| 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 | 40.6 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 100% | 1.02 | 65% | 0.652 | S | S | * | * | 0 | -37.4 | 0 | -137.1 | 164 | 76.4 | 0 | 0 | 112.2 | K5 | M1-K5 PolarHBondContact O-N 3.21Š| |||
| 2 | E | 36.5 | Very low | 40.6 | Very low | 145 Ų | 145 | 138 Ų | 138 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70 | -36.4 | 174.1 | -67.8 | -143.4 | 143.9 | 0 | 0 | 114.6 | R4 K5 Y6 | E2-R4 PolarHBondContact O-N 3.08Å; E2-K5 WeakPolarHBondContact O-CB 3.43Å; E2-K5 PolarHBondContact O-N 3.04Å; E2-K5 VanDerWaalsContact O-N 3.08Å; E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 PolarHBondContact O-N 3.34Å |
| 3 | L | 38.3 | Very low | 40.6 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 72% | 0.723 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.9 | -31.6 | 176.6 | -143.6 | 83.4 | 0 | 0 | 0 | 112.7 | L7 | L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 PolarHBondContact O-N 3.32Å |
| 4 | R | 37.4 | Very low | 40.3 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.5 | -33 | 177.2 | -151.1 | 177.2 | -171.6 | -175.8 | 2.3 | 111.6 | E2 L8 | E2-R4 PolarHBondContact O-N 3.08Å; R4-L8 HydrophobicContact CG-CD1 4.44Å; R4-L8 VanDerWaalsContact O-CB 3.26Å; R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 WeakPolarHBondContact O-CD1 3.33Å; R4-L8 WeakPolarHBondContact O-CG 3.32Å; R4-L8 PolarHBondContact O-N 3.29Å |
| 5 | K | 46.7 | Very low | 39.8 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -38.5 | 171.6 | -83.4 | -176.6 | 172.7 | -177.8 | 0 | 111.9 | M1 E2 C9 | M1-K5 PolarHBondContact O-N 3.21Å; E2-K5 WeakPolarHBondContact O-CB 3.43Å; E2-K5 PolarHBondContact O-N 3.04Å; E2-K5 VanDerWaalsContact O-N 3.08Å; K5-C9 WeakPolarHBondContact O-CB 3.34Å; K5-C9 PolarHBondContact O-N 3.25Å |
| 6 | Y | 44 | Very low | 39.3 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 65% | 0.651 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -38.9 | 174.7 | -86.8 | -80.8 | 0 | 0 | 0 | 112.3 | E2 C9 L10 | E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 PolarHBondContact O-N 3.34Å; Y6-C9 PolarHBondContact O-N 3.27Å; Y6-L10 WeakPolarHBondContact O-CB 3.18Å; Y6-L10 PolarHBondContact O-N 3.2Å |
| 7 | L | 44 | Very low | 38.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 56% | 0.56 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.5 | -42.9 | 172.1 | -107.5 | 88.4 | 0 | 0 | 0 | 112.3 | L3 L10 E11 | L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-E11 WeakPolarHBondContact O-CB 3.16Å; L7-E11 PolarHBondContact O-N 3.4Å |
| 8 | L | 43.7 | Very low | 38.5 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.4 | -38.6 | 175.2 | -86.2 | 156 | 0 | 0 | 0 | 111.8 | R4 F12 | R4-L8 HydrophobicContact CG-CD1 4.44Å; R4-L8 VanDerWaalsContact O-CB 3.26Å; R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 WeakPolarHBondContact O-CD1 3.33Å; R4-L8 WeakPolarHBondContact O-CG 3.32Å; R4-L8 PolarHBondContact O-N 3.29Å; L8-F12 WeakPolarHBondContact O-CB 3.42Å; L8-F12 PolarHBondContact O-N 3.39Å |
| 9 | C | 40.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 51% | 0.507 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.1 | -36.2 | 172.3 | -85.1 | 0 | 0 | 0 | 0 | 112.2 | K5 Y6 F12 I13 | K5-C9 WeakPolarHBondContact O-CB 3.34Å; K5-C9 PolarHBondContact O-N 3.25Å; Y6-C9 PolarHBondContact O-N 3.27Å; C9-F12 PolarHBondContact O-N 3.34Å; C9-I13 VanDerWaalsContact O-CB 3.29Å; C9-I13 WeakPolarHBondContact O-CB 3.24Å; C9-I13 WeakPolarHBondContact O-CD1 3.01Å; C9-I13 WeakPolarHBondContact O-CG1 3.48Å; C9-I13 PolarHBondContact O-N 2.89Å |
| 10 | L | 39.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 56% | 0.555 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.7 | -41.7 | 176.5 | -131.6 | 91.4 | 0 | 0 | 0 | 111.3 | Y6 L7 I13 L14 | Y6-L10 WeakPolarHBondContact O-CB 3.18Å; Y6-L10 PolarHBondContact O-N 3.2Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-I13 PolarHBondContact O-N 3.09Å; L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.14Å; L10-L14 WeakPolarHBondContact O-CD1 2.94Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.15Å |
| 11 | E | 36.1 | Very low | 38.7 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 54% | 0.542 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.6 | -41.5 | 171.5 | -83.9 | -171.7 | 158.3 | 0 | 0 | 111 | L7 L14 L15 | L7-E11 WeakPolarHBondContact O-CB 3.16Å; L7-E11 PolarHBondContact O-N 3.4Å; E11-L14 PolarHBondContact O-N 2.8Å; E11-L15 WeakPolarHBondContact O-CB 3.4Å; E11-L15 VanDerWaalsContact O-CD1 3.23Å; E11-L15 WeakPolarHBondContact O-CD1 3.29Å; E11-L15 PolarHBondContact O-N 2.74Å |
| 12 | F | 39.7 | Very low | 39.4 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 64% | 0.64 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.4 | -38.4 | 176.5 | -154.1 | -97.1 | 0 | 0 | 0 | 112.1 | L8 C9 L16 | L8-F12 WeakPolarHBondContact O-CB 3.42Å; L8-F12 PolarHBondContact O-N 3.39Å; C9-F12 PolarHBondContact O-N 3.34Å; F12-L16 HydrophobicContact CD1-CD1 3.67Å; F12-L16 HydrophobicContact CE1-CD1 3.88Å; F12-L16 WeakPolarHBondContact O-CB 2.99Å; F12-L16 WeakPolarHBondContact O-CD1 3.38Å; F12-L16 WeakPolarHBondContact O-CG 3.34Å; F12-L16 PolarHBondContact O-N 3.24Å |
| 13 | I | 41.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.6 | -30.6 | 175.8 | -68.6 | 164.4 | 0 | 0 | 0 | 111.7 | C9 L10 | C9-I13 VanDerWaalsContact O-CB 3.29Å; C9-I13 WeakPolarHBondContact O-CB 3.24Å; C9-I13 WeakPolarHBondContact O-CD1 3.01Å; C9-I13 WeakPolarHBondContact O-CG1 3.48Å; C9-I13 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 3.09Å |
| 14 | L | 36.6 | Very low | 43.6 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -77.7 | -34.3 | 173.9 | -80.7 | 158.3 | 0 | 0 | 0 | 112.2 | L10 E11 L16 K17 | L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 VanDerWaalsContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CB 3.14Å; L10-L14 WeakPolarHBondContact O-CD1 2.94Å; L10-L14 WeakPolarHBondContact O-CG 3.39Å; L10-L14 PolarHBondContact O-N 3.15Å; E11-L14 PolarHBondContact O-N 2.8Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L14-K17 PolarHBondContact O-N 2.58Å |
| 15 | L | 32 | Very low | 46.1 | Very low | 116 Ų | 116 | 104 Ų | 104 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 169.2 | -98.7 | 112.8 | 0 | 0 | 0 | 111.6 | E11 K17 G18 | E11-L15 WeakPolarHBondContact O-CB 3.4Å; E11-L15 VanDerWaalsContact O-CD1 3.23Å; E11-L15 WeakPolarHBondContact O-CD1 3.29Å; E11-L15 PolarHBondContact O-N 2.74Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.24Å; L15-G18 PolarHBondContact O-N 2.89Å |
| 16 | L | 32.3 | Very low | 48.2 | Very low | 106 Ų | 106 | 97.8 Ų | 97.8 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.2 | -20.6 | 178.2 | -85.7 | 158.8 | 0 | 0 | 0 | 114.3 | F12 L14 G18 | F12-L16 HydrophobicContact CD1-CD1 3.67Å; F12-L16 HydrophobicContact CE1-CD1 3.88Å; F12-L16 WeakPolarHBondContact O-CB 2.99Å; F12-L16 WeakPolarHBondContact O-CD1 3.38Å; F12-L16 WeakPolarHBondContact O-CG 3.34Å; F12-L16 PolarHBondContact O-N 3.24Å; L14-L16 VanDerWaalsContact C-N 3.34Å; L16-G18 VanDerWaalsContact C-N 3.32Å |
| 17 | K | 31.6 | Very low | 50.3 | Low | 184 Ų | 184 | 92.2 Ų | 92.2 | 80% | 0.8 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -9.3 | 176.4 | -77.8 | -170.1 | 176.7 | -174.3 | 0 | 114.1 | L14 L15 | L14-K17 PolarHBondContact O-N 2.58Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.24Å |
| 18 | G | 33.2 | Very low | 52.3 | Low | 69 Ų | 69 | 91.7 Ų | 91.7 | 71% | 0.711 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 5.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L15 L16 | L15-G18 PolarHBondContact O-N 2.89Å; L16-G18 VanDerWaalsContact C-N 3.32Å |
| 19 | L | 34.3 | Very low | 54.4 | Low | 129 Ų | 129 | 89.8 Ų | 89.8 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -127.6 | 25.1 | -167.7 | -88.8 | 160.3 | 0 | 0 | 0 | 114.5 | ||
| 20 | C | 37 | Very low | 56.8 | Low | 110 Ų | 110 | 87.7 Ų | 87.7 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | trans | -142.4 | 83.4 | 173.3 | -93.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 21 | R | 47.9 | Very low | 59.3 | Low | 151 Ų | 151 | 84.7 Ų | 84.7 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | trans | -134.3 | 69.3 | 149.7 | -67.5 | -167.3 | -175.6 | -176.5 | 2.5 | 106.9 | F23 C595 K596 | R21-F23 PolarHBondContact O-N 2.97Å; R21-C595 WeakPolarHBondContact CD-O 3.05Å; R21-C595 PolarHBondContact NH1-O 2.87Å; R21-K596 WeakPolarHBondContact CB-O 3.18Å | ||
| 22 | C | 56.1 | Low | 61.9 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 76% | 0.764 | 43% | 0.431 | S | S | * | . | trans | -79.5 | 115.2 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 23 | F | 73.9 | Confident | 64.4 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 8% | 0.075 | 40% | 0.401 | C | S | . | . | trans | -115.8 | 173.1 | 165.3 | 176 | -102.6 | 0 | 0 | 0 | 108.7 | R21 I25 L559 N560 V583 H585 Q597 I645 | R21-F23 PolarHBondContact O-N 2.97Å; F23-I25 PolarHBondContact O-N 3.17Å; F23-L559 HydrophobicContact CE1-CB 3.96Å; F23-L559 HydrophobicContact CZ-CB 4.22Å; F23-N560 HydrophobicContact CE2-CB 3.52Å; F23-N560 HydrophobicContact CZ-CB 3.43Å; F23-N560 VanDerWaalsContact CZ-CB 3.43Å; F23-V583 HydrophobicContact CD1-CG1 4.19Å; F23-V583 HydrophobicContact CE1-CG1 4.32Å; F23-H585 AromaticContact CD1-CE1 3.83Å; F23-H585 AromaticContact CD1-NE2 3.85Å; F23-H585 AromaticContact CD2-NE2 3.42Å; F23-H585 WeakPolarHBondContact CD2-NE2 3.35Å; F23-H585 AromaticContact CE1-CE1 3.3Å; F23-H585 WeakPolarHBondContact CE1-CE1 3.34Å; F23-H585 AromaticContact CE1-NE2 3.66Å; F23-H585 AromaticContact CE2-CE1 3.62Å; F23-H585 AromaticContact CE2-NE2 3.24Å; F23-H585 WeakPolarHBondContact CE2-NE2 3.44Å; F23-H585 AromaticContact CG-NE2 3.75Å; F23-H585 AromaticContact CZ-CE1 3.22Å; F23-H585 WeakPolarHBondContact CZ-CE1 3.3Å; F23-H585 AromaticContact CZ-NE2 3.39Å; F23-H585 WeakPolarHBondContact CZ-NE2 3.29Å; F23-Q597 HydrophobicContact CB-CB 3.91Å; F23-Q597 HydrophobicContact CB-CG 4.08Å; F23-Q597 HydrophobicContact CD1-CB 4.46Å; F23-Q597 PolarHBondContact O-NE2 3.37Å; F23-Q597 PolarHBondContact O-OE1 2.87Å; F23-I645 HydrophobicContact CE2-CD1 4.09Å; F23-I645 HydrophobicContact CZ-CD1 4.34Å | ||
| 24 | N | 88.3 | Confident | 66.8 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -70.7 | -0.3 | -151.8 | 79.3 | -26.1 | 0 | 0 | 0 | 116.4 | D26 L559 S642 R643 I645 V769 | N24-D26 PolarHBondContact O-N 2.93Å; N24-L559 PolarHBondContact ND2-O 2.86Å; N24-S642 CarbonylContact O-C 3.52Å; N24-R643 WeakPolarHBondContact CB-O 3.32Å; N24-R643 PolarHBondContact ND2-O 2.8Å; N24-R643 VanDerWaalsContact ND2-O 3.13Å; N24-R643 WeakPolarHBondContact O-CB 3.49Å; N24-R643 WeakPolarHBondContact O-CG 3.32Å; N24-R643 PolarHBondContact O-N 3.22Å; N24-I645 HydrophobicContact CB-CD1 4.03Å; N24-I645 HydrophobicContact CB-CG1 3.88Å; N24-V769 HydrophobicContact CB-CG2 3.61Å |
| 25 | I | 91.4 | Very high | 69.5 | Low | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 127.7 | 176.1 | -52.5 | -56.6 | 0 | 0 | 0 | 110.2 | F23 V27 L559 Q597 I599 L629 L640 S642 | F23-I25 PolarHBondContact O-N 3.17Å; I25-V27 PolarHBondContact O-N 3.23Å; I25-L559 HydrophobicContact CD1-CD2 4.37Å; I25-Q597 VanDerWaalsContact CB-OE1 3.32Å; I25-Q597 PolarHBondContact O-NE2 3.05Å; I25-I599 HydrophobicContact CB-CD1 3.97Å; I25-I599 HydrophobicContact CG2-CD1 3.8Å; I25-L629 HydrophobicContact CD1-CD1 3.83Å; I25-L629 HydrophobicContact CD1-CG 4.04Å; I25-L629 HydrophobicContact CG1-CD1 3.85Å; I25-L629 HydrophobicContact CG2-CD1 4.12Å; I25-L640 HydrophobicContact CG2-CB 3.54Å; I25-L640 HydrophobicContact CG2-CD1 4.01Å; I25-L640 HydrophobicContact CG2-CG 4.35Å; I25-S642 VanDerWaalsContact CD1-OG 3.29Å; I25-S642 WeakPolarHBondContact CD1-OG 3.23Å |
| 26 | D | 89.2 | Confident | 72.4 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | trans | -75.6 | 104.3 | 179 | -169.3 | 9.7 | 0 | 0 | 0 | 112 | N24 K28 H29 S641 R643 | N24-D26 PolarHBondContact O-N 2.93Å; D26-K28 WeakPolarHBondContact OD1-CB 3.38Å; D26-K28 PolarHBondContact OD1-N 3.47Å; D26-H29 IonicContact OD1-ND1 2.87Å; D26-H29 WeakPolarHBondContact OD2-CB 3.45Å; D26-H29 IonicContact OD2-CG 2.64Å; D26-H29 IonicContact OD2-ND1 2.69Å; D26-H29 PolarHBondContact OD2-ND1 2.86Å; D26-S641 PolarHBondContact N-O 3.25Å; D26-R643 HydrophobicContact CB-CG 3.94Å | ||
| 27 | V | 89.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -88.3 | -8.9 | 174.6 | -60.7 | 0 | 0 | 0 | 0 | 113.4 | I25 I599 L604 | I25-V27 PolarHBondContact O-N 3.23Å; V27-I599 HydrophobicContact CG1-CB 4.33Å; V27-I599 HydrophobicContact CG1-CD1 3.81Å; V27-I599 HydrophobicContact CG1-CG1 3.78Å; V27-I599 HydrophobicContact CG1-CG2 3.69Å; V27-L604 HydrophobicContact CB-CD2 3.78Å; V27-L604 HydrophobicContact CG1-CD2 4.2Å; V27-L604 VanDerWaalsContact O-CD2 3.3Å; V27-L604 WeakPolarHBondContact O-CD2 3.31Å |
| 28 | K | 86.4 | Confident | 78 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -88.4 | -28.7 | -176 | -67 | -172.8 | 177.5 | -177.2 | 0 | 112.9 | D26 P30 T764 E765 | D26-K28 WeakPolarHBondContact OD1-CB 3.38Å; D26-K28 PolarHBondContact OD1-N 3.47Å; K28-P30 WeakPolarHBondContact O-CD 3.42Å; K28-T764 PolarHBondContact NZ-OG1 3.19Å; K28-T764 VanDerWaalsContact NZ-OG1 3.16Å; K28-E765 HydrophobicContact CD-CB 4.48Å; K28-E765 HydrophobicContact CD-CG 3.89Å; K28-E765 IonicContact NZ-OE1 2.62Å |
| 29 | H | 87.1 | Confident | 80.9 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 30% | 0.296 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -123.3 | 53.8 | -179.7 | -48.5 | 103.4 | 0 | 0 | 0 | 113.3 | D26 E765 | D26-H29 IonicContact OD1-ND1 2.87Å; D26-H29 WeakPolarHBondContact OD2-CB 3.45Å; D26-H29 IonicContact OD2-CG 2.64Å; D26-H29 IonicContact OD2-ND1 2.69Å; D26-H29 PolarHBondContact OD2-ND1 2.86Å; H29-E765 PolarHBondContact CE1-O 3.21Å; H29-E765 VanDerWaalsContact CE1-O 3.25Å |
