WeakPolarHBondContact O-CB 3.04Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.05Å; L299-L302 PolarHBondContact O-N 2.85Å; L302-G304 VanDerWaalsContact C-N 3.31Å |
| 303 | I | 50.3 | Low | 43.2 | Very low | 50 Ų | 50 | 93.5 Ų | 93.5 | 26% | 0.256 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.3 | -176.8 | -45.1 | 162.8 | 0 | 0 | 0 | 111.4 | A261 A265 L299 I305 | A261-I303 HydrophobicContact CB-CG2 4.42Å; A265-I303 HydrophobicContact CB-CD1 4.04Å; L299-I303 HydrophobicContact CD2-CD1 3.67Å; L299-I303 HydrophobicContact CG-CD1 3.71Å; L299-I303 HydrophobicContact CG-CG1 4.35Å; L299-I303 WeakPolarHBondContact O-CG1 3.37Å; L299-I303 PolarHBondContact O-N 3.4Å; L299-I303 VanDerWaalsContact O-N 3.16Å; I303-I305 HydrophobicContact CB-CD1 3.6Å; I303-I305 HydrophobicContact CB-CG1 3.48Å; I303-I305 VanDerWaalsContact CB-CG1 3.48Å; I303-I305 HydrophobicContact CD1-CD1 3.97Å; I303-I305 HydrophobicContact CG1-CD1 4.41Å; I303-I305 HydrophobicContact CG2-CD1 3.38Å; I303-I305 HydrophobicContact CG2-CG1 3.33Å; I303-I305 WeakPolarHBondContact O-CG1 3.16Å; I303-I305 PolarHBondContact O-N 2.59Å |
| 304 | G | 39.5 | Very low | 43.4 | Very low | 42 Ų | 42 | 93.1 Ų | 93.1 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | trans | 56.6 | 16.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S301 L302 S306 | S301-G304 PolarHBondContact O-N 3.23Å; L302-G304 VanDerWaalsContact C-N 3.31Å; G304-S306 PolarHBondContact O-N 3.03Å | ||
| 305 | I | 48.9 | Very low | 43.7 | Very low | 47 Ų | 47 | 90.2 Ų | 90.2 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -80.8 | 1.5 | -177.9 | -35.5 | 169.7 | 0 | 0 | 0 | 110.4 | I303 K307 Y308 F309 | I303-I305 HydrophobicContact CB-CD1 3.6Å; I303-I305 HydrophobicContact CB-CG1 3.48Å; I303-I305 VanDerWaalsContact CB-CG1 3.48Å; I303-I305 HydrophobicContact CD1-CD1 3.97Å; I303-I305 HydrophobicContact CG1-CD1 4.41Å; I303-I305 HydrophobicContact CG2-CD1 3.38Å; I303-I305 HydrophobicContact CG2-CG1 3.33Å; I303-I305 WeakPolarHBondContact O-CG1 3.16Å; I303-I305 PolarHBondContact O-N 2.59Å; I305-K307 PolarHBondContact O-N 3.22Å; I305-Y308 HydrophobicContact CG2-CD2 4.23Å; I305-Y308 HydrophobicContact CG2-CG 4.45Å; I305-Y308 CarbonylContact O-C 3.59Å; I305-Y308 PolarHBondContact O-N 3.23Å; I305-F309 HydrophobicContact CB-CD2 4.32Å; I305-F309 HydrophobicContact CG2-CD2 3.51Å; I305-F309 HydrophobicContact CG2-CE2 3.96Å; I305-F309 PolarHBondContact O-N 3.06Å |
| 306 | S | 39 | Very low | 43.1 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -57.1 | -21.3 | 168 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | G304 V310 | G304-S306 PolarHBondContact O-N 3.03Å; S306-V310 VanDerWaalsContact O-CG2 3.27Å; S306-V310 WeakPolarHBondContact O-CG2 3.49Å |
| 307 | K | 40.5 | Very low | 42.8 | Very low | 151 Ų | 151 | 97.5 Ų | 97.5 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -82 | -12.6 | 172 | -70.8 | -172.1 | 176 | -175.4 | 0 | 115 | I305 | I305-K307 PolarHBondContact O-N 3.22Š|
| 308 | Y | 42.3 | Very low | 42.3 | Very low | 182 Ų | 182 | 98.2 Ų | 98.2 | 71% | 0.714 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -4.2 | 177.7 | -54.7 | -85.3 | 0 | 0 | 0 | 113.5 | I305 | I305-Y308 HydrophobicContact CG2-CD2 4.23Å; I305-Y308 HydrophobicContact CG2-CG 4.45Å; I305-Y308 CarbonylContact O-C 3.59Å; I305-Y308 PolarHBondContact O-N 3.23Å |
| 309 | F | 31.8 | Very low | 41.8 | Very low | 132 Ų | 132 | 98.9 Ų | 98.9 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | trans | -125.5 | 77.4 | 165.2 | -78.6 | -86.1 | 0 | 0 | 0 | 107.8 | I305 | I305-F309 HydrophobicContact CB-CD2 4.32Å; I305-F309 HydrophobicContact CG2-CD2 3.51Å; I305-F309 HydrophobicContact CG2-CE2 3.96Å; I305-F309 PolarHBondContact O-N 3.06Å | ||
| 310 | V | 29.7 | Very low | 41.2 | Very low | 105 Ų | 105 | 106.1 Ų | 106.1 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -98.8 | 134.5 | 158.8 | 178.6 | 0 | 0 | 0 | 0 | 105.9 | S306 | S306-V310 VanDerWaalsContact O-CG2 3.27Å; S306-V310 WeakPolarHBondContact O-CG2 3.49Å | ||
| 311 | S | 33.8 | Very low | 40.4 | Very low | 149 Ų | 149 | 103.7 Ų | 103.7 | 100% | 1.042 | 58% | 0.577 | S | S | * | * | trans | -4.3 | 0 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 118.3 |
Retrieved 311 of 311 residues in 130.4 ms
(Link to these results)