| 30 | P | 90.2 | Very high | 83.7 | Confident | 31 Ų | 31 | 55 Ų | 55 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | trans | -63 | 141.6 | 176.5 | 30.2 | -35.8 | 0 | 0 | 0 | 110.6 | K28 V32 L604 V638 L640 | K28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-V32 HydrophobicContact CB-CG2 4.32Å; P30-V32 HydrophobicContact CG-CG2 4.5Å; P30-L604 HydrophobicContact CB-CD2 4.3Å; P30-L604 HydrophobicContact CG-CB 4.22Å; P30-L604 HydrophobicContact CG-CD2 4.22Å; P30-V638 HydrophobicContact CB-CG1 4.02Å; P30-L640 HydrophobicContact CB-CD2 3.72Å | ||
| 31 | R | 90.9 | Very high | 86.6 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.7 | 165.7 | -49.4 | -171.7 | -169.4 | -166.8 | 3.4 | 108.3 | F33 G79 V638 L639 | R31-F33 HydrophobicContact CB-CE2 4.25Å; R31-G79 PolarHBondContact NH1-O 2.89Å; R31-V638 CarbonylContact O-C 3.34Å; R31-V638 WeakPolarHBondContact O-CA 3.35Å; R31-L639 HydrophobicContact CB-CB 4.2Å; R31-L639 PolarHBondContact N-O 3.41Å; R31-L639 PolarHBondContact O-N 2.99Å |
| 32 | V | 92 | Very high | 88.9 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.9 | -176 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | P30 V638 | P30-V32 HydrophobicContact CB-CG2 4.32Å; P30-V32 HydrophobicContact CG-CG2 4.5Å; V32-V638 HydrophobicContact CG1-CG2 4.41Å; V32-V638 HydrophobicContact CG2-CG1 4.34Å; V32-V638 HydrophobicContact CG2-CG2 4.27Å |
| 33 | F | 92.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140.1 | 176 | -62.7 | -87.5 | 0 | 0 | 0 | 110.8 | R31 M56 C76 V78 S84 R636 A637 L639 | R31-F33 HydrophobicContact CB-CE2 4.25Å; F33-M56 HydrophobicContact CE2-CE 4.41Å; F33-C76 HydrophobicContact CD1-CB 3.63Å; F33-C76 HydrophobicContact CE1-CB 3.78Å; F33-C76 HydrophobicContact CG-CB 4.06Å; F33-C76 HydrophobicContact CZ-CB 4.39Å; F33-V78 HydrophobicContact CZ-CG2 4.21Å; F33-S84 WeakPolarHBondContact CD1-O 3.35Å; F33-S84 WeakPolarHBondContact CE1-OG 3.44Å; F33-R636 VanDerWaalsContact O-CA 3.26Å; F33-R636 WeakPolarHBondContact O-CA 3.43Å; F33-R636 WeakPolarHBondContact O-CD 3.44Å; F33-A637 HydrophobicContact CB-CB 4.31Å; F33-A637 WeakPolarHBondContact CB-O 3.42Å; F33-A637 PolarHBondContact N-O 2.8Å; F33-A637 PolarHBondContact O-N 2.99Å; F33-L639 HydrophobicContact CE2-CB 4.11Å |
| 34 | T | 91.9 | Very high | 92 | Very high | 67 Ų | 67 | 38.7 Ų | 38.7 | 41% | 0.411 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.3 | -175.5 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | R636 | T34-R636 VanDerWaalsContact CG2-NH1 3.29Å |
| 35 | G | 91.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 19% | 0.186 | 21% | 0.209 | C | C | . | . | trans | -136.3 | -177.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E37 G635 | G35-E37 PolarHBondContact O-N 2.93Å; G35-G635 PolarHBondContact N-O 2.83Å; G35-G635 VanDerWaalsContact N-O 3.08Å | ||
| 36 | P | 92.5 | Very high | 92.6 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -67.6 | 124.6 | -179.1 | -15.2 | 28.9 | 0 | 0 | 0 | 111.6 | A39 F41 | P36-A39 HydrophobicContact CB-CB 3.87Å; P36-A39 HydrophobicContact CG-CB 4.46Å; P36-A39 PolarHBondContact O-N 2.85Å; P36-F41 VanDerWaalsContact O-CB 3.3Å; P36-F41 WeakPolarHBondContact O-CB 3.2Å; P36-F41 PolarHBondContact O-N 2.78Å | ||
| 37 | E | 90.6 | Very high | 92.9 | Very high | 113 Ų | 113 | 38.9 Ų | 38.9 | 53% | 0.528 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -40 | -176.1 | -163 | -174.9 | 157.6 | 0 | 0 | 112.3 | G35 A39 Q40 Q634 | G35-E37 PolarHBondContact O-N 2.93Å; E37-A39 PolarHBondContact O-N 2.8Å; E37-Q40 PolarHBondContact O-N 2.91Å; E37-Q634 HydrophobicContact CG-CG 3.72Å; E37-Q634 PolarHBondContact OE1-NE2 3.05Å |
| 38 | D | 91.7 | Very high | 93 | Very high | 100 Ų | 100 | 37 Ų | 37 | 54% | 0.535 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.7 | 178.6 | 72.7 | -56.5 | 0 | 0 | 0 | 112.7 | Q40 W62 R69 | D38-Q40 PolarHBondContact O-N 2.9Å; D38-W62 WeakPolarHBondContact O-CB 3.33Å; D38-R69 IonicContact OD2-CZ 2.95Å; D38-R69 IonicContact OD2-NH1 3.24Å; D38-R69 PolarHBondContact OD2-NH1 2.85Å; D38-R69 IonicContact OD2-NH2 3.35Å; D38-R69 PolarHBondContact OD2-NH2 2.99Å |
| 39 | A | 93.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P36 E37 F41 A60 W62 D63 | P36-A39 HydrophobicContact CB-CB 3.87Å; P36-A39 HydrophobicContact CG-CB 4.46Å; P36-A39 PolarHBondContact O-N 2.85Å; E37-A39 PolarHBondContact O-N 2.8Å; A39-F41 PolarHBondContact O-N 2.78Å; A39-A60 HydrophobicContact CB-CB 4.1Å; A39-A60 CarbonylContact O-C 3.58Å; A39-A60 VanDerWaalsContact O-C 3.23Å; A39-A60 WeakPolarHBondContact O-CA 3.02Å; A39-W62 VanDerWaalsContact CA-C 3.5Å; A39-W62 PolarHBondContact O-N 2.8Å; A39-D63 HydrophobicContact CB-CB 3.99Å |
| 40 | Q | 94.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 34.4 Ų | 34.4 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36.1 | -170.4 | -58.6 | -165.3 | 4.4 | 0 | 0 | 113.3 | E37 D38 G42 F43 W62 | E37-Q40 PolarHBondContact O-N 2.91Å; D38-Q40 PolarHBondContact O-N 2.9Å; Q40-G42 PolarHBondContact O-N 2.79Å; Q40-F43 WeakPolarHBondContact O-CB 3.33Å; Q40-F43 PolarHBondContact O-N 3.46Å; Q40-F43 VanDerWaalsContact O-N 3.13Å; Q40-W62 HydrophobicContact CB-CE3 4.32Å; Q40-W62 HydrophobicContact CG-CB 4.21Å; Q40-W62 HydrophobicContact CG-CD2 4.22Å; Q40-W62 HydrophobicContact CG-CE3 4.07Å; Q40-W62 HydrophobicContact CG-CG 4.29Å |
| 41 | F | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 133.8 | 173.5 | 177.7 | -82.8 | 0 | 0 | 0 | 110.7 | P36 A39 V58 A60 Y74 C86 G635 A637 | P36-F41 VanDerWaalsContact O-CB 3.3Å; P36-F41 WeakPolarHBondContact O-CB 3.2Å; P36-F41 PolarHBondContact O-N 2.78Å; A39-F41 PolarHBondContact O-N 2.78Å; F41-V58 HydrophobicContact CD1-CG1 3.97Å; F41-V58 HydrophobicContact CD2-CB 4.44Å; F41-V58 HydrophobicContact CD2-CG1 3.94Å; F41-V58 HydrophobicContact CE1-CB 4.41Å; F41-V58 HydrophobicContact CE1-CG1 3.74Å; F41-V58 HydrophobicContact CE2-CB 3.83Å; F41-V58 HydrophobicContact CE2-CG1 3.72Å; F41-V58 HydrophobicContact CE2-CG2 4.43Å; F41-V58 HydrophobicContact CG-CG1 4.07Å; F41-V58 HydrophobicContact CZ-CB 3.8Å; F41-V58 HydrophobicContact CZ-CG1 3.6Å; F41-V58 HydrophobicContact CZ-CG2 3.95Å; F41-A60 HydrophobicContact CB-CB 4.32Å; F41-Y74 HydrophobicContact CD2-CD1 4.4Å; F41-Y74 AromaticContact CD2-CD2 3.93Å; F41-Y74 HydrophobicContact CD2-CD2 3.93Å; F41-Y74 HydrophobicContact CD2-CE2 4.41Å; F41-Y74 AromaticContact CD2-CG 3.94Å; F41-Y74 HydrophobicContact CD2-CG 3.94Å; F41-Y74 HydrophobicContact CE2-CD1 4.14Å; F41-Y74 HydrophobicContact CE2-CD2 4.19Å; F41-Y74 AromaticContact CE2-CG 3.73Å; F41-Y74 HydrophobicContact CE2-CG 3.73Å; F41-C86 HydrophobicContact CE2-CB 4.24Å; F41-C86 HydrophobicContact CZ-CB 4.24Å; F41-G635 WeakPolarHBondContact O-CA 3.49Å; F41-G635 PolarHBondContact O-N 2.87Å; F41-A637 HydrophobicContact CE1-CB 3.96Å; F41-A637 HydrophobicContact CZ-CB 4.47Å |
| 42 | G | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 12.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q40 G59 R613 S614 G632 A633 | Q40-G42 PolarHBondContact O-N 2.79Å; G42-G59 PolarHBondContact N-O 2.81Å; G42-R613 VanDerWaalsContact O-CD 3.23Å; G42-R613 WeakPolarHBondContact O-CD 3.3Å; G42-R613 WeakPolarHBondContact O-CG 3.33Å; G42-S614 PolarHBondContact O-OG 3.06Å; G42-G632 WeakPolarHBondContact O-CA 3.23Å; G42-A633 WeakPolarHBondContact CA-O 3.14Å |
| 43 | F | 97.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -59.6 | -54.5 | 176.9 | -169.6 | -74.7 | 0 | 0 | 0 | 111.3 | Q40 G59 P61 W62 M110 R613 S614 | Q40-F43 WeakPolarHBondContact O-CB 3.33Å; Q40-F43 PolarHBondContact O-N 3.46Å; Q40-F43 VanDerWaalsContact O-N 3.13Å; F43-G59 PolarHBondContact N-O 3.3Å; F43-P61 VanDerWaalsContact CB-CD 3.41Å; F43-P61 HydrophobicContact CB-CG 3.65Å; F43-P61 HydrophobicContact CD1-CG 4.09Å; F43-P61 HydrophobicContact CD2-CG 3.51Å; F43-P61 HydrophobicContact CE2-CG 4.29Å; F43-P61 HydrophobicContact CG-CG 3.47Å; F43-P61 VanDerWaalsContact CG-CG 3.47Å; F43-W62 HydrophobicContact CD2-CZ3 4.41Å; F43-W62 HydrophobicContact CE2-CZ3 4.26Å; F43-M110 HydrophobicContact CD1-CG 4.22Å; F43-M110 WeakPolarHBondContact CD1-O 3.45Å; F43-M110 HydrophobicContact CE1-CB 4.39Å; F43-M110 HydrophobicContact CE1-CG 3.52Å; F43-M110 WeakPolarHBondContact CE1-O 3.45Å; F43-M110 HydrophobicContact CZ-CE 4.06Å; F43-M110 HydrophobicContact CZ-CG 3.8Å; F43-R613 VanDerWaalsContact CA-CZ 3.45Å; F43-R613 VanDerWaalsContact CE2-NH2 3.34Å; F43-S614 VanDerWaalsContact O-CB 3.27Å; F43-S614 WeakPolarHBondContact O-CB 3.17Å; F43-S614 PolarHBondContact O-OG 2.81Å |
| 44 | S | 97.3 | Very high | 92 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -123.3 | 147.7 | 174.1 | 58 | 0 | 0 | 0 | 0 | 108.4 | V58 G59 G109 L112 | S44-V58 WeakPolarHBondContact O-CA 3.43Å; S44-G59 PolarHBondContact O-N 3.3Å; S44-G59 WeakPolarHBondContact OG-CA 3.32Å; S44-G109 PolarHBondContact OG-O 2.84Å; S44-L112 WeakPolarHBondContact OG-CD1 3.41Å; S44-L112 WeakPolarHBondContact OG-CG 3.5Å |
| 45 | V | 97.2 | Very high | 92 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 139.7 | 175.8 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | M56 L57 V58 A630 A637 | V45-M56 HydrophobicContact CB-SD 4.43Å; V45-M56 HydrophobicContact CG1-SD 4.32Å; V45-L57 WeakPolarHBondContact CA-O 3.47Å; V45-V58 HydrophobicContact CG1-CG1 4.42Å; V45-V58 HydrophobicContact CG1-CG2 4.42Å; V45-A630 HydrophobicContact CG2-CB 4.41Å; V45-A637 HydrophobicContact CG1-CB 4.35Å |
| 46 | L | 95.8 | Very high | 92 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128 | 177.9 | 177.8 | 62.9 | 0 | 0 | 0 | 108.9 | L57 L112 P114 F120 | L46-L57 HydrophobicContact CB-CB 4.35Å; L46-L57 HydrophobicContact CD2-CD1 4.41Å; L46-L57 PolarHBondContact N-O 3.13Å; L46-L57 PolarHBondContact O-N 3.26Å; L46-L112 HydrophobicContact CB-CB 4.25Å; L46-L112 HydrophobicContact CB-CD1 4.47Å; L46-L112 HydrophobicContact CD2-CB 4.38Å; L46-P114 HydrophobicContact CD1-CB 4.47Å; L46-F120 HydrophobicContact CD2-CB 3.86Å |
| 47 | Q | 94.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.9 | 171.6 | -62.7 | 170.8 | -65.6 | 0 | 0 | 109.3 | S616 L619 L621 D628 A630 | Q47-S616 PolarHBondContact N-OG 2.68Å; Q47-S616 VanDerWaalsContact OE1-C 3.31Å; Q47-S616 PolarHBondContact OE1-O 3.09Å; Q47-S616 PolarHBondContact OE1-OG 2.93Å; Q47-S616 VanDerWaalsContact OE1-OG 3.09Å; Q47-L619 HydrophobicContact CB-CB 4.24Å; Q47-L619 HydrophobicContact CB-CD1 4.06Å; Q47-L619 HydrophobicContact CB-CG 4.31Å; Q47-L619 PolarHBondContact NE2-O 2.8Å; Q47-L621 HydrophobicContact CB-CD1 4.15Å; Q47-L621 HydrophobicContact CB-CD2 4.34Å; Q47-L621 HydrophobicContact CB-CG 4.47Å; Q47-L621 HydrophobicContact CG-CD1 3.65Å; Q47-L621 HydrophobicContact CG-CG 4.29Å; Q47-D628 PolarHBondContact NE2-O 2.88Å; Q47-A630 HydrophobicContact CG-CB 3.63Å |
| 48 | H | 92.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 136.2 | -172.1 | -176 | 67.7 | 0 | 0 | 0 | 110.8 | S55 L57 D146 | H48-S55 PolarHBondContact N-O 3.02Å; H48-S55 PolarHBondContact O-N 3.46Å; H48-S55 PolarHBondContact O-OG 2.77Å; H48-L57 HydrophobicContact CB-CD1 3.81Å; H48-L57 HydrophobicContact CB-CG 3.8Å; H48-D146 IonicContact CE1-OD1 2.81Å; H48-D146 PolarHBondContact CE1-OD1 3.03Å; H48-D146 VanDerWaalsContact CE1-OD1 3.22Å; H48-D146 IonicContact NE2-OD1 3.44Å |
| 49 | E | 89.7 | Confident | 92.8 | Very high | 93 Ų | 93 | 30.5 Ų | 30.5 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.2 | 176.3 | -178.7 | 178 | 177.7 | 0 | 0 | 108.5 | E53 K54 L619 | E49-E53 WeakPolarHBondContact CA-O 3.35Å; E49-K54 HydrophobicContact CG-CG 4.25Å; E49-L619 HydrophobicContact CB-CD1 4.15Å |
| 50 | A | 87.3 | Confident | 93 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 125.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G52 E53 D146 | A50-G52 PolarHBondContact O-N 2.04Å; A50-E53 PolarHBondContact N-O 3.32Å; A50-E53 VanDerWaalsContact N-O 3.11Å; A50-E53 WeakPolarHBondContact O-CB 3.13Å; A50-E53 PolarHBondContact O-N 3.2Å; A50-D146 HydrophobicContact CB-CB 3.71Å |
| 51 | E | 82.6 | Confident | 93 | Very high | 208 Ų | 208 | 27.6 Ų | 27.6 | 97% | 0.972 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 29 | -178.3 | -56.6 | -171.4 | 164.4 | 0 | 0 | 114.3 | E53 | E51-E53 VanDerWaalsContact C-N 3.31Š|
| 52 | G | 80.7 | Confident | 92.8 | Very high | 56 Ų | 56 | 31.1 Ų | 31.1 | 58% | 0.577 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A50 | A50-G52 PolarHBondContact O-N 2.04Š|
| 53 | E | 87.2 | Confident | 92.7 | Very high | 87 Ų | 87 | 32 Ų | 32 | 41% | 0.407 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 116.1 | 168.6 | -171.9 | 178.5 | 85.8 | 0 | 0 | 110.1 | E49 A50 E51 K75 V77 | E49-E53 WeakPolarHBondContact CA-O 3.35Å; A50-E53 PolarHBondContact N-O 3.32Å; A50-E53 VanDerWaalsContact N-O 3.11Å; A50-E53 WeakPolarHBondContact O-CB 3.13Å; A50-E53 PolarHBondContact O-N 3.2Å; E51-E53 VanDerWaalsContact C-N 3.31Å; E53-K75 VanDerWaalsContact OE1-CE 3.26Å; E53-K75 WeakPolarHBondContact OE1-CE 3.25Å; E53-K75 IonicContact OE1-NZ 2.65Å; E53-K75 PolarHBondContact OE1-NZ 3.18Å; E53-V77 HydrophobicContact CG-CG1 4.13Å |
| 54 | K | 89.8 | Confident | 92.2 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 17% | 0.17 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.2 | 177.8 | -66.8 | 172 | 170.3 | -156.2 | 0 | 110.2 | E49 V78 D620 L621 | E49-K54 HydrophobicContact CG-CG 4.25Å; K54-V78 PolarHBondContact O-N 2.83Å; K54-D620 VanDerWaalsContact CD-O 3.29Å; K54-D620 WeakPolarHBondContact CD-O 3.25Å; K54-D620 WeakPolarHBondContact CE-O 3.42Å; K54-D620 PolarHBondContact NZ-O 2.96Å; K54-D620 IonicContact NZ-OD1 3.35Å; K54-D620 PolarHBondContact NZ-OD1 2.95Å; K54-D620 VanDerWaalsContact NZ-OD1 3.13Å; K54-D620 IonicContact NZ-OD2 2.91Å; K54-D620 PolarHBondContact NZ-OD2 3.17Å; K54-L621 HydrophobicContact CB-CD2 3.94Å; K54-L621 WeakPolarHBondContact CD-O 3.39Å |
| 55 | S | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 164.4 | -176.8 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | H48 C76 | H48-S55 PolarHBondContact N-O 3.02Å; H48-S55 PolarHBondContact O-N 3.46Å; H48-S55 PolarHBondContact O-OG 2.77Å; S55-C76 CarbonylContact C-O 3.48Å; S55-C76 WeakPolarHBondContact CA-O 3.47Å; S55-C76 WeakPolarHBondContact CB-O 3.35Å |
| 56 | M | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.5 | 171 | -172.7 | -175.9 | -52.7 | 0 | 0 | 108.9 | F33 V45 V58 C76 A630 A637 L639 | F33-M56 HydrophobicContact CE2-CE 4.41Å; V45-M56 HydrophobicContact CB-SD 4.43Å; V45-M56 HydrophobicContact CG1-SD 4.32Å; M56-V58 HydrophobicContact CG-CG2 4Å; M56-V58 HydrophobicContact SD-CG2 4.15Å; M56-C76 HydrophobicContact CB-CB 4.23Å; M56-C76 PolarHBondContact N-O 3.05Å; M56-C76 WeakPolarHBondContact O-CB 3.46Å; M56-C76 PolarHBondContact O-N 2.6Å; M56-A630 HydrophobicContact CE-CB 3.4Å; M56-A630 HydrophobicContact CG-CB 4.21Å; M56-A630 HydrophobicContact SD-CB 3.83Å; M56-A637 HydrophobicContact SD-CB 3.8Å; M56-L639 HydrophobicContact CE-CB 3.93Å; M56-L639 HydrophobicContact CE-CD1 3.98Å |
| 57 | L | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.6 | 169.9 | -59.5 | 176.7 | 0 | 0 | 0 | 108.7 | V45 L46 H48 V73 Y74 K75 L112 F120 L148 | V45-L57 WeakPolarHBondContact CA-O 3.47Å; L46-L57 HydrophobicContact CB-CB 4.35Å; L46-L57 HydrophobicContact CD2-CD1 4.41Å; L46-L57 PolarHBondContact N-O 3.13Å; L46-L57 PolarHBondContact O-N 3.26Å; H48-L57 HydrophobicContact CB-CD1 3.81Å; H48-L57 HydrophobicContact CB-CG 3.8Å; L57-V73 HydrophobicContact CB-CG1 4.11Å; L57-V73 HydrophobicContact CD2-CG1 4.48Å; L57-Y74 CarbonylContact C-O 3.37Å; L57-Y74 WeakPolarHBondContact CA-O 3.24Å; L57-K75 HydrophobicContact CD2-CB 4.3Å; L57-K75 HydrophobicContact CD2-CG 4.23Å; L57-L112 HydrophobicContact CB-CD1 4.42Å; L57-F120 HydrophobicContact CD1-CB 4.36Å; L57-F120 HydrophobicContact CD1-CD1 3.4Å; L57-F120 HydrophobicContact CD1-CD2 4.01Å; L57-F120 HydrophobicContact CD1-CE1 3.52Å; L57-F120 HydrophobicContact CD1-CE2 4.1Å; L57-F120 HydrophobicContact CD1-CG 3.65Å; L57-F120 HydrophobicContact CD1-CZ 3.87Å; L57-L148 HydrophobicContact CD2-CD2 4.32Å |
| 58 | V | 97.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.4 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | F41 S44 V45 M56 V73 Y74 A637 | F41-V58 HydrophobicContact CD1-CG1 3.97Å; F41-V58 HydrophobicContact CD2-CB 4.44Å; F41-V58 HydrophobicContact CD2-CG1 3.94Å; F41-V58 HydrophobicContact CE1-CB 4.41Å; F41-V58 HydrophobicContact CE1-CG1 3.74Å; F41-V58 HydrophobicContact CE2-CB 3.83Å; F41-V58 HydrophobicContact CE2-CG1 3.72Å; F41-V58 HydrophobicContact CE2-CG2 4.43Å; F41-V58 HydrophobicContact CG-CG1 4.07Å; F41-V58 HydrophobicContact CZ-CB 3.8Å; F41-V58 HydrophobicContact CZ-CG1 3.6Å; F41-V58 HydrophobicContact CZ-CG2 3.95Å; S44-V58 WeakPolarHBondContact O-CA 3.43Å; V45-V58 HydrophobicContact CG1-CG1 4.42Å; V45-V58 HydrophobicContact CG1-CG2 4.42Å; M56-V58 HydrophobicContact CG-CG2 4Å; M56-V58 HydrophobicContact SD-CG2 4.15Å; V58-V73 WeakPolarHBondContact O-CA 3.3Å; V58-Y74 PolarHBondContact N-O 3.31Å; V58-Y74 PolarHBondContact O-N 2.92Å; V58-A637 HydrophobicContact CG1-CB 4.31Å; V58-A637 HydrophobicContact CG2-CB 3.79Å |
| 59 | G | 97.4 | Very high | 89 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G42 F43 S44 G109 | G42-G59 PolarHBondContact N-O 2.81Å; F43-G59 PolarHBondContact N-O 3.3Å; S44-G59 PolarHBondContact O-N 3.3Å; S44-G59 WeakPolarHBondContact OG-CA 3.32Å; G59-G109 WeakPolarHBondContact CA-O 3.41Å |
| 60 | A | 96.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 73.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A39 F41 W62 D63 G71 D72 Y74 | A39-A60 HydrophobicContact CB-CB 4.1Å; A39-A60 CarbonylContact O-C 3.58Å; A39-A60 VanDerWaalsContact O-C 3.23Å; A39-A60 WeakPolarHBondContact O-CA 3.02Å; F41-A60 HydrophobicContact CB-CB 4.32Å; A60-W62 PolarHBondContact O-N 2.99Å; A60-W62 VanDerWaalsContact O-N 3.09Å; A60-D63 HydrophobicContact CB-CB 4.29Å; A60-D63 VanDerWaalsContact O-CB 3.29Å; A60-D63 WeakPolarHBondContact O-CB 3.29Å; A60-D63 PolarHBondContact O-N 3.44Å; A60-G71 WeakPolarHBondContact O-CA 3.5Å; A60-D72 PolarHBondContact N-O 2.93Å; A60-D72 PolarHBondContact O-N 2.8Å; A60-D72 VanDerWaalsContact O-N 3.12Å; A60-Y74 HydrophobicContact CB-CD2 3.85Å; A60-Y74 HydrophobicContact CB-CE2 3.64Å |
| 61 | P | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.3 | -172.3 | 16.7 | -24.5 | 0 | 0 | 0 | 114.6 | F43 G71 H107 L108 M110 | F43-P61 VanDerWaalsContact CB-CD 3.41Å; F43-P61 HydrophobicContact CB-CG 3.65Å; F43-P61 HydrophobicContact CD1-CG 4.09Å; F43-P61 HydrophobicContact CD2-CG 3.51Å; F43-P61 HydrophobicContact CE2-CG 4.29Å; F43-P61 HydrophobicContact CG-CG 3.47Å; F43-P61 VanDerWaalsContact CG-CG 3.47Å; P61-G71 VanDerWaalsContact O-CA 3.31Å; P61-G71 WeakPolarHBondContact O-CA 3.44Å; P61-H107 HydrophobicContact CB-CB 3.98Å; P61-H107 VanDerWaalsContact O-CA 3.27Å; P61-H107 WeakPolarHBondContact O-CA 3.31Å; P61-H107 PolarHBondContact O-ND1 3.38Å; P61-L108 WeakPolarHBondContact CA-O 3.38Å; P61-M110 HydrophobicContact CB-CB 4.16Å; P61-M110 HydrophobicContact CG-CB 4.42Å |
| 62 | W | 93.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 36.1 Ų | 36.1 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15 | 174.6 | -85.7 | -108.6 | 0 | 0 | 0 | 112.6 | D38 A39 Q40 F43 A60 R69 H107 | D38-W62 WeakPolarHBondContact O-CB 3.33Å; A39-W62 VanDerWaalsContact CA-C 3.5Å; A39-W62 PolarHBondContact O-N 2.8Å; Q40-W62 HydrophobicContact CB-CE3 4.32Å; Q40-W62 HydrophobicContact CG-CB 4.21Å; Q40-W62 HydrophobicContact CG-CD2 4.22Å; Q40-W62 HydrophobicContact CG-CE3 4.07Å; Q40-W62 HydrophobicContact CG-CG 4.29Å; F43-W62 HydrophobicContact CD2-CZ3 4.41Å; F43-W62 HydrophobicContact CE2-CZ3 4.26Å; A60-W62 PolarHBondContact O-N 2.99Å; A60-W62 VanDerWaalsContact O-N 3.09Å; W62-R69 WeakPolarHBondContact O-CD 3.33Å; W62-R69 PolarHBondContact O-NH1 2.84Å; W62-H107 AromaticContact CD1-CE1 3.87Å; W62-H107 AromaticContact CD2-CE1 3.64Å; W62-H107 AromaticContact CD2-ND1 3.56Å; W62-H107 AromaticContact CE2-CE1 3.32Å; W62-H107 AromaticContact CE2-ND1 3.67Å; W62-H107 AromaticContact CE3-ND1 3.75Å; W62-H107 AromaticContact CG-CE1 3.97Å; W62-H107 AromaticContact CZ2-CE1 3.67Å; W62-H107 AromaticContact CZ2-ND1 3.93Å; W62-H107 AromaticContact CZ3-ND1 3.99Å; W62-H107 AromaticContact NE1-CE1 3.49Å; W62-H107 PolarHBondContact NE1-CE1 3.12Å |
| 63 | D | 93.2 | Very high | 90.4 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | trans | -64.6 | 142.4 | 173.6 | -160.6 | 97.9 | 0 | 0 | 0 | 111.7 | A39 A60 R69 K70 G71 D72 Y74 K88 | A39-D63 HydrophobicContact CB-CB 3.99Å; A60-D63 HydrophobicContact CB-CB 4.29Å; A60-D63 VanDerWaalsContact O-CB 3.29Å; A60-D63 WeakPolarHBondContact O-CB 3.29Å; A60-D63 PolarHBondContact O-N 3.44Å; D63-R69 CarbonylContact O-C 3.58Å; D63-K70 PolarHBondContact O-N 3.33Å; D63-G71 PolarHBondContact O-N 2.88Å; D63-D72 HydrophobicContact CB-CB 4.17Å; D63-Y74 PolarHBondContact OD1-OH 2.69Å; D63-K88 WeakPolarHBondContact OD2-CE 3.43Å; D63-K88 IonicContact OD2-NZ 2.83Å; D63-K88 PolarHBondContact OD2-NZ 2.92Å | ||
| 64 | G | 87.7 | Confident | 90.8 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 31% | 0.309 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 112.6 | 175 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R69 | G64-R69 PolarHBondContact O-NH1 2.78Š|
| 65 | P | 85.1 | Confident | 91.1 | Very high | 81 Ų | 81 | 29.8 Ų | 29.8 | 53% | 0.526 | 16% | 0.162 | S | C | . | . | trans | -64.9 | 153.9 | -179.5 | 27.3 | -35.5 | 0 | 0 | 0 | 112 | N67 N68 R69 | P65-N67 PolarHBondContact O-N 3.34Å; P65-N68 VanDerWaalsContact CD-O 3.3Å; P65-N68 WeakPolarHBondContact CD-O 3.49Å; P65-N68 HydrophobicContact CG-CB 4.07Å; P65-N68 CarbonylContact O-C 3.52Å; P65-N68 PolarHBondContact O-N 2.76Å; P65-R69 PolarHBondContact O-N 2.86Å | ||
| 66 | P | 79.5 | Confident | 91.1 | Very high | 95 Ų | 95 | 29.8 Ų | 29.8 | 62% | 0.617 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.3 | -177.4 | -28.9 | 34.9 | 0 | 0 | 0 | 115.6 | ||
| 67 | N | 77.6 | Confident | 90.9 | Very high | 136 Ų | 136 | 31.8 Ų | 31.8 | 73% | 0.727 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.4 | -178.1 | -59.1 | -6.6 | 0 | 0 | 0 | 113.1 | P65 | P65-N67 PolarHBondContact O-N 3.34Š|
| 68 | N | 80.9 | Confident | 90.4 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 21% | 0.214 | 18% | 0.179 | C | C | . | . | trans | -154 | 76.8 | 178.8 | -168.2 | 0.7 | 0 | 0 | 0 | 111.3 | P65 K70 L103 R104 N105 | P65-N68 VanDerWaalsContact CD-O 3.3Å; P65-N68 WeakPolarHBondContact CD-O 3.49Å; P65-N68 HydrophobicContact CG-CB 4.07Å; P65-N68 CarbonylContact O-C 3.52Å; P65-N68 PolarHBondContact O-N 2.76Å; N68-K70 PolarHBondContact O-N 2.83Å; N68-K70 VanDerWaalsContact O-N 3.12Å; N68-K70 WeakPolarHBondContact OD1-CG 3.13Å; N68-L103 PolarHBondContact ND2-O 2.8Å; N68-L103 PolarHBondContact OD1-O 3.43Å; N68-R104 WeakPolarHBondContact OD1-CA 3.47Å; N68-N105 WeakPolarHBondContact CA-OD1 3.34Å; N68-N105 PolarHBondContact OD1-N 2.85Å | ||
| 69 | R | 86.4 | Confident | 89.1 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | trans | -82.3 | 78.7 | -179.6 | -64.6 | -78.2 | -176 | -178.3 | 1.4 | 110.2 | D38 W62 D63 G64 P65 G71 N105 S106 H107 | D38-R69 IonicContact OD2-CZ 2.95Å; D38-R69 IonicContact OD2-NH1 3.24Å; D38-R69 PolarHBondContact OD2-NH1 2.85Å; D38-R69 IonicContact OD2-NH2 3.35Å; D38-R69 PolarHBondContact OD2-NH2 2.99Å; W62-R69 WeakPolarHBondContact O-CD 3.33Å; W62-R69 PolarHBondContact O-NH1 2.84Å; D63-R69 CarbonylContact O-C 3.58Å; G64-R69 PolarHBondContact O-NH1 2.78Å; P65-R69 PolarHBondContact O-N 2.86Å; R69-G71 VanDerWaalsContact C-N 3.28Å; R69-G71 PolarHBondContact O-N 2.74Å; R69-N105 PolarHBondContact N-OD1 3.34Å; R69-N105 CarbonylContact O-C 3.51Å; R69-N105 VanDerWaalsContact O-CA 3.25Å; R69-N105 WeakPolarHBondContact O-CA 3.37Å; R69-S106 PolarHBondContact O-N 2.76Å; R69-H107 PolarHBondContact O-N 3.11Å | ||
| 70 | K | 87.5 | Confident | 87.3 | Confident | 62 Ų | 62 | 43.8 Ų | 43.8 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | trans | -67.3 | -28.6 | -178.2 | -68.2 | -173 | 177.7 | -176.9 | 0 | 113.1 | D63 N68 H107 L108 | D63-K70 PolarHBondContact O-N 3.33Å; N68-K70 PolarHBondContact O-N 2.83Å; N68-K70 VanDerWaalsContact O-N 3.12Å; N68-K70 WeakPolarHBondContact OD1-CG 3.13Å; K70-H107 PolarHBondContact O-N 2.93Å; K70-H107 VanDerWaalsContact O-N 3.13Å; K70-L108 WeakPolarHBondContact O-CB 3.28Å; K70-L108 PolarHBondContact O-N 3.02Å | ||
| 71 | G | 92.7 | Very high | 85.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | 75.8 | 159.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A60 P61 D63 R69 L108 | A60-G71 WeakPolarHBondContact O-CA 3.5Å; P61-G71 VanDerWaalsContact O-CA 3.31Å; P61-G71 WeakPolarHBondContact O-CA 3.44Å; D63-G71 PolarHBondContact O-N 2.88Å; R69-G71 VanDerWaalsContact C-N 3.28Å; R69-G71 PolarHBondContact O-N 2.74Å; G71-L108 CarbonylContact C-O 3.54Å; G71-L108 WeakPolarHBondContact CA-O 3.41Å |
| 72 | D | 94.4 | Very high | 83.8 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 174.5 | 176 | -151.9 | -4.5 | 0 | 0 | 0 | 112.8 | A60 D63 K88 N90 L91 G92 L108 | A60-D72 PolarHBondContact N-O 2.93Å; A60-D72 PolarHBondContact O-N 2.8Å; A60-D72 VanDerWaalsContact O-N 3.12Å; D63-D72 HydrophobicContact CB-CB 4.17Å; D72-K88 WeakPolarHBondContact OD2-CE 3.09Å; D72-K88 WeakPolarHBondContact OD2-CG 3.41Å; D72-K88 IonicContact OD2-NZ 3.83Å; D72-N90 PolarHBondContact OD1-N 3.07Å; D72-N90 WeakPolarHBondContact OD2-CA 3.43Å; D72-N90 PolarHBondContact OD2-N 2.86Å; D72-L91 PolarHBondContact OD1-N 3.03Å; D72-G92 PolarHBondContact OD1-N 2.72Å; D72-L108 PolarHBondContact N-O 2.78Å; D72-L108 VanDerWaalsContact N-O 3.13Å |
| 73 | V | 95.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.3 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | L57 V58 V89 L91 L112 F120 A122 | L57-V73 HydrophobicContact CB-CG1 4.11Å; L57-V73 HydrophobicContact CD2-CG1 4.48Å; V58-V73 WeakPolarHBondContact O-CA 3.3Å; V73-V89 WeakPolarHBondContact O-CB 3.43Å; V73-V89 VanDerWaalsContact O-CG2 3.31Å; V73-V89 WeakPolarHBondContact O-CG2 3.27Å; V73-V89 PolarHBondContact O-N 3.11Å; V73-L91 HydrophobicContact CB-CD1 4.03Å; V73-L91 HydrophobicContact CG2-CD1 3.93Å; V73-L112 HydrophobicContact CG1-CD1 4.33Å; V73-L112 HydrophobicContact CG1-CD2 4.4Å; V73-L112 HydrophobicContact CG2-CD2 3.78Å; V73-F120 HydrophobicContact CG1-CE2 4.35Å; V73-F120 HydrophobicContact CG2-CE2 4.46Å; V73-A122 HydrophobicContact CG2-CB 4.07Å |
| 74 | Y | 95.7 | Very high | 80.8 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.6 | 176.9 | -74.5 | -106 | 0 | 0 | 0 | 110.1 | F41 L57 V58 A60 D63 C86 S87 K88 | F41-Y74 HydrophobicContact CD2-CD1 4.4Å; F41-Y74 AromaticContact CD2-CD2 3.93Å; F41-Y74 HydrophobicContact CD2-CD2 3.93Å; F41-Y74 HydrophobicContact CD2-CE2 4.41Å; F41-Y74 AromaticContact CD2-CG 3.94Å; F41-Y74 HydrophobicContact CD2-CG 3.94Å; F41-Y74 HydrophobicContact CE2-CD1 4.14Å; F41-Y74 HydrophobicContact CE2-CD2 4.19Å; F41-Y74 AromaticContact CE2-CG 3.73Å; F41-Y74 HydrophobicContact CE2-CG 3.73Å; L57-Y74 CarbonylContact C-O 3.37Å; L57-Y74 WeakPolarHBondContact CA-O 3.24Å; V58-Y74 PolarHBondContact N-O 3.31Å; V58-Y74 PolarHBondContact O-N 2.92Å; A60-Y74 HydrophobicContact CB-CD2 3.85Å; A60-Y74 HydrophobicContact CB-CE2 3.64Å; D63-Y74 PolarHBondContact OD1-OH 2.69Å; Y74-C86 HydrophobicContact CD1-CB 4.44Å; Y74-S87 CarbonylContact C-O 3.55Å; Y74-S87 VanDerWaalsContact CA-O 3.25Å; Y74-S87 WeakPolarHBondContact CA-O 3.38Å; Y74-K88 HydrophobicContact CD1-CB 3.99Å; Y74-K88 HydrophobicContact CE1-CB 3.62Å; Y74-K88 HydrophobicContact CE1-CD 4.49Å; Y74-K88 HydrophobicContact CE1-CG 4.08Å; Y74-K88 HydrophobicContact CE2-CG 4.3Å |
| 75 | K | 94.3 | Very high | 80.1 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.1 | 172.6 | -169 | -163.3 | -150.5 | 175 | 0 | 109.7 | E53 L57 V77 C86 S87 V89 L148 | E53-K75 VanDerWaalsContact OE1-CE 3.26Å; E53-K75 WeakPolarHBondContact OE1-CE 3.25Å; E53-K75 IonicContact OE1-NZ 2.65Å; E53-K75 PolarHBondContact OE1-NZ 3.18Å; L57-K75 HydrophobicContact CD2-CB 4.3Å; L57-K75 HydrophobicContact CD2-CG 4.23Å; K75-V77 HydrophobicContact CD-CG2 4.18Å; K75-C86 CarbonylContact O-C 3.55Å; K75-C86 VanDerWaalsContact O-CA 3.28Å; K75-C86 WeakPolarHBondContact O-CA 3.41Å; K75-S87 PolarHBondContact N-O 3.42Å; K75-S87 PolarHBondContact O-N 2.8Å; K75-S87 PolarHBondContact O-OG 3.03Å; K75-V89 HydrophobicContact CB-CG2 4.23Å; K75-L148 HydrophobicContact CB-CD1 4.37Å; K75-L148 HydrophobicContact CD-CD1 3.73Å; K75-L148 HydrophobicContact CG-CD1 4.36Å |
| 76 | C | 92.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 102 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 109 | F33 S55 M56 C86 | F33-C76 HydrophobicContact CD1-CB 3.63Å; F33-C76 HydrophobicContact CE1-CB 3.78Å; F33-C76 HydrophobicContact CG-CB 4.06Å; F33-C76 HydrophobicContact CZ-CB 4.39Å; S55-C76 CarbonylContact C-O 3.48Å; S55-C76 WeakPolarHBondContact CA-O 3.47Å; S55-C76 WeakPolarHBondContact CB-O 3.35Å; M56-C76 HydrophobicContact CB-CB 4.23Å; M56-C76 PolarHBondContact N-O 3.05Å; M56-C76 WeakPolarHBondContact O-CB 3.46Å; M56-C76 PolarHBondContact O-N 2.6Å; C76-C86 HydrophobicContact CB-CB 4.13Å; C76-C86 WeakPolarHBondContact CB-SG 3.06Å; C76-C86 WeakPolarHBondContact SG-CB 3.42Å; C76-C86 CovalentContact SG-SG 2.03Å; C76-C86 PolarHBondContact SG-SG 2.9Å |
| 77 | V | 89.3 | Confident | 80.9 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 133.7 | -177.7 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | E53 K75 G79 S84 | E53-V77 HydrophobicContact CG-CG1 4.13Å; K75-V77 HydrophobicContact CD-CG2 4.18Å; V77-G79 PolarHBondContact O-N 2.98Å; V77-S84 WeakPolarHBondContact O-CB 3.34Å; V77-S84 PolarHBondContact O-OG 2.95Å |
| 78 | V | 84.8 | Confident | 81.6 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | trans | -97.7 | 81.2 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | F33 K54 L621 L639 | F33-V78 HydrophobicContact CZ-CG2 4.21Å; K54-V78 PolarHBondContact O-N 2.83Å; V78-L621 HydrophobicContact CB-CB 4.41Å; V78-L621 HydrophobicContact CG1-CB 4.22Å; V78-L621 WeakPolarHBondContact CG1-O 3.21Å; V78-L621 HydrophobicContact CG2-CB 4.23Å; V78-L621 HydrophobicContact CG2-CD1 4.27Å; V78-L639 HydrophobicContact CB-CD2 4.48Å; V78-L639 HydrophobicContact CG1-CD2 3.56Å; V78-L639 HydrophobicContact CG2-CD2 4.03Å | ||
| 79 | G | 69.9 | Low | 82.1 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | trans | -95.7 | -170.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R31 V77 E81 | R31-G79 PolarHBondContact NH1-O 2.89Å; V77-G79 PolarHBondContact O-N 2.98Å; G79-E81 VanDerWaalsContact C-N 3.26Å; G79-E81 PolarHBondContact O-N 2.85Å | ||
| 80 | E | 59.2 | Low | 82.3 | Confident | 204 Ų | 204 | 60 Ų | 60 | 95% | 0.953 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -66.3 | -25.9 | 174 | -69.1 | -168 | 166.8 | 0 | 0 | 113 | ||
| 81 | E | 59.8 | Low | 82.2 | Confident | 152 Ų | 152 | 57 Ų | 57 | 71% | 0.71 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -79.3 | 127.2 | 179.2 | -66.6 | -168.5 | 168.7 | 0 | 0 | 111.9 | G79 N83 | G79-E81 VanDerWaalsContact C-N 3.26Å; G79-E81 PolarHBondContact O-N 2.85Å; E81-N83 PolarHBondContact O-N 3.41Å |
| 82 | K | 59.2 | Low | 81.5 | Confident | 141 Ų | 141 | 57.1 Ų | 57.1 | 61% | 0.613 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.5 | 179 | -75.4 | -171.3 | 175.3 | -171.7 | 0 | 114.9 | ||
| 83 | N | 59 | Low | 80.7 | Confident | 150 Ų | 150 | 63.1 Ų | 63.1 | 80% | 0.802 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 48 | -175.9 | -71.2 | -8.1 | 0 | 0 | 0 | 111.7 | E81 N85 | E81-N83 PolarHBondContact O-N 3.41Å; N83-N85 PolarHBondContact O-N 3.22Å |
| 84 | S | 64.2 | Low | 79.9 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 130 | 173.8 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | F33 V77 | F33-S84 WeakPolarHBondContact CD1-O 3.35Å; F33-S84 WeakPolarHBondContact CE1-OG 3.44Å; V77-S84 WeakPolarHBondContact O-CB 3.34Å; V77-S84 PolarHBondContact O-OG 2.95Å |
| 85 | N | 73.1 | Confident | 79 | Confident | 132 Ų | 132 | 65.8 Ų | 65.8 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 137.3 | -179.5 | -152.3 | 14.1 | 0 | 0 | 0 | 109.4 | N83 | N83-N85 PolarHBondContact O-N 3.22Š|
| 86 | C | 90.3 | Very high | 78 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 130 | 176 | -58 | 0 | 0 | 0 | 0 | 110.2 | F41 Y74 K75 C76 | F41-C86 HydrophobicContact CE2-CB 4.24Å; F41-C86 HydrophobicContact CZ-CB 4.24Å; Y74-C86 HydrophobicContact CD1-CB 4.44Å; K75-C86 CarbonylContact O-C 3.55Å; K75-C86 VanDerWaalsContact O-CA 3.28Å; K75-C86 WeakPolarHBondContact O-CA 3.41Å; C76-C86 HydrophobicContact CB-CB 4.13Å; C76-C86 WeakPolarHBondContact CB-SG 3.06Å; C76-C86 WeakPolarHBondContact SG-CB 3.42Å; C76-C86 CovalentContact SG-SG 2.03Å; C76-C86 PolarHBondContact SG-SG 2.9Å |
| 87 | S | 91.8 | Very high | 76.7 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 139.1 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | Y74 K75 | Y74-S87 CarbonylContact C-O 3.55Å; Y74-S87 VanDerWaalsContact CA-O 3.25Å; Y74-S87 WeakPolarHBondContact CA-O 3.38Å; K75-S87 PolarHBondContact N-O 3.42Å; K75-S87 PolarHBondContact O-N 2.8Å; K75-S87 PolarHBondContact O-OG 3.03Å |
| 88 | K | 92.7 | Very high | 75.3 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 33% | 0.326 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 131.2 | 174 | -173.6 | 175 | 174.1 | 177.5 | 0 | 109.6 | D63 D72 Y74 N90 | D63-K88 WeakPolarHBondContact OD2-CE 3.43Å; D63-K88 IonicContact OD2-NZ 2.83Å; D63-K88 PolarHBondContact OD2-NZ 2.92Å; D72-K88 WeakPolarHBondContact OD2-CE 3.09Å; D72-K88 WeakPolarHBondContact OD2-CG 3.41Å; D72-K88 IonicContact OD2-NZ 3.83Å; Y74-K88 HydrophobicContact CD1-CB 3.99Å; Y74-K88 HydrophobicContact CE1-CB 3.62Å; Y74-K88 HydrophobicContact CE1-CD 4.49Å; Y74-K88 HydrophobicContact CE1-CG 4.08Å; Y74-K88 HydrophobicContact CE2-CG 4.3Å; K88-N90 PolarHBondContact O-ND2 2.91Å |
| 89 | V | 91.9 | Very high | 74.2 | Confident | 24 Ų | 24 | 80.5 Ų | 80.5 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | trans | -80.6 | -27.4 | -178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | V73 K75 L91 L148 | V73-V89 WeakPolarHBondContact O-CB 3.43Å; V73-V89 VanDerWaalsContact O-CG2 3.31Å; V73-V89 WeakPolarHBondContact O-CG2 3.27Å; V73-V89 PolarHBondContact O-N 3.11Å; K75-V89 HydrophobicContact CB-CG2 4.23Å; V89-L91 HydrophobicContact CB-CG 4.1Å; V89-L91 HydrophobicContact CG1-CD1 4.21Å; V89-L91 HydrophobicContact CG1-CD2 3.86Å; V89-L91 HydrophobicContact CG1-CG 3.64Å; V89-L148 HydrophobicContact CG1-CB 3.86Å; V89-L148 HydrophobicContact CG1-CD1 4.44Å; V89-L148 HydrophobicContact CG2-CD1 4.27Å | ||
| 90 | N | 90.1 | Very high | 73.4 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | trans | 71.6 | 27.5 | -178.3 | -48.2 | -71.7 | 0 | 0 | 0 | 114.4 | D72 K88 G92 E93 T94 | D72-N90 PolarHBondContact OD1-N 3.07Å; D72-N90 WeakPolarHBondContact OD2-CA 3.43Å; D72-N90 PolarHBondContact OD2-N 2.86Å; K88-N90 PolarHBondContact O-ND2 2.91Å; N90-G92 VanDerWaalsContact C-N 3.28Å; N90-G92 PolarHBondContact O-N 3.32Å; N90-E93 PolarHBondContact O-N 2.8Å; N90-E93 VanDerWaalsContact O-N 3.14Å; N90-T94 PolarHBondContact O-N 3.3Å; N90-T94 PolarHBondContact O-OG1 3.09Å; N90-T94 VanDerWaalsContact O-OG1 3.1Å | ||
| 91 | L | 86.2 | Confident | 73.3 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 178.7 | -66.2 | 177 | 0 | 0 | 0 | 112.4 | D72 V73 V89 E93 T94 A95 L108 F120 V144 P150 | D72-L91 PolarHBondContact OD1-N 3.03Å; V73-L91 HydrophobicContact CB-CD1 4.03Å; V73-L91 HydrophobicContact CG2-CD1 3.93Å; V89-L91 HydrophobicContact CB-CG 4.1Å; V89-L91 HydrophobicContact CG1-CD1 4.21Å; V89-L91 HydrophobicContact CG1-CD2 3.86Å; V89-L91 HydrophobicContact CG1-CG 3.64Å; L91-E93 PolarHBondContact O-N 3.05Å; L91-E93 VanDerWaalsContact O-N 3.08Å; L91-T94 WeakPolarHBondContact CA-OG1 3.18Å; L91-T94 PolarHBondContact O-N 3.34Å; L91-A95 VanDerWaalsContact O-CB 3.25Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.49Å; L91-L108 HydrophobicContact CB-CD2 3.69Å; L91-F120 HydrophobicContact CD1-CE2 4.05Å; L91-F120 HydrophobicContact CD1-CZ 3.94Å; L91-V144 HydrophobicContact CD1-CG1 4.48Å; L91-V144 HydrophobicContact CD1-CG2 3.89Å; L91-V144 HydrophobicContact CD2-CG1 4.09Å; L91-V144 HydrophobicContact CD2-CG2 4.03Å; L91-P150 HydrophobicContact CD2-CG 4.09Å |
| 92 | G | 76.6 | Confident | 73 | Confident | 4 Ų | 4 | 80 Ų | 80 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.8 | -19.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | D72 N90 | D72-G92 PolarHBondContact OD1-N 2.72Å; N90-G92 VanDerWaalsContact C-N 3.28Å; N90-G92 PolarHBondContact O-N 3.32Å |
| 93 | E | 77.3 | Confident | 73.1 | Confident | 130 Ų | 130 | 74.5 Ų | 74.5 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -104.2 | -39.8 | 174.6 | -64.7 | -168.1 | 167.7 | 0 | 0 | 113.2 | N90 L91 | N90-E93 PolarHBondContact O-N 2.8Å; N90-E93 VanDerWaalsContact O-N 3.14Å; L91-E93 PolarHBondContact O-N 3.05Å; L91-E93 VanDerWaalsContact O-N 3.08Å |
| 94 | T | 79.9 | Confident | 73.4 | Confident | 67 Ų | 67 | 74 Ų | 74 | 41% | 0.411 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -82 | -45.2 | -173.9 | 56 | 0 | 0 | 0 | 0 | 112.7 | N90 L91 L96 | N90-T94 PolarHBondContact O-N 3.3Å; N90-T94 PolarHBondContact O-OG1 3.09Å; N90-T94 VanDerWaalsContact O-OG1 3.1Å; L91-T94 WeakPolarHBondContact CA-OG1 3.18Å; L91-T94 PolarHBondContact O-N 3.34Å; T94-L96 PolarHBondContact O-N 2.88Å |
| 95 | A | 76.8 | Confident | 74 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -34 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L91 A142 P150 T153 | L91-A95 VanDerWaalsContact O-CB 3.25Å; L91-A95 WeakPolarHBondContact O-CB 3.38Å; L91-A95 PolarHBondContact O-N 3.49Å; A95-A142 HydrophobicContact CB-CB 3.71Å; A95-P150 HydrophobicContact CB-CB 3.81Å; A95-P150 HydrophobicContact CB-CG 3.68Å; A95-T153 WeakPolarHBondContact O-CG2 3.29Å |
| 96 | L | 72.7 | Confident | 74.3 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13.4 | -172.8 | -56.1 | -179.7 | 0 | 0 | 0 | 113.5 | T94 N98 L103 I140 T153 | T94-L96 PolarHBondContact O-N 2.88Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 2.88Å; L96-L103 HydrophobicContact CB-CD2 3.93Å; L96-L103 HydrophobicContact CD1-CD2 3.83Å; L96-L103 HydrophobicContact CG-CD2 4.48Å; L96-I140 HydrophobicContact CD1-CG2 4.5Å; L96-I140 HydrophobicContact CD2-CD1 3.84Å; L96-I140 HydrophobicContact CD2-CG1 4.15Å; L96-I140 HydrophobicContact CD2-CG2 3.86Å; L96-T153 HydrophobicContact CD2-CG2 4.36Å |
| 97 | R | 66.8 | Low | 74.4 | Confident | 208 Ų | 208 | 69.6 Ų | 69.6 | 79% | 0.785 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.1 | -172.2 | -167.7 | 174.6 | 177.7 | -177.2 | 0.1 | 114.1 | ||
| 98 | N | 59.1 | Low | 74.4 | Confident | 161 Ų | 161 | 66.5 Ų | 66.5 | 86% | 0.861 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.6 | -174.7 | -70.3 | -19.2 | 0 | 0 | 0 | 113.9 | L96 | L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 2.88Å |
| 99 | V | 62.4 | Low | 74.5 | Confident | 19 Ų | 19 | 63 Ų | 63 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -91.9 | 129 | 178.3 | -170 | 0 | 0 | 0 | 0 | 109.1 | W127 I140 | V99-W127 HydrophobicContact CG1-CH2 4.06Å; V99-W127 HydrophobicContact CG1-CZ2 3.46Å; V99-W127 VanDerWaalsContact CG1-CZ2 3.46Å; V99-I140 HydrophobicContact CG1-CD1 4.49Å; V99-I140 HydrophobicContact CG2-CD1 3.84Å |
| 100 | S | 53.1 | Low | 74.6 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | trans | -60.6 | 146.9 | -166.5 | -7.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 101 | K | 55.5 | Low | 74.9 | Confident | 196 Ų | 196 | 61.3 Ų | 61.3 | 85% | 0.852 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -5.9 | 132 | 177.4 | -69.8 | 176.9 | 178.2 | 176.3 | 0 | 120.1 | ||
| 102 | N | 54.8 | Low | 75.4 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | trans | 79.2 | 51.6 | 169.5 | -67.2 | -9.4 | 0 | 0 | 0 | 117.7 | R104 E130 | N102-R104 PolarHBondContact O-N 3.36Å; N102-E130 PolarHBondContact ND2-OE2 2.81Å | ||
| 103 | L | 60.5 | Low | 76.2 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | trans | -63.3 | 113.7 | 163.8 | -68.8 | 104.3 | 0 | 0 | 0 | 111.4 | N68 L96 W127 | N68-L103 PolarHBondContact ND2-O 2.8Å; N68-L103 PolarHBondContact OD1-O 3.43Å; L96-L103 HydrophobicContact CB-CD2 3.93Å; L96-L103 HydrophobicContact CD1-CD2 3.83Å; L96-L103 HydrophobicContact CG-CD2 4.48Å; L103-W127 VanDerWaalsContact CD2-NE1 3.3Å | ||
| 104 | R | 65.1 | Low | 76.7 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 53% | 0.525 | 29% | 0.29 | S | S | . | . | trans | -124.5 | 134.3 | 164.7 | -65.2 | -171.5 | -177.4 | -169.9 | 4.5 | 110.5 | N68 N102 S106 | N68-R104 WeakPolarHBondContact OD1-CA 3.47Å; N102-R104 PolarHBondContact O-N 3.36Å; R104-S106 PolarHBondContact O-N 3Å | ||
| 105 | N | 76.4 | Confident | 76.8 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | trans | 56 | 48.5 | 168.3 | -59.3 | -23.7 | 0 | 0 | 0 | 115.4 | N68 R69 H107 | N68-N105 WeakPolarHBondContact CA-OD1 3.34Å; N68-N105 PolarHBondContact OD1-N 2.85Å; R69-N105 PolarHBondContact N-OD1 3.34Å; R69-N105 CarbonylContact O-C 3.51Å; R69-N105 VanDerWaalsContact O-CA 3.25Å; R69-N105 WeakPolarHBondContact O-CA 3.37Å; N105-H107 PolarHBondContact O-CD2 2.95Å | ||
| 106 | S | 81.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -76 | -25.1 | -175.4 | -48.1 | 0 | 0 | 0 | 0 | 114.7 | R69 R104 A124 W127 | R69-S106 PolarHBondContact O-N 2.76Å; R104-S106 PolarHBondContact O-N 3Å; S106-A124 CarbonylContact O-C 3.6Å; S106-A124 WeakPolarHBondContact O-CA 3.33Å; S106-A124 VanDerWaalsContact O-CB 3.26Å; S106-A124 WeakPolarHBondContact O-CB 3.3Å; S106-W127 PolarHBondContact O-N 2.84Å | ||
| 107 | H | 90.4 | Very high | 76 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | trans | 59.2 | 44.2 | 177.4 | -60.3 | -69.5 | 0 | 0 | 0 | 116.4 | P61 W62 R69 K70 N105 M110 L126 | P61-H107 HydrophobicContact CB-CB 3.98Å; P61-H107 VanDerWaalsContact O-CA 3.27Å; P61-H107 WeakPolarHBondContact O-CA 3.31Å; P61-H107 PolarHBondContact O-ND1 3.38Å; W62-H107 AromaticContact CD1-CE1 3.87Å; W62-H107 AromaticContact CD2-CE1 3.64Å; W62-H107 AromaticContact CD2-ND1 3.56Å; W62-H107 AromaticContact CE2-CE1 3.32Å; W62-H107 AromaticContact CE2-ND1 3.67Å; W62-H107 AromaticContact CE3-ND1 3.75Å; W62-H107 AromaticContact CG-CE1 3.97Å; W62-H107 AromaticContact CZ2-CE1 3.67Å; W62-H107 AromaticContact CZ2-ND1 3.93Å; W62-H107 AromaticContact CZ3-ND1 3.99Å; W62-H107 AromaticContact NE1-CE1 3.49Å; W62-H107 PolarHBondContact NE1-CE1 3.12Å; R69-H107 PolarHBondContact O-N 3.11Å; K70-H107 PolarHBondContact O-N 2.93Å; K70-H107 VanDerWaalsContact O-N 3.13Å; N105-H107 PolarHBondContact O-CD2 2.95Å; H107-M110 PolarHBondContact O-N 3.49Å; H107-L126 HydrophobicContact CB-CB 4.42Å; H107-L126 HydrophobicContact CB-CD1 4.38Å; H107-L126 VanDerWaalsContact CD2-CD1 3.46Å; H107-L126 WeakPolarHBondContact CD2-CD1 3.12Å | ||
| 108 | L | 93.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -58.7 | 138.5 | 175.1 | -172.4 | 70.3 | 0 | 0 | 0 | 112.4 | P61 K70 G71 D72 L91 A122 A124 | P61-L108 WeakPolarHBondContact CA-O 3.38Å; K70-L108 WeakPolarHBondContact O-CB 3.28Å; K70-L108 PolarHBondContact O-N 3.02Å; G71-L108 CarbonylContact C-O 3.54Å; G71-L108 WeakPolarHBondContact CA-O 3.41Å; D72-L108 PolarHBondContact N-O 2.78Å; D72-L108 VanDerWaalsContact N-O 3.13Å; L91-L108 HydrophobicContact CB-CD2 3.69Å; L108-A122 HydrophobicContact CD1-CB 4.12Å; L108-A122 WeakPolarHBondContact CD1-O 3.06Å; L108-A124 HydrophobicContact CB-CB 4.01Å; L108-A124 HydrophobicContact CD1-CB 3.86Å |
| 109 | G | 94.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 7.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S44 G59 T111 C123 | S44-G109 PolarHBondContact OG-O 2.84Å; G59-G109 WeakPolarHBondContact CA-O 3.41Å; G109-T111 VanDerWaalsContact C-N 3.29Å; G109-C123 PolarHBondContact N-O 3.13Å |
| 110 | M | 95.1 | Very high | 79.4 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 18% | 0.177 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -63.4 | -38.9 | 170.4 | -170.5 | 169.7 | 170.1 | 0 | 0 | 111.3 | F43 P61 H107 C123 P125 F376 | F43-M110 HydrophobicContact CD1-CG 4.22Å; F43-M110 WeakPolarHBondContact CD1-O 3.45Å; F43-M110 HydrophobicContact CE1-CB 4.39Å; F43-M110 HydrophobicContact CE1-CG 3.52Å; F43-M110 WeakPolarHBondContact CE1-O 3.45Å; F43-M110 HydrophobicContact CZ-CE 4.06Å; F43-M110 HydrophobicContact CZ-CG 3.8Å; P61-M110 HydrophobicContact CB-CB 4.16Å; P61-M110 HydrophobicContact CG-CB 4.42Å; H107-M110 PolarHBondContact O-N 3.49Å; M110-C123 PolarHBondContact N-O 2.78Å; M110-P125 HydrophobicContact CB-CG 4.23Å; M110-P125 HydrophobicContact CG-CG 4.32Å; M110-P125 HydrophobicContact SD-CG 3.61Å; M110-F376 HydrophobicContact CE-CE2 4.05Å; M110-F376 HydrophobicContact CE-CZ 4.21Å |
| 111 | T | 96.1 | Very high | 81.4 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 14% | 0.135 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.2 | 175.3 | -49.1 | 0 | 0 | 0 | 0 | 109 | G109 C123 G375 F376 T378 | G109-T111 VanDerWaalsContact C-N 3.29Å; T111-C123 PolarHBondContact O-N 3.22Å; T111-G375 WeakPolarHBondContact CB-O 3.22Å; T111-G375 PolarHBondContact OG1-O 2.77Å; T111-F376 PolarHBondContact OG1-O 2.98Å; T111-F376 VanDerWaalsContact OG1-O 3.13Å; T111-T378 VanDerWaalsContact CG2-OG1 3.26Å; T111-T378 WeakPolarHBondContact CG2-OG1 3.45Å |
| 112 | L | 95.6 | Very high | 83.3 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.115 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.8 | 173.1 | -67.4 | 178.7 | 0 | 0 | 0 | 108.2 | S44 L46 L57 V73 F120 L121 A122 | S44-L112 WeakPolarHBondContact OG-CD1 3.41Å; S44-L112 WeakPolarHBondContact OG-CG 3.5Å; L46-L112 HydrophobicContact CB-CB 4.25Å; L46-L112 HydrophobicContact CB-CD1 4.47Å; L46-L112 HydrophobicContact CD2-CB 4.38Å; L57-L112 HydrophobicContact CB-CD1 4.42Å; V73-L112 HydrophobicContact CG1-CD1 4.33Å; V73-L112 HydrophobicContact CG1-CD2 4.4Å; V73-L112 HydrophobicContact CG2-CD2 3.78Å; L112-F120 HydrophobicContact CD2-CD2 4.18Å; L112-F120 HydrophobicContact CD2-CE2 4.29Å; L112-L121 WeakPolarHBondContact CA-O 3Å; L112-A122 HydrophobicContact CD2-CB 3.79Å |
| 113 | T | 92.9 | Very high | 85.2 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 9% | 0.092 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.7 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | F120 L121 T378 T380 | T113-F120 CarbonylContact O-C 3.39Å; T113-F120 WeakPolarHBondContact O-CA 3.15Å; T113-F120 WeakPolarHBondContact O-CB 3.26Å; T113-L121 PolarHBondContact N-O 3.41Å; T113-L121 PolarHBondContact O-N 2.79Å; T113-T378 PolarHBondContact OG1-OG1 3.07Å; T113-T380 WeakPolarHBondContact CG2-OG1 3.5Å |
| 114 | P | 89.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 32.2 Ų | 32.2 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 136.7 | 174.1 | 28.8 | -38 | 0 | 0 | 0 | 110.8 | L46 T380 R618 | L46-P114 HydrophobicContact CD1-CB 4.47Å; P114-T380 PolarHBondContact O-OG1 2.93Å; P114-R618 VanDerWaalsContact CB-NH1 3.32Å; P114-R618 VanDerWaalsContact CG-NH1 3.29Å |
| 115 | D | 80.6 | Confident | 88 | Confident | 35 Ų | 35 | 25.6 Ų | 25.6 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | trans | -99.9 | 150.7 | 173.3 | -160.6 | 3.9 | 0 | 0 | 0 | 109.2 | G119 S143 | D115-G119 PolarHBondContact N-O 2.98Å; D115-G119 VanDerWaalsContact N-O 3.1Å; D115-S143 PolarHBondContact OD2-OG 3.06Å; D115-S143 VanDerWaalsContact OD2-OG 3.08Å | ||
| 116 | S | 69.1 | Low | 88.7 | Confident | 88 Ų | 88 | 25 Ų | 25 | 62% | 0.615 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -116.6 | 130.8 | -179.3 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 117 | P | 63.7 | Low | 89 | Confident | 111 Ų | 111 | 25.1 Ų | 25.1 | 72% | 0.721 | 15% | 0.15 | S | C | * | . | S | Bend | cis | -86.4 | -26.5 | 8.4 | 31.5 | -33.3 | 0 | 0 | 0 | 115.5 | ||
| 118 | D | 77.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 25 Ų | 25 | 44% | 0.439 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -135.2 | 133.8 | -172.1 | -53.3 | -40.4 | 0 | 0 | 0 | 110.2 | R151 | D118-R151 PolarHBondContact O-NH1 2.83Š|
| 119 | G | 89.4 | Confident | 87.8 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | trans | 108.5 | -160.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D115 V144 D146 | D115-G119 PolarHBondContact N-O 2.98Å; D115-G119 VanDerWaalsContact N-O 3.1Å; G119-V144 CarbonylContact C-O 3.23Å; G119-V144 WeakPolarHBondContact CA-O 3.33Å; G119-D146 VanDerWaalsContact CA-OD1 3.27Å; G119-D146 WeakPolarHBondContact CA-OD1 3.47Å; G119-D146 PolarHBondContact N-OD1 3.39Å | ||
| 120 | F | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 158.7 | 179.2 | 66.8 | -80.1 | 0 | 0 | 0 | 112.1 | L46 L57 V73 L91 L112 T113 A122 V144 L148 | L46-F120 HydrophobicContact CD2-CB 3.86Å; L57-F120 HydrophobicContact CD1-CB 4.36Å; L57-F120 HydrophobicContact CD1-CD1 3.4Å; L57-F120 HydrophobicContact CD1-CD2 4.01Å; L57-F120 HydrophobicContact CD1-CE1 3.52Å; L57-F120 HydrophobicContact CD1-CE2 4.1Å; L57-F120 HydrophobicContact CD1-CG 3.65Å; L57-F120 HydrophobicContact CD1-CZ 3.87Å; V73-F120 HydrophobicContact CG1-CE2 4.35Å; V73-F120 HydrophobicContact CG2-CE2 4.46Å; L91-F120 HydrophobicContact CD1-CE2 4.05Å; L91-F120 HydrophobicContact CD1-CZ 3.94Å; L112-F120 HydrophobicContact CD2-CD2 4.18Å; L112-F120 HydrophobicContact CD2-CE2 4.29Å; T113-F120 CarbonylContact O-C 3.39Å; T113-F120 WeakPolarHBondContact O-CA 3.15Å; T113-F120 WeakPolarHBondContact O-CB 3.26Å; F120-A122 HydrophobicContact CD2-CB 4.36Å; F120-A122 HydrophobicContact CE2-CB 4.08Å; F120-V144 HydrophobicContact CD1-CB 4.15Å; F120-V144 HydrophobicContact CD1-CG1 4.37Å; F120-V144 HydrophobicContact CD2-CB 4.47Å; F120-V144 HydrophobicContact CE1-CB 3.76Å; F120-V144 HydrophobicContact CE1-CG1 3.58Å; F120-V144 HydrophobicContact CE2-CB 4.12Å; F120-V144 HydrophobicContact CE2-CG1 4.46Å; F120-V144 HydrophobicContact CE2-CG2 4.15Å; F120-V144 HydrophobicContact CG-CB 4.49Å; F120-V144 HydrophobicContact CZ-CB 3.76Å; F120-V144 HydrophobicContact CZ-CG1 3.64Å; F120-V144 HydrophobicContact CZ-CG2 4.12Å; F120-V144 PolarHBondContact N-O 3.47Å; F120-V144 PolarHBondContact O-N 3.15Å; F120-L148 HydrophobicContact CE1-CD2 3.76Å; F120-L148 HydrophobicContact CZ-CD2 4.36Å |
| 121 | L | 94.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.9 | 172 | -169.7 | 76.3 | 0 | 0 | 0 | 109.8 | L112 T113 C141 A142 I154 T378 I385 F387 | L112-L121 WeakPolarHBondContact CA-O 3Å; T113-L121 PolarHBondContact N-O 3.41Å; T113-L121 PolarHBondContact O-N 2.79Å; L121-C141 HydrophobicContact CD1-CB 3.81Å; L121-C141 HydrophobicContact CD2-CB 4.28Å; L121-C141 HydrophobicContact CG-CB 4.07Å; L121-A142 WeakPolarHBondContact CA-O 3.38Å; L121-I154 HydrophobicContact CD1-CD1 3.81Å; L121-T378 HydrophobicContact CD2-CG2 3.84Å; L121-I385 HydrophobicContact CD1-CD1 4.4Å; L121-I385 HydrophobicContact CD2-CD1 4.12Å; L121-I385 HydrophobicContact CD2-CG2 4.3Å; L121-F387 HydrophobicContact CD2-CE1 3.84Å; L121-F387 HydrophobicContact CD2-CZ 4.06Å |
| 122 | A | 95.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V73 L108 L112 F120 C141 A142 | V73-A122 HydrophobicContact CG2-CB 4.07Å; L108-A122 HydrophobicContact CD1-CB 4.12Å; L108-A122 WeakPolarHBondContact CD1-O 3.06Å; L112-A122 HydrophobicContact CD2-CB 3.79Å; F120-A122 HydrophobicContact CD2-CB 4.36Å; F120-A122 HydrophobicContact CE2-CB 4.08Å; A122-C141 CarbonylContact O-C 3.51Å; A122-C141 WeakPolarHBondContact O-CA 3.13Å; A122-A142 PolarHBondContact N-O 3.46Å; A122-A142 PolarHBondContact O-N 3.03Å |
| 123 | C | 94.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.5 | -176.7 | -62.5 | 0 | 0 | 0 | 0 | 113.7 | G109 M110 T111 C141 G375 | G109-C123 PolarHBondContact N-O 3.13Å; M110-C123 PolarHBondContact N-O 2.78Å; T111-C123 PolarHBondContact O-N 3.22Å; C123-C141 HydrophobicContact CB-CB 4.05Å; C123-C141 WeakPolarHBondContact CB-SG 3.41Å; C123-C141 WeakPolarHBondContact SG-CB 3.03Å; C123-C141 CovalentContact SG-SG 2.04Å; C123-C141 PolarHBondContact SG-SG 2.99Å; C123-G375 WeakPolarHBondContact CB-O 3.14Å |
| 124 | A | 93.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 75.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | S106 L108 L126 W127 G139 I140 | S106-A124 CarbonylContact O-C 3.6Å; S106-A124 WeakPolarHBondContact O-CA 3.33Å; S106-A124 VanDerWaalsContact O-CB 3.26Å; S106-A124 WeakPolarHBondContact O-CB 3.3Å; L108-A124 HydrophobicContact CB-CB 4.01Å; L108-A124 HydrophobicContact CD1-CB 3.86Å; A124-L126 PolarHBondContact O-N 3.11Å; A124-L126 VanDerWaalsContact O-N 3.16Å; A124-W127 HydrophobicContact CB-CB 4.39Å; A124-W127 VanDerWaalsContact O-CB 3.27Å; A124-W127 WeakPolarHBondContact O-CB 3.39Å; A124-W127 PolarHBondContact O-N 2.87Å; A124-G139 WeakPolarHBondContact O-CA 3.37Å; A124-I140 HydrophobicContact CB-CG2 3.81Å; A124-I140 PolarHBondContact N-O 3.4Å; A124-I140 PolarHBondContact O-N 2.95Å; A124-I140 VanDerWaalsContact O-N 3.1Å |
| 125 | P | 92.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -13.3 | -172.2 | 27.7 | -35.6 | 0 | 0 | 0 | 114.1 | M110 Q373 I374 F376 | M110-P125 HydrophobicContact CB-CG 4.23Å; M110-P125 HydrophobicContact CG-CG 4.32Å; M110-P125 HydrophobicContact SD-CG 3.61Å; P125-Q373 WeakPolarHBondContact O-CA 3.43Å; P125-Q373 WeakPolarHBondContact O-CB 3.33Å; P125-Q373 WeakPolarHBondContact O-CG 3.43Å; P125-I374 WeakPolarHBondContact CA-O 3.28Å; P125-F376 HydrophobicContact CB-CB 4.19Å; P125-F376 HydrophobicContact CB-CD2 4.3Å |
| 126 | L | 89.7 | Confident | 80.4 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 27% | 0.272 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 9.8 | 176.3 | -64.2 | 176.2 | 0 | 0 | 0 | 112.4 | H107 A124 S128 Q373 | H107-L126 HydrophobicContact CB-CB 4.42Å; H107-L126 HydrophobicContact CB-CD1 4.38Å; H107-L126 VanDerWaalsContact CD2-CD1 3.46Å; H107-L126 WeakPolarHBondContact CD2-CD1 3.12Å; A124-L126 PolarHBondContact O-N 3.11Å; A124-L126 VanDerWaalsContact O-N 3.16Å; L126-S128 PolarHBondContact O-N 3.19Å; L126-S128 PolarHBondContact O-OG 3.36Å; L126-Q373 VanDerWaalsContact CD2-NE2 3.27Å |
| 127 | W | 88.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | trans | -55.3 | 126 | 167.3 | -178.5 | 86.4 | 0 | 0 | 0 | 109.8 | V99 L103 S106 A124 Q129 S137 T138 G139 I140 E158 | V99-W127 HydrophobicContact CG1-CH2 4.06Å; V99-W127 HydrophobicContact CG1-CZ2 3.46Å; V99-W127 VanDerWaalsContact CG1-CZ2 3.46Å; L103-W127 VanDerWaalsContact CD2-NE1 3.3Å; S106-W127 PolarHBondContact O-N 2.84Å; A124-W127 HydrophobicContact CB-CB 4.39Å; A124-W127 VanDerWaalsContact O-CB 3.27Å; A124-W127 WeakPolarHBondContact O-CB 3.39Å; A124-W127 PolarHBondContact O-N 2.87Å; W127-Q129 HydrophobicContact CH2-CB 4.02Å; W127-Q129 HydrophobicContact CZ3-CB 4.32Å; W127-S137 CarbonylContact O-C 3.59Å; W127-S137 WeakPolarHBondContact O-CA 3.45Å; W127-T138 WeakPolarHBondContact CZ3-OG1 3.48Å; W127-T138 PolarHBondContact O-N 3.15Å; W127-G139 PolarHBondContact O-N 3.37Å; W127-G139 VanDerWaalsContact O-N 3.13Å; W127-I140 HydrophobicContact CB-CB 4.19Å; W127-I140 HydrophobicContact CB-CG2 3.5Å; W127-I140 HydrophobicContact CD2-CB 4.28Å; W127-I140 HydrophobicContact CD2-CG2 4.17Å; W127-I140 HydrophobicContact CE3-CB 4.49Å; W127-I140 HydrophobicContact CG-CB 4.12Å; W127-I140 HydrophobicContact CG-CG2 3.53Å; W127-E158 HydrophobicContact CH2-CG 4.19Å; W127-E158 HydrophobicContact CZ3-CG 4.33Å | ||
| 128 | S | 82.1 | Confident | 82.4 | Confident | 13 Ų | 13 | 26.8 Ų | 26.8 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | trans | -130.1 | 143.1 | -171.6 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | L126 F136 S137 | L126-S128 PolarHBondContact O-N 3.19Å; L126-S128 PolarHBondContact O-OG 3.36Å; S128-F136 CarbonylContact C-O 3.59Å; S128-F136 WeakPolarHBondContact CA-O 3.33Å; S128-S137 WeakPolarHBondContact OG-CB 3.38Å; S128-S137 PolarHBondContact OG-OG 2.98Å | ||
| 129 | Q | 76 | Confident | 83 | Confident | 36 Ų | 36 | 22.9 Ų | 22.9 | 17% | 0.168 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133 | 177.4 | -176.7 | 174.1 | 10.1 | 0 | 0 | 110.1 | W127 F136 Q159 | W127-Q129 HydrophobicContact CH2-CB 4.02Å; W127-Q129 HydrophobicContact CZ3-CB 4.32Å; Q129-F136 PolarHBondContact N-O 2.61Å; Q129-F136 PolarHBondContact O-N 2.91Å; Q129-Q159 PolarHBondContact OE1-O 3.06Å |
| 130 | E | 73.9 | Confident | 83 | Confident | 84 Ų | 84 | 22.5 Ų | 22.5 | 39% | 0.393 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 119.9 | 171.8 | -76.7 | 171.8 | -177.2 | 0 | 0 | 109.2 | N102 M135 | N102-E130 PolarHBondContact ND2-OE2 2.81Å; E130-M135 HydrophobicContact CB-SD 4.12Å; E130-M135 HydrophobicContact CG-CE 4.22Å; E130-M135 HydrophobicContact CG-SD 3.18Å; E130-M135 WeakPolarHBondContact CG-SD 3.2Å |
| 131 | C | 69.1 | Low | 83 | Confident | 11 Ų | 11 | 22.5 Ų | 22.5 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 103.6 | 175.4 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | T133 S134 F136 C161 | C131-T133 PolarHBondContact O-N 2.72Å; C131-S134 PolarHBondContact N-O 3.1Å; C131-S134 WeakPolarHBondContact O-CA 3.33Å; C131-S134 WeakPolarHBondContact O-CB 3.38Å; C131-S134 PolarHBondContact O-N 3.02Å; C131-F136 HydrophobicContact CB-CD2 3.77Å; C131-F136 HydrophobicContact CB-CE2 3.61Å; C131-F136 HydrophobicContact CB-CZ 4.29Å; C131-F136 VanDerWaalsContact SG-CD2 3.51Å; C131-C161 WeakPolarHBondContact CA-SG 3.42Å; C131-C161 HydrophobicContact CB-CB 3.63Å; C131-C161 WeakPolarHBondContact CB-SG 3.43Å; C131-C161 VanDerWaalsContact SG-CA 3.58Å; C131-C161 WeakPolarHBondContact SG-CB 3.29Å; C131-C161 CovalentContact SG-SG 2.04Å; C131-C161 PolarHBondContact SG-SG 3.43Å |
| 132 | G | 64.9 | Low | 82.9 | Confident | 32 Ų | 32 | 22.4 Ų | 22.4 | 33% | 0.33 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | -130.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q200 | G132-Q200 VanDerWaalsContact CA-CD 3.44Å; G132-Q200 PolarHBondContact O-NE2 2.82Å |
| 133 | T | 57.8 | Low | 82.7 | Confident | 83 Ų | 83 | 23.3 Ų | 23.3 | 51% | 0.509 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.2 | 164.6 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | C131 H195 E357 | C131-T133 PolarHBondContact O-N 2.72Å; T133-H195 HydrophobicContact CG2-CB 4.39Å; T133-E357 PolarHBondContact OG1-OE2 2.77Å |
| 134 | S | 66.9 | Low | 82.6 | Confident | 37 Ų | 37 | 23.3 Ų | 23.3 | 26% | 0.259 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 155 | -174.3 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | C131 | C131-S134 PolarHBondContact N-O 3.1Å; C131-S134 WeakPolarHBondContact O-CA 3.33Å; C131-S134 WeakPolarHBondContact O-CB 3.38Å; C131-S134 PolarHBondContact O-N 3.02Å |
| 135 | M | 74.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 23.3 Ų | 23.3 | 41% | 0.409 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.7 | 176 | -73.2 | -69.6 | -75.3 | 0 | 0 | 109.2 | E130 | E130-M135 HydrophobicContact CB-SD 4.12Å; E130-M135 HydrophobicContact CG-CE 4.22Å; E130-M135 HydrophobicContact CG-SD 3.18Å; E130-M135 WeakPolarHBondContact CG-SD 3.2Å |
| 136 | F | 81 | Confident | 82.3 | Confident | 16 Ų | 16 | 25.1 Ų | 25.1 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 112.9 | -179.2 | -64.9 | -21.4 | 0 | 0 | 0 | 110.8 | S128 Q129 C131 T138 F367 E370 | S128-F136 CarbonylContact C-O 3.59Å; S128-F136 WeakPolarHBondContact CA-O 3.33Å; Q129-F136 PolarHBondContact N-O 2.61Å; Q129-F136 PolarHBondContact O-N 2.91Å; C131-F136 HydrophobicContact CB-CD2 3.77Å; C131-F136 HydrophobicContact CB-CE2 3.61Å; C131-F136 HydrophobicContact CB-CZ 4.29Å; C131-F136 VanDerWaalsContact SG-CD2 3.51Å; F136-T138 PolarHBondContact O-N 2.69Å; F136-F367 HydrophobicContact CE1-CE1 4.44Å; F136-E370 CarbonylContact C-O 3.58Å; F136-E370 HydrophobicContact CB-CB 4.23Å; F136-E370 WeakPolarHBondContact CB-O 3.3Å; F136-E370 HydrophobicContact CD1-CB 3.81Å; F136-E370 HydrophobicContact CD1-CG 4.39Å; F136-E370 HydrophobicContact CD2-CB 4.1Å; F136-E370 HydrophobicContact CD2-CG 4.14Å; F136-E370 HydrophobicContact CE1-CB 4.16Å; F136-E370 HydrophobicContact CE1-CG 4.33Å; F136-E370 HydrophobicContact CE2-CB 4.43Å; F136-E370 HydrophobicContact CE2-CG 4.07Å; F136-E370 HydrophobicContact CG-CB 3.79Å; F136-E370 HydrophobicContact CG-CG 4.32Å; F136-E370 HydrophobicContact CZ-CB 4.47Å; F136-E370 HydrophobicContact CZ-CG 4.17Å |
| 137 | S | 87.5 | Confident | 82.2 | Confident | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | trans | -91.2 | 75.8 | -179.9 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | W127 S128 E370 M371 Q373 | W127-S137 CarbonylContact O-C 3.59Å; W127-S137 WeakPolarHBondContact O-CA 3.45Å; S128-S137 WeakPolarHBondContact OG-CB 3.38Å; S128-S137 PolarHBondContact OG-OG 2.98Å; S137-E370 CarbonylContact C-O 3.57Å; S137-E370 PolarHBondContact N-O 3.28Å; S137-M371 PolarHBondContact N-SD 3.47Å; S137-M371 CarbonylContact O-C 3.59Å; S137-Q373 VanDerWaalsContact O-CG 3.29Å; S137-Q373 WeakPolarHBondContact O-CG 3.29Å; S137-Q373 PolarHBondContact O-N 2.89Å; S137-Q373 VanDerWaalsContact O-N 3.12Å | ||
| 138 | T | 87.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | trans | -79.1 | -24.5 | -178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | W127 F136 T157 E370 S372 Q373 I374 | W127-T138 WeakPolarHBondContact CZ3-OG1 3.48Å; W127-T138 PolarHBondContact O-N 3.15Å; F136-T138 PolarHBondContact O-N 2.69Å; T138-T157 WeakPolarHBondContact CG2-O 3.47Å; T138-T157 PolarHBondContact O-OG1 2.79Å; T138-E370 VanDerWaalsContact CG2-O 3.28Å; T138-E370 WeakPolarHBondContact CG2-O 3.37Å; T138-E370 PolarHBondContact N-O 2.93Å; T138-S372 PolarHBondContact O-OG 3.34Å; T138-Q373 CarbonylContact O-C 3.44Å; T138-Q373 WeakPolarHBondContact O-CA 3.31Å; T138-Q373 PolarHBondContact O-N 2.78Å; T138-Q373 VanDerWaalsContact O-N 3.08Å; T138-I374 WeakPolarHBondContact O-CG2 3.37Å; T138-I374 PolarHBondContact O-N 3Å | ||
| 139 | G | 90.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 82 | 160.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | A124 W127 I374 | A124-G139 WeakPolarHBondContact O-CA 3.37Å; W127-G139 PolarHBondContact O-N 3.37Å; W127-G139 VanDerWaalsContact O-N 3.13Å; G139-I374 VanDerWaalsContact C-CG2 3.41Å; G139-I374 WeakPolarHBondContact O-CG2 3.47Å | ||
| 140 | I | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149.6 | 177.4 | -170.2 | 157.2 | 0 | 0 | 0 | 110.9 | L96 V99 A124 W127 T153 A155 | L96-I140 HydrophobicContact CD1-CG2 4.5Å; L96-I140 HydrophobicContact CD2-CD1 3.84Å; L96-I140 HydrophobicContact CD2-CG1 4.15Å; L96-I140 HydrophobicContact CD2-CG2 3.86Å; V99-I140 HydrophobicContact CG1-CD1 4.49Å; V99-I140 HydrophobicContact CG2-CD1 3.84Å; A124-I140 HydrophobicContact CB-CG2 3.81Å; A124-I140 PolarHBondContact N-O 3.4Å; A124-I140 PolarHBondContact O-N 2.95Å; A124-I140 VanDerWaalsContact O-N 3.1Å; W127-I140 HydrophobicContact CB-CB 4.19Å; W127-I140 HydrophobicContact CB-CG2 3.5Å; W127-I140 HydrophobicContact CD2-CB 4.28Å; W127-I140 HydrophobicContact CD2-CG2 4.17Å; W127-I140 HydrophobicContact CE3-CB 4.49Å; W127-I140 HydrophobicContact CG-CB 4.12Å; W127-I140 HydrophobicContact CG-CG2 3.53Å; I140-T153 HydrophobicContact CD1-CG2 4.43Å; I140-A155 HydrophobicContact CD1-CB 4.02Å; I140-A155 HydrophobicContact CG1-CB 4.01Å |
| 141 | C | 92.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.9 | 170.5 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L121 A122 C123 T153 I154 F387 | L121-C141 HydrophobicContact CD1-CB 3.81Å; L121-C141 HydrophobicContact CD2-CB 4.28Å; L121-C141 HydrophobicContact CG-CB 4.07Å; A122-C141 CarbonylContact O-C 3.51Å; A122-C141 WeakPolarHBondContact O-CA 3.13Å; C123-C141 HydrophobicContact CB-CB 4.05Å; C123-C141 WeakPolarHBondContact CB-SG 3.41Å; C123-C141 WeakPolarHBondContact SG-CB 3.03Å; C123-C141 CovalentContact SG-SG 2.04Å; C123-C141 PolarHBondContact SG-SG 2.99Å; C141-T153 CarbonylContact O-C 3.52Å; C141-T153 WeakPolarHBondContact O-CA 3.17Å; C141-I154 HydrophobicContact CB-CB 4.34Å; C141-I154 PolarHBondContact N-O 3.14Å; C141-I154 PolarHBondContact O-N 3.23Å; C141-F387 HydrophobicContact CB-CE1 4.38Å |
| 142 | A | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A95 L121 A122 V144 | A95-A142 HydrophobicContact CB-CB 3.71Å; L121-A142 WeakPolarHBondContact CA-O 3.38Å; A122-A142 PolarHBondContact N-O 3.46Å; A122-A142 PolarHBondContact O-N 3.03Å; A142-V144 HydrophobicContact CB-CG2 4.31Å |
| 143 | S | 91.4 | Very high | 85.9 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.3 | 166 | 171.8 | 0 | 0 | 0 | 0 | 108 | D115 R151 G152 | D115-S143 PolarHBondContact OD2-OG 3.06Å; D115-S143 VanDerWaalsContact OD2-OG 3.08Å; S143-R151 PolarHBondContact O-N 2.79Å; S143-G152 PolarHBondContact N-O 3.1Å |
| 144 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.8 | -171.7 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L91 G119 F120 A142 | L91-V144 HydrophobicContact CD1-CG1 4.48Å; L91-V144 HydrophobicContact CD1-CG2 3.89Å; L91-V144 HydrophobicContact CD2-CG1 4.09Å; L91-V144 HydrophobicContact CD2-CG2 4.03Å; G119-V144 CarbonylContact C-O 3.23Å; G119-V144 WeakPolarHBondContact CA-O 3.33Å; F120-V144 HydrophobicContact CD1-CB 4.15Å; F120-V144 HydrophobicContact CD1-CG1 4.37Å; F120-V144 HydrophobicContact CD2-CB 4.47Å; F120-V144 HydrophobicContact CE1-CB 3.76Å; F120-V144 HydrophobicContact CE1-CG1 3.58Å; F120-V144 HydrophobicContact CE2-CB 4.12Å; F120-V144 HydrophobicContact CE2-CG1 4.46Å; F120-V144 HydrophobicContact CE2-CG2 4.15Å; F120-V144 HydrophobicContact CG-CB 4.49Å; F120-V144 HydrophobicContact CZ-CB 3.76Å; F120-V144 HydrophobicContact CZ-CG1 3.64Å; F120-V144 HydrophobicContact CZ-CG2 4.12Å; F120-V144 PolarHBondContact N-O 3.47Å; F120-V144 PolarHBondContact O-N 3.15Å; A142-V144 HydrophobicContact CB-CG2 4.31Å |
| 145 | G | 91.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -77.3 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D147 L148 E149 R151 | G145-D147 PolarHBondContact O-N 3.49Å; G145-L148 WeakPolarHBondContact O-CA 3.46Å; G145-L148 PolarHBondContact O-N 2.98Å; G145-E149 PolarHBondContact N-O 3.09Å; G145-R151 VanDerWaalsContact CA-CZ 3.45Å | ||
| 146 | D | 89.6 | Confident | 88.7 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25 | 172.6 | -76.3 | -2.2 | 0 | 0 | 0 | 113.3 | H48 A50 G119 L148 | H48-D146 IonicContact CE1-OD1 2.81Å; H48-D146 PolarHBondContact CE1-OD1 3.03Å; H48-D146 VanDerWaalsContact CE1-OD1 3.22Å; H48-D146 IonicContact NE2-OD1 3.44Å; A50-D146 HydrophobicContact CB-CB 3.71Å; G119-D146 VanDerWaalsContact CA-OD1 3.27Å; G119-D146 WeakPolarHBondContact CA-OD1 3.47Å; G119-D146 PolarHBondContact N-OD1 3.39Å; D146-L148 PolarHBondContact O-N 2.92Å |
| 147 | D | 88.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 33.3 Ų | 33.3 | 60% | 0.604 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -0.6 | 170.8 | 61.9 | -12.2 | 0 | 0 | 0 | 113.2 | G145 E149 | G145-D147 PolarHBondContact O-N 3.49Å; D147-E149 PolarHBondContact O-N 3.05Å; D147-E149 PolarHBondContact OD1-N 3.08Å |
| 148 | L | 89.7 | Confident | 88.2 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 63.5 | 16.8 | -175.9 | -51.5 | 177.5 | 0 | 0 | 0 | 113.9 | L57 K75 V89 F120 G145 D146 | L57-L148 HydrophobicContact CD2-CD2 4.32Å; K75-L148 HydrophobicContact CB-CD1 4.37Å; K75-L148 HydrophobicContact CD-CD1 3.73Å; K75-L148 HydrophobicContact CG-CD1 4.36Å; V89-L148 HydrophobicContact CG1-CB 3.86Å; V89-L148 HydrophobicContact CG1-CD1 4.44Å; V89-L148 HydrophobicContact CG2-CD1 4.27Å; F120-L148 HydrophobicContact CE1-CD2 3.76Å; F120-L148 HydrophobicContact CZ-CD2 4.36Å; G145-L148 WeakPolarHBondContact O-CA 3.46Å; G145-L148 PolarHBondContact O-N 2.98Å; D146-L148 PolarHBondContact O-N 2.92Å |
| 149 | E | 90.1 | Very high | 87.2 | Confident | 116 Ų | 116 | 38.6 Ų | 38.6 | 54% | 0.542 | 21% | 0.207 | S | C | . | . | trans | -93.5 | 140.1 | 176.1 | -69.6 | -66.6 | 159.1 | 0 | 0 | 111 | G145 D147 R151 | G145-E149 PolarHBondContact N-O 3.09Å; D147-E149 PolarHBondContact O-N 3.05Å; D147-E149 PolarHBondContact OD1-N 3.08Å; E149-R151 PolarHBondContact O-N 3.17Å | ||
| 150 | P | 88.2 | Confident | 85.9 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.1 | 176.4 | -16.6 | 29.2 | 0 | 0 | 0 | 111.3 | L91 A95 | L91-P150 HydrophobicContact CD2-CG 4.09Å; A95-P150 HydrophobicContact CB-CB 3.81Å; A95-P150 HydrophobicContact CB-CG 3.68Å |
| 151 | R | 88 | Confident | 84.5 | Confident | 137 Ų | 137 | 49.3 Ų | 49.3 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -33.4 | 174.9 | -67.2 | 179.6 | 176.1 | 165.4 | 2 | 112.2 | D118 S143 G145 E149 | D118-R151 PolarHBondContact O-NH1 2.83Å; S143-R151 PolarHBondContact O-N 2.79Å; G145-R151 VanDerWaalsContact CA-CZ 3.45Å; E149-R151 PolarHBondContact O-N 3.17Å |
| 152 | G | 86.5 | Confident | 82.6 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S143 | S143-G152 PolarHBondContact N-O 3.1Å |
| 153 | T | 87.8 | Confident | 80.9 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.4 | 175.2 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | A95 L96 I140 C141 | A95-T153 WeakPolarHBondContact O-CG2 3.29Å; L96-T153 HydrophobicContact CD2-CG2 4.36Å; I140-T153 HydrophobicContact CD1-CG2 4.43Å; C141-T153 CarbonylContact O-C 3.52Å; C141-T153 WeakPolarHBondContact O-CA 3.17Å |
| 154 | I | 88.3 | Confident | 79.9 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.3 | 179.3 | -65 | 162.4 | 0 | 0 | 0 | 107.5 | L121 C141 P156 F387 E402 | L121-I154 HydrophobicContact CD1-CD1 3.81Å; C141-I154 HydrophobicContact CB-CB 4.34Å; C141-I154 PolarHBondContact N-O 3.14Å; C141-I154 PolarHBondContact O-N 3.23Å; I154-P156 HydrophobicContact CG2-CG 4.46Å; I154-F387 HydrophobicContact CD1-CZ 4.36Å; I154-F387 HydrophobicContact CG2-CE2 4.22Å; I154-F387 HydrophobicContact CG2-CZ 3.85Å; I154-E402 WeakPolarHBondContact CD1-OE2 3.24Å; I154-E402 WeakPolarHBondContact CG1-OE2 3.39Å; I154-E402 WeakPolarHBondContact CG2-OE2 3.43Å |
| 155 | A | 87.1 | Confident | 79.4 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | trans | -143.2 | 58.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I140 T157 E158 | I140-A155 HydrophobicContact CD1-CB 4.02Å; I140-A155 HydrophobicContact CG1-CB 4.01Å; A155-T157 PolarHBondContact O-N 3.13Å; A155-E158 HydrophobicContact CB-CB 4.04Å; A155-E158 VanDerWaalsContact O-CB 3.28Å; A155-E158 WeakPolarHBondContact O-CB 3.38Å; A155-E158 PolarHBondContact O-N 3.44Å | ||
| 156 | P | 83.7 | Confident | 79.4 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 29% | 0.286 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.5 | -173 | 29 | -37.2 | 0 | 0 | 0 | 114 | I154 I374 L400 V407 | I154-P156 HydrophobicContact CG2-CG 4.46Å; P156-I374 HydrophobicContact CG-CD1 3.4Å; P156-L400 HydrophobicContact CB-CD1 4.1Å; P156-L400 HydrophobicContact CG-CD1 3.6Å; P156-L400 HydrophobicContact CG-CD2 3.93Å; P156-L400 HydrophobicContact CG-CG 4.46Å; P156-V407 HydrophobicContact CB-CG1 3.93Å; P156-V407 HydrophobicContact CB-CG2 4.1Å |
| 157 | T | 82.3 | Confident | 79.5 | Confident | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.5 | 176.1 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | T138 A155 Q159 S372 L400 | T138-T157 WeakPolarHBondContact CG2-O 3.47Å; T138-T157 PolarHBondContact O-OG1 2.79Å; A155-T157 PolarHBondContact O-N 3.13Å; T157-Q159 PolarHBondContact O-N 2.04Å; T157-S372 WeakPolarHBondContact CB-OG 3.47Å; T157-S372 PolarHBondContact OG1-OG 2.85Å; T157-L400 HydrophobicContact CG2-CD1 3.96Å |
| 158 | E | 76.6 | Confident | 79.8 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | trans | -61.8 | 110.9 | 172.3 | -173.1 | -176.8 | 177.9 | 0 | 0 | 109.3 | W127 A155 | W127-E158 HydrophobicContact CH2-CG 4.19Å; W127-E158 HydrophobicContact CZ3-CG 4.33Å; A155-E158 HydrophobicContact CB-CB 4.04Å; A155-E158 VanDerWaalsContact O-CB 3.28Å; A155-E158 WeakPolarHBondContact O-CB 3.38Å; A155-E158 PolarHBondContact O-N 3.44Å | ||
| 159 | Q | 65.9 | Low | 80.2 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | trans | -91.7 | 138.3 | 174.6 | -65.4 | -172.3 | 0.7 | 0 | 0 | 109.6 | Q129 T157 C161 E370 | Q129-Q159 PolarHBondContact OE1-O 3.06Å; T157-Q159 PolarHBondContact O-N 2.04Å; Q159-C161 PolarHBondContact O-N 2.9Å; Q159-E370 PolarHBondContact NE2-OE1 2.82Å; Q159-E370 PolarHBondContact OE1-OE1 2.8Å | ||
| 160 | K | 61.6 | Low | 80.5 | Confident | 181 Ų | 181 | 46.8 Ų | 46.8 | 79% | 0.787 | 24% | 0.241 | S | C | * | . | trans | -66.8 | 126.6 | 160.8 | -65.5 | -179.4 | -178.8 | 177.5 | 0 | 106.6 | Q162 | K160-Q162 WeakPolarHBondContact O-CG 3.49Å; K160-Q162 PolarHBondContact O-N 2.74Å | ||
| 161 | C | 61.6 | Low | 80.8 | Confident | 44 Ų | 44 | 45 Ų | 45 | 30% | 0.297 | 23% | 0.229 | S | C | . | . | trans | -47.9 | 108 | 175.1 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | C131 Q159 | C131-C161 WeakPolarHBondContact CA-SG 3.42Å; C131-C161 HydrophobicContact CB-CB 3.63Å; C131-C161 WeakPolarHBondContact CB-SG 3.43Å; C131-C161 VanDerWaalsContact SG-CA 3.58Å; C131-C161 WeakPolarHBondContact SG-CB 3.29Å; C131-C161 CovalentContact SG-SG 2.04Å; C131-C161 PolarHBondContact SG-SG 3.43Å; Q159-C161 PolarHBondContact O-N 2.9Å | ||
| 162 | Q | 52.7 | Low | 81.1 | Confident | 130 Ų | 130 | 38.5 Ų | 38.5 | 61% | 0.607 | 21% | 0.205 | S | C | * | . | trans | -96.1 | 140.2 | 178.6 | -70.5 | -167.7 | 1.2 | 0 | 0 | 109.5 | K160 | K160-Q162 WeakPolarHBondContact O-CG 3.49Å; K160-Q162 PolarHBondContact O-N 2.74Å | ||
| 163 | T | 55.5 | Low | 81.3 | Confident | 37 Ų | 37 | 37 Ų | 37 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | trans | 80.7 | 93.1 | 172.9 | 72.5 | 0 | 0 | 0 | 0 | 117.6 | L360 | T163-L360 HydrophobicContact CG2-CD2 3.99Š| ||
| 164 | F | 71.2 | Confident | 81.5 | Confident | 93 Ų | 93 | 33.9 Ų | 33.9 | 41% | 0.408 | 17% | 0.17 | S | C | . | . | trans | -73.5 | 153 | 155.9 | -41.4 | -62.7 | 0 | 0 | 0 | 108.8 | D199 Q200 A266 T267 | F164-D199 VanDerWaalsContact CD1-C 3.49Å; F164-D199 WeakPolarHBondContact CD1-O 3.4Å; F164-D199 WeakPolarHBondContact CE1-O 3.11Å; F164-Q200 CarbonylContact C-O 3.54Å; F164-Q200 WeakPolarHBondContact CA-O 3.47Å; F164-Q200 VanDerWaalsContact CB-O 3.26Å; F164-Q200 WeakPolarHBondContact CB-O 3.34Å; F164-A266 CarbonylContact O-C 3.57Å; F164-A266 WeakPolarHBondContact O-CA 3.38Å; F164-A266 WeakPolarHBondContact O-CB 3.33Å; F164-T267 PolarHBondContact O-N 3.16Å | ||
| 165 | M | 81.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138 | -176.6 | -64.3 | -159 | -70.5 | 0 | 0 | 113.4 | Q200 M201 Q202 R263 T267 I353 L356 E357 | M165-Q200 PolarHBondContact N-O 2.74Å; M165-M201 HydrophobicContact CE-CE 3.45Å; M165-M201 VanDerWaalsContact CE-CE 3.45Å; M165-M201 HydrophobicContact CE-SD 4.44Å; M165-M201 WeakPolarHBondContact O-CA 3.39Å; M165-Q202 PolarHBondContact O-N 3.48Å; M165-R263 VanDerWaalsContact C-NH2 3.34Å; M165-R263 PolarHBondContact O-NH2 3.42Å; M165-T267 WeakPolarHBondContact CA-O 3.36Å; M165-I353 HydrophobicContact CE-CG2 4.17Å; M165-L356 HydrophobicContact SD-CB 4.26Å; M165-E357 HydrophobicContact CE-CG 3.23Å; M165-E357 WeakPolarHBondContact CE-OE1 3.41Å; M165-E357 HydrophobicContact SD-CG 4.04Å |
| 166 | D | 90.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.4 | 174 | -67.4 | -6.1 | 0 | 0 | 0 | 108.6 | L218 F256 A262 R263 T267 K268 V269 | D166-L218 HydrophobicContact CB-CD1 3.88Å; D166-L218 HydrophobicContact CB-CD2 4.01Å; D166-F256 HydrophobicContact CB-CD1 4.47Å; D166-F256 HydrophobicContact CB-CE1 4.25Å; D166-F256 WeakPolarHBondContact O-CE1 3.28Å; D166-A262 VanDerWaalsContact OD2-CA 3.27Å; D166-A262 WeakPolarHBondContact OD2-CA 2.94Å; D166-R263 IonicContact OD1-CZ 3.24Å; D166-R263 VanDerWaalsContact OD1-CZ 3.22Å; D166-R263 IonicContact OD1-NE 2.7Å; D166-R263 PolarHBondContact OD1-NE 3.25Å; D166-R263 IonicContact OD1-NH2 2.78Å; D166-R263 PolarHBondContact OD1-NH2 3.29Å; D166-R263 PolarHBondContact OD2-N 3.01Å; D166-T267 PolarHBondContact N-O 3Å; D166-K268 WeakPolarHBondContact O-CA 3.47Å; D166-V269 PolarHBondContact O-N 2.76Å |
| 167 | I | 92.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.3 | -175.6 | -52.7 | 178.8 | 0 | 0 | 0 | 109.4 | I169 F194 Q202 V203 G204 L218 V269 I271 I353 | I167-I169 HydrophobicContact CG2-CG1 4.36Å; I167-F194 HydrophobicContact CD1-CD1 4.47Å; I167-F194 HydrophobicContact CD1-CD2 4.18Å; I167-F194 HydrophobicContact CD1-CE1 4.28Å; I167-F194 HydrophobicContact CD1-CE2 3.97Å; I167-F194 HydrophobicContact CD1-CG 4.44Å; I167-F194 HydrophobicContact CD1-CZ 4.03Å; I167-Q202 PolarHBondContact N-O 2.79Å; I167-V203 HydrophobicContact CB-CG1 4.37Å; I167-V203 HydrophobicContact CB-CG2 4.29Å; I167-V203 CarbonylContact O-C 3.5Å; I167-V203 VanDerWaalsContact O-CA 3.25Å; I167-V203 WeakPolarHBondContact O-CA 3.46Å; I167-G204 PolarHBondContact O-N 2.67Å; I167-L218 WeakPolarHBondContact O-CD2 3.44Å; I167-V269 CarbonylContact C-O 3.52Å; I167-V269 VanDerWaalsContact CA-O 3.27Å; I167-V269 WeakPolarHBondContact CA-O 3.45Å; I167-V269 HydrophobicContact CG1-CB 4.33Å; I167-I271 HydrophobicContact CG2-CD1 4.11Å; I167-I271 HydrophobicContact CG2-CG1 4.43Å; I167-I353 HydrophobicContact CD1-CG2 4.18Å |
| 168 | V | 96 | Very high | 81.6 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.9 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | V170 G204 L206 L218 A251 A255 F256 V269 M270 I271 | V168-V170 HydrophobicContact CG1-CG2 4.29Å; V168-G204 WeakPolarHBondContact CA-O 3.43Å; V168-L206 HydrophobicContact CG1-CB 4.5Å; V168-L218 HydrophobicContact CG2-CD1 4.48Å; V168-L218 HydrophobicContact CG2-CD2 4.26Å; V168-L218 HydrophobicContact CG2-CG 4.42Å; V168-A251 HydrophobicContact CG1-CB 4.37Å; V168-A255 HydrophobicContact CB-CB 4.36Å; V168-A255 HydrophobicContact CG1-CB 3.71Å; V168-A255 HydrophobicContact CG2-CB 3.82Å; V168-F256 HydrophobicContact CB-CE1 4.21Å; V168-F256 HydrophobicContact CB-CE2 3.8Å; V168-F256 HydrophobicContact CB-CZ 3.56Å; V168-F256 HydrophobicContact CG2-CD1 4.06Å; V168-F256 HydrophobicContact CG2-CD2 4.27Å; V168-F256 HydrophobicContact CG2-CE1 3.58Å; V168-F256 HydrophobicContact CG2-CE2 3.82Å; V168-F256 HydrophobicContact CG2-CG 4.38Å; V168-F256 HydrophobicContact CG2-CZ 3.45Å; V168-F256 VanDerWaalsContact CG2-CZ 3.45Å; V168-V269 PolarHBondContact N-O 2.91Å; V168-M270 CarbonylContact O-C 3.58Å; V168-M270 VanDerWaalsContact O-CA 3.27Å; V168-M270 WeakPolarHBondContact O-CA 3.35Å; V168-I271 PolarHBondContact O-N 2.82Å |
| 169 | I | 96.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.5 | 176.5 | -51.2 | -179.4 | 0 | 0 | 0 | 108.6 | I167 L187 I190 L191 G204 I205 L206 I271 | I167-I169 HydrophobicContact CG2-CG1 4.36Å; I169-L187 HydrophobicContact CD1-CD2 3.97Å; I169-L187 HydrophobicContact CG2-CD2 3.83Å; I169-I190 HydrophobicContact CD1-CG2 4.34Å; I169-L191 HydrophobicContact CD1-CD2 4.3Å; I169-G204 PolarHBondContact N-O 2.97Å; I169-I205 HydrophobicContact CB-CG1 4.28Å; I169-I205 WeakPolarHBondContact O-CA 3.5Å; I169-L206 PolarHBondContact O-N 3.44Å; I169-I271 CarbonylContact C-O 3.54Å; I169-I271 WeakPolarHBondContact CA-O 3.48Å; I169-I271 HydrophobicContact CG1-CB 4.34Å; I169-I271 HydrophobicContact CG1-CD1 4.26Å; I169-I271 HydrophobicContact CG2-CB 4.32Å |
| 170 | V | 96.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 108.9 | 177.7 | -176 | 0 | 0 | 0 | 0 | 108 | V168 L206 Y208 A247 A251 M270 I271 V272 V273 | V168-V170 HydrophobicContact CG1-CG2 4.29Å; V170-L206 CarbonylContact C-O 3.55Å; V170-L206 VanDerWaalsContact CA-O 3.26Å; V170-L206 WeakPolarHBondContact CA-O 3.19Å; V170-L206 HydrophobicContact CG1-CD2 4.23Å; V170-L206 HydrophobicContact CG2-CB 4.37Å; V170-L206 HydrophobicContact CG2-CD2 4.24Å; V170-Y208 HydrophobicContact CG1-CD1 3.73Å; V170-Y208 HydrophobicContact CG1-CE1 3.82Å; V170-A247 HydrophobicContact CG1-CB 3.86Å; V170-A251 HydrophobicContact CG2-CB 3.62Å; V170-M270 HydrophobicContact CG2-CG 3.84Å; V170-M270 HydrophobicContact CG2-SD 3.99Å; V170-I271 PolarHBondContact N-O 3.4Å; V170-V272 HydrophobicContact CB-CG2 4.36Å; V170-V272 CarbonylContact O-C 3.57Å; V170-V272 WeakPolarHBondContact O-CA 3.12Å; V170-V273 PolarHBondContact O-N 2.82Å |
| 171 | V | 95.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.4 | -170 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | G173 W180 V183 I205 L206 Q207 Y208 V273 | V171-G173 PolarHBondContact O-N 3.49Å; V171-W180 HydrophobicContact CG2-CH2 4.3Å; V171-V183 HydrophobicContact CG2-CG1 3.55Å; V171-I205 HydrophobicContact CG1-CG2 4.19Å; V171-L206 PolarHBondContact N-O 3.33Å; V171-Q207 HydrophobicContact CG1-CB 4.07Å; V171-Q207 HydrophobicContact CG1-CG 4.16Å; V171-Q207 CarbonylContact O-C 3.57Å; V171-Q207 WeakPolarHBondContact O-CA 3.37Å; V171-Y208 VanDerWaalsContact O-CD1 3.26Å; V171-Y208 WeakPolarHBondContact O-CD1 3.26Å; V171-Y208 PolarHBondContact O-N 3.44Å; V171-V273 HydrophobicContact CG2-CB 4.35Å |
| 172 | D | 93.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 119.9 | 175.1 | -170.3 | -20.3 | 0 | 0 | 0 | 110.5 | S174 I177 W180 Y208 T242 V273 T274 | D172-S174 WeakPolarHBondContact OD1-CB 3.46Å; D172-S174 PolarHBondContact OD1-N 3.02Å; D172-S174 PolarHBondContact OD1-OG 3.32Å; D172-I177 HydrophobicContact CB-CD1 4.46Å; D172-I177 HydrophobicContact CB-CG1 4.17Å; D172-W180 WeakPolarHBondContact O-CZ3 3.08Å; D172-Y208 HydrophobicContact CB-CE1 3.98Å; D172-T242 WeakPolarHBondContact OD2-CG2 3.17Å; D172-V273 VanDerWaalsContact CB-O 3.28Å; D172-V273 WeakPolarHBondContact CB-O 3.11Å; D172-V273 PolarHBondContact N-O 2.86Å; D172-T274 PolarHBondContact OD2-OG1 2.85Å |
| 173 | G | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -110 | 17.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V171 Y208 R236 E238 | V171-G173 PolarHBondContact O-N 3.49Å; G173-Y208 PolarHBondContact N-O 3.15Å; G173-R236 VanDerWaalsContact O-CG 3.28Å; G173-R236 WeakPolarHBondContact O-CG 3.29Å; G173-E238 PolarHBondContact O-N 3.1Å | ||
| 174 | S | 90.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -69.4 | 175.4 | -179.3 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | D172 S176 R236 T242 | D172-S174 WeakPolarHBondContact OD1-CB 3.46Å; D172-S174 PolarHBondContact OD1-N 3.02Å; D172-S174 PolarHBondContact OD1-OG 3.32Å; S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 3.27Å; S174-S176 PolarHBondContact OG-OG 2.96Å; S174-R236 PolarHBondContact O-NH1 3.45Å; S174-T242 PolarHBondContact OG-OG1 3.19Å |
| 175 | N | 88.1 | Confident | 90.7 | Very high | 74 Ų | 74 | 27.5 Ų | 27.5 | 40% | 0.396 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -72.4 | -15.1 | -177.7 | -78.2 | -45.2 | 0 | 0 | 0 | 114.9 | R236 G239 | N175-R236 PolarHBondContact OD1-NH2 2.93Å; N175-G239 VanDerWaalsContact CB-O 3.26Å; N175-G239 WeakPolarHBondContact CB-O 2.93Å; N175-G239 VanDerWaalsContact CG-O 3.24Å; N175-G239 PolarHBondContact N-O 3.15Å; N175-G239 PolarHBondContact ND2-N 2.85Å; N175-G239 PolarHBondContact ND2-O 2.85Å |
| 176 | S | 84.9 | Confident | 91.2 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -74.1 | -36.2 | 179.3 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | S174 Y178 D275 | S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 3.27Å; S174-S176 PolarHBondContact OG-OG 2.96Å; S176-Y178 PolarHBondContact O-N 2.82Å; S176-D275 WeakPolarHBondContact CB-OD1 3.36Å; S176-D275 WeakPolarHBondContact CB-OD2 3.16Å; S176-D275 VanDerWaalsContact O-OD2 3.09Å; S176-D275 PolarHBondContact OG-OD1 3.48Å; S176-D275 PolarHBondContact OG-OD2 2.94Å |
| 177 | I | 87.6 | Confident | 91.4 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -66 | 105.7 | 174.7 | -62.2 | -77.7 | 0 | 0 | 0 | 109.5 | D172 W180 V183 R236 D275 | D172-I177 HydrophobicContact CB-CD1 4.46Å; D172-I177 HydrophobicContact CB-CG1 4.17Å; I177-W180 HydrophobicContact CG2-CE3 3.82Å; I177-W180 HydrophobicContact CG2-CZ3 4.12Å; I177-V183 HydrophobicContact CG2-CG2 3.71Å; I177-R236 PolarHBondContact O-NH1 2.91Å; I177-D275 HydrophobicContact CD1-CB 3.41Å; I177-D275 VanDerWaalsContact CD1-CB 3.41Å; I177-D275 HydrophobicContact CG1-CB 4.28Å; I177-D275 WeakPolarHBondContact CG1-OD1 3.31Å; I177-D275 PolarHBondContact N-OD2 2.84Å; I177-D275 VanDerWaalsContact N-OD2 3.1Å |
| 178 | Y | 83.9 | Confident | 91.3 | Very high | 157 Ų | 157 | 27.9 Ų | 27.9 | 62% | 0.616 | 13% | 0.131 | S | C | * | . | trans | -154.6 | 130.7 | 177.6 | -177.1 | -87.9 | 0 | 0 | 0 | 111.8 | S176 R309 E339 | S176-Y178 PolarHBondContact O-N 2.82Å; Y178-R309 PolarHBondContact O-NH1 3.17Å; Y178-R309 PolarHBondContact O-NH2 2.93Å; Y178-E339 PolarHBondContact N-OE1 2.79Å; Y178-E339 VanDerWaalsContact O-CD 3.29Å | ||
| 179 | P | 90 | Very high | 91 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 20% | 0.195 | 15% | 0.148 | C | C | . | . | cis | -89 | 139.9 | 5.9 | 33.4 | -33.6 | 0 | 0 | 0 | 114 | Y181 E182 | P179-Y181 VanDerWaalsContact C-N 3.27Å; P179-Y181 HydrophobicContact CB-CD1 3.65Å; P179-Y181 HydrophobicContact CB-CE1 3.41Å; P179-Y181 VanDerWaalsContact CB-CE1 3.41Å; P179-Y181 HydrophobicContact CG-CD1 3.99Å; P179-Y181 HydrophobicContact CG-CE1 3.33Å; P179-Y181 PolarHBondContact O-N 3.44Å; P179-E182 HydrophobicContact CG-CG 4.08Å; P179-E182 PolarHBondContact O-N 3.03Å | ||
| 180 | W | 91.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 10% | 0.095 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -30.7 | -175.2 | -178.3 | -113 | 0 | 0 | 0 | 115.1 | V171 D172 I177 E182 V183 Q184 Q207 I234 R236 | V171-W180 HydrophobicContact CG2-CH2 4.3Å; D172-W180 WeakPolarHBondContact O-CZ3 3.08Å; I177-W180 HydrophobicContact CG2-CE3 3.82Å; I177-W180 HydrophobicContact CG2-CZ3 4.12Å; W180-E182 PolarHBondContact O-N 2.92Å; W180-E182 VanDerWaalsContact O-N 3.13Å; W180-V183 HydrophobicContact CE3-CB 4.12Å; W180-V183 HydrophobicContact CE3-CG1 4.42Å; W180-V183 HydrophobicContact CE3-CG2 4.28Å; W180-V183 HydrophobicContact CH2-CG1 4.05Å; W180-V183 HydrophobicContact CZ3-CB 4.15Å; W180-V183 HydrophobicContact CZ3-CG1 3.95Å; W180-V183 HydrophobicContact CZ3-CG2 4.35Å; W180-V183 WeakPolarHBondContact O-CB 3.47Å; W180-V183 PolarHBondContact O-N 3.48Å; W180-Q184 PolarHBondContact O-N 3.15Å; W180-Q207 HydrophobicContact CH2-CG 4.45Å; W180-I234 HydrophobicContact CZ2-CG2 3.97Å; W180-I234 PolarHBondContact NE1-O 3.03Å; W180-R236 HydrophobicContact CB-CB 4.25Å; W180-R236 HydrophobicContact CD2-CB 3.56Å; W180-R236 HydrophobicContact CD2-CG 3.83Å; W180-R236 HydrophobicContact CE3-CB 3.98Å; W180-R236 HydrophobicContact CE3-CG 3.67Å; W180-R236 HydrophobicContact CG-CB 3.68Å; W180-R236 HydrophobicContact CG-CG 4.26Å; W180-R236 HydrophobicContact CZ2-CB 4.45Å; W180-R236 HydrophobicContact CZ3-CG 4.1Å |
| 181 | Y | 90.6 | Very high | 90.3 | Very high | 120 Ų | 120 | 31.2 Ų | 31.2 | 47% | 0.471 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.9 | -23.5 | -175.9 | 76.1 | -97 | 0 | 0 | 0 | 112.6 | P179 Q184 N185 | P179-Y181 VanDerWaalsContact C-N 3.27Å; P179-Y181 HydrophobicContact CB-CD1 3.65Å; P179-Y181 HydrophobicContact CB-CE1 3.41Å; P179-Y181 VanDerWaalsContact CB-CE1 3.41Å; P179-Y181 HydrophobicContact CG-CD1 3.99Å; P179-Y181 HydrophobicContact CG-CE1 3.33Å; P179-Y181 PolarHBondContact O-N 3.44Å; Y181-Q184 PolarHBondContact O-N 3.19Å; Y181-N185 VanDerWaalsContact O-CG 3.28Å; Y181-N185 PolarHBondContact O-N 3.12Å; Y181-N185 PolarHBondContact O-ND2 3.26Å |
| 182 | E | 90.4 | Very high | 90 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.7 | -35.5 | 175.4 | -62.9 | -65.2 | 179.5 | 0 | 0 | 111.9 | P179 W180 N185 F186 E339 A340 | P179-E182 HydrophobicContact CG-CG 4.08Å; P179-E182 PolarHBondContact O-N 3.03Å; W180-E182 PolarHBondContact O-N 2.92Å; W180-E182 VanDerWaalsContact O-N 3.13Å; E182-N185 PolarHBondContact O-N 3.12Å; E182-F186 WeakPolarHBondContact O-CB 3.45Å; E182-F186 PolarHBondContact O-N 2.93Å; E182-E339 HydrophobicContact CB-CB 3.85Å; E182-E339 WeakPolarHBondContact CB-O 3.32Å; E182-E339 HydrophobicContact CG-CB 4.31Å; E182-A340 HydrophobicContact CG-CB 4.3Å |
| 183 | V | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 172.8 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | V171 I177 W180 N185 F186 L187 L342 | V171-V183 HydrophobicContact CG2-CG1 3.55Å; I177-V183 HydrophobicContact CG2-CG2 3.71Å; W180-V183 HydrophobicContact CE3-CB 4.12Å; W180-V183 HydrophobicContact CE3-CG1 4.42Å; W180-V183 HydrophobicContact CE3-CG2 4.28Å; W180-V183 HydrophobicContact CH2-CG1 4.05Å; W180-V183 HydrophobicContact CZ3-CB 4.15Å; W180-V183 HydrophobicContact CZ3-CG1 3.95Å; W180-V183 HydrophobicContact CZ3-CG2 4.35Å; W180-V183 WeakPolarHBondContact O-CB 3.47Å; W180-V183 PolarHBondContact O-N 3.48Å; V183-N185 VanDerWaalsContact C-N 3.33Å; V183-N185 PolarHBondContact O-N 2.95Å; V183-F186 PolarHBondContact O-N 2.98Å; V183-L187 HydrophobicContact CG1-CD1 4.34Å; V183-L187 HydrophobicContact CG1-CG 4.48Å; V183-L187 WeakPolarHBondContact O-CG 3.15Å; V183-L187 PolarHBondContact O-N 3.25Å; V183-L342 HydrophobicContact CG2-CD1 4.15Å |
| 184 | Q | 92 | Very high | 88.9 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.8 | -62 | 179.5 | -60.1 | 0 | 0 | 112 | W180 Y181 S188 K232 I234 | W180-Q184 PolarHBondContact O-N 3.15Å; Y181-Q184 PolarHBondContact O-N 3.19Å; Q184-S188 WeakPolarHBondContact O-CB 3.22Å; Q184-S188 PolarHBondContact O-N 3.48Å; Q184-S188 PolarHBondContact O-OG 2.84Å; Q184-K232 PolarHBondContact NE2-O 3.4Å; Q184-K232 VanDerWaalsContact NE2-O 3.16Å; Q184-I234 PolarHBondContact NE2-O 2.77Å |
| 185 | N | 90.9 | Very high | 88.3 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 175.4 | -74.4 | -22.3 | 0 | 0 | 0 | 111.2 | Y181 E182 V183 L187 S188 N189 | Y181-N185 VanDerWaalsContact O-CG 3.28Å; Y181-N185 PolarHBondContact O-N 3.12Å; Y181-N185 PolarHBondContact O-ND2 3.26Å; E182-N185 PolarHBondContact O-N 3.12Å; V183-N185 VanDerWaalsContact C-N 3.33Å; V183-N185 PolarHBondContact O-N 2.95Å; N185-L187 PolarHBondContact O-N 3.43Å; N185-S188 PolarHBondContact O-N 2.91Å; N185-N189 VanDerWaalsContact O-CB 3.29Å; N185-N189 WeakPolarHBondContact O-CB 3.14Å; N185-N189 PolarHBondContact O-N 2.69Å; N185-N189 PolarHBondContact O-ND2 2.69Å |
| 186 | F | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56 | -51.5 | 175.9 | 166.4 | -106.8 | 0 | 0 | 0 | 111.5 | E182 V183 S188 N189 I190 V273 I301 L342 N343 I345 V346 L349 | E182-F186 WeakPolarHBondContact O-CB 3.45Å; E182-F186 PolarHBondContact O-N 2.93Å; V183-F186 PolarHBondContact O-N 2.98Å; F186-S188 PolarHBondContact O-N 2.85Å; F186-N189 PolarHBondContact O-N 3.49Å; F186-I190 HydrophobicContact CE2-CD1 4.37Å; F186-I190 HydrophobicContact CZ-CD1 4.07Å; F186-I190 VanDerWaalsContact O-CG2 3.3Å; F186-I190 WeakPolarHBondContact O-CG2 3.42Å; F186-I190 PolarHBondContact O-N 3.41Å; F186-V273 HydrophobicContact CE1-CG2 4.07Å; F186-I301 HydrophobicContact CZ-CD1 3.84Å; F186-L342 HydrophobicContact CB-CB 3.87Å; F186-L342 HydrophobicContact CB-CD1 4.41Å; F186-L342 HydrophobicContact CD2-CB 3.84Å; F186-L342 VanDerWaalsContact CD2-O 3.23Å; F186-L342 WeakPolarHBondContact CD2-O 3.42Å; F186-L342 HydrophobicContact CG-CB 3.88Å; F186-L342 HydrophobicContact CG-CD1 4.45Å; F186-N343 PolarHBondContact N-OD1 3.41Å; F186-I345 HydrophobicContact CE2-CD1 4.44Å; F186-I345 HydrophobicContact CE2-CG1 4.36Å; F186-V346 HydrophobicContact CD2-CG2 3.76Å; F186-V346 HydrophobicContact CE2-CG2 4.08Å; F186-L349 HydrophobicContact CE2-CD2 4.44Å; F186-L349 HydrophobicContact CZ-CD2 4.13Å |
| 187 | L | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 177.3 | -68.9 | 177 | 0 | 0 | 0 | 111.3 | I169 V183 N185 N189 I190 L191 I205 A231 I234 | I169-L187 HydrophobicContact CD1-CD2 3.97Å; I169-L187 HydrophobicContact CG2-CD2 3.83Å; V183-L187 HydrophobicContact CG1-CD1 4.34Å; V183-L187 HydrophobicContact CG1-CG 4.48Å; V183-L187 WeakPolarHBondContact O-CG 3.15Å; V183-L187 PolarHBondContact O-N 3.25Å; N185-L187 PolarHBondContact O-N 3.43Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 2.78Å; L187-I190 WeakPolarHBondContact O-CG2 3.44Å; L187-L191 HydrophobicContact CB-CD1 4.48Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 WeakPolarHBondContact O-CD1 3.23Å; L187-L191 WeakPolarHBondContact O-CG 3.39Å; L187-L191 PolarHBondContact O-N 2.92Å; L187-I205 HydrophobicContact CD1-CD1 4.08Å; L187-I205 HydrophobicContact CD2-CD1 4.06Å; L187-A231 HydrophobicContact CB-CB 4.18Å; L187-I234 HydrophobicContact CD1-CD1 3.9Å |
| 188 | S | 91.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Q184 N185 F186 S192 K232 | Q184-S188 WeakPolarHBondContact O-CB 3.22Å; Q184-S188 PolarHBondContact O-N 3.48Å; Q184-S188 PolarHBondContact O-OG 2.84Å; N185-S188 PolarHBondContact O-N 2.91Å; F186-S188 PolarHBondContact O-N 2.85Å; S188-S192 WeakPolarHBondContact O-CB 3.38Å; S188-S192 PolarHBondContact O-N 3.08Å; S188-S192 VanDerWaalsContact O-N 3.1Å; S188-K232 WeakPolarHBondContact OG-CG 3.47Å |
| 189 | N | 89.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.4 | -45.6 | -177.5 | -72.4 | -24.1 | 0 | 0 | 0 | 111.7 | N185 F186 L187 S192 N343 V346 | N185-N189 VanDerWaalsContact O-CB 3.29Å; N185-N189 WeakPolarHBondContact O-CB 3.14Å; N185-N189 PolarHBondContact O-N 2.69Å; N185-N189 PolarHBondContact O-ND2 2.69Å; F186-N189 PolarHBondContact O-N 3.49Å; L187-N189 VanDerWaalsContact C-N 3.33Å; L187-N189 PolarHBondContact O-N 2.78Å; N189-S192 PolarHBondContact O-N 2.74Å; N189-S192 PolarHBondContact O-OG 3.44Å; N189-N343 PolarHBondContact ND2-OD1 3.04Å; N189-V346 HydrophobicContact CB-CG1 4.24Å; N189-V346 HydrophobicContact CB-CG2 4.08Å |
| 190 | I | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 177.6 | -164.4 | 177.6 | 0 | 0 | 0 | 111.7 | I169 F186 L187 S192 K193 F194 I271 V346 L349 | I169-I190 HydrophobicContact CD1-CG2 4.34Å; F186-I190 HydrophobicContact CE2-CD1 4.37Å; F186-I190 HydrophobicContact CZ-CD1 4.07Å; F186-I190 VanDerWaalsContact O-CG2 3.3Å; F186-I190 WeakPolarHBondContact O-CG2 3.42Å; F186-I190 PolarHBondContact O-N 3.41Å; L187-I190 WeakPolarHBondContact O-CG2 3.44Å; I190-S192 PolarHBondContact O-N 3.02Å; I190-K193 WeakPolarHBondContact O-CB 3.22Å; I190-K193 PolarHBondContact O-N 2.99Å; I190-F194 HydrophobicContact CD1-CE2 4.42Å; I190-F194 HydrophobicContact CD1-CZ 4.04Å; I190-F194 HydrophobicContact CG1-CE1 4.49Å; I190-F194 HydrophobicContact CG1-CE2 4.01Å; I190-F194 HydrophobicContact CG1-CZ 3.74Å; I190-I271 HydrophobicContact CD1-CD1 4.13Å; I190-V346 HydrophobicContact CB-CG1 4.34Å; I190-L349 HydrophobicContact CD1-CD2 3.49Å; I190-L349 VanDerWaalsContact CD1-CD2 3.49Å; I190-L349 HydrophobicContact CD1-CG 3.99Å |
| 191 | L | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 178.1 | -68.1 | 167.6 | 0 | 0 | 0 | 112 | I169 L187 K193 F194 I196 V203 I205 W216 T224 V227 V228 A231 | I169-L191 HydrophobicContact CD1-CD2 4.3Å; L187-L191 HydrophobicContact CB-CD1 4.48Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 WeakPolarHBondContact O-CD1 3.23Å; L187-L191 WeakPolarHBondContact O-CG 3.39Å; L187-L191 PolarHBondContact O-N 2.92Å; L191-K193 PolarHBondContact O-N 2.83Å; L191-F194 HydrophobicContact CD2-CD2 4.17Å; L191-F194 PolarHBondContact O-N 2.74Å; L191-F194 VanDerWaalsContact O-N 3.16Å; L191-I196 HydrophobicContact CD2-CD1 4.44Å; L191-V203 HydrophobicContact CD2-CB 4.19Å; L191-V203 HydrophobicContact CD2-CG1 3.58Å; L191-V203 HydrophobicContact CD2-CG2 4.29Å; L191-I205 HydrophobicContact CD1-CD1 4.29Å; L191-W216 HydrophobicContact CD1-CZ2 4.45Å; L191-T224 WeakPolarHBondContact O-CG2 3.25Å; L191-V227 HydrophobicContact CB-CG1 4.44Å; L191-V227 HydrophobicContact CD1-CG1 3.67Å; L191-V227 HydrophobicContact CD2-CG1 3.79Å; L191-V227 HydrophobicContact CG-CG1 4.16Å; L191-V228 HydrophobicContact CB-CG2 3.95Å; L191-A231 HydrophobicContact CD1-CB 3.55Å |
| 192 | S | 87.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.9 | -20.2 | 176.4 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | S188 N189 I190 | S188-S192 WeakPolarHBondContact O-CB 3.38Å; S188-S192 PolarHBondContact O-N 3.08Å; S188-S192 VanDerWaalsContact O-N 3.1Å; N189-S192 PolarHBondContact O-N 2.74Å; N189-S192 PolarHBondContact O-OG 3.44Å; I190-S192 PolarHBondContact O-N 3.02Å |
| 193 | K | 81.8 | Confident | 85.7 | Confident | 97 Ų | 97 | 33.5 Ų | 33.5 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -78 | -30.7 | 174.9 | -60.5 | -67.8 | -172 | 157.8 | 0 | 111.7 | I190 L191 V346 D347 F354 | I190-K193 WeakPolarHBondContact O-CB 3.22Å; I190-K193 PolarHBondContact O-N 2.99Å; L191-K193 PolarHBondContact O-N 2.83Å; K193-V346 HydrophobicContact CG-CG1 4.14Å; K193-D347 WeakPolarHBondContact CE-OD1 3.39Å; K193-D347 IonicContact NZ-OD1 3.7Å; K193-D347 PolarHBondContact NZ-OD1 2.86Å; K193-F354 HydrophobicContact CB-CE2 4.32Å; K193-F354 HydrophobicContact CB-CZ 4.25Å; K193-F354 VanDerWaalsContact O-CZ 3.3Å; K193-F354 WeakPolarHBondContact O-CZ 3.32Å |
| 194 | F | 82.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -77.9 | 140.6 | -175.1 | -60 | -32.6 | 0 | 0 | 0 | 113 | I167 I190 L191 I196 M201 V203 T224 I353 F354 | I167-F194 HydrophobicContact CD1-CD1 4.47Å; I167-F194 HydrophobicContact CD1-CD2 4.18Å; I167-F194 HydrophobicContact CD1-CE1 4.28Å; I167-F194 HydrophobicContact CD1-CE2 3.97Å; I167-F194 HydrophobicContact CD1-CG 4.44Å; I167-F194 HydrophobicContact CD1-CZ 4.03Å; I190-F194 HydrophobicContact CD1-CE2 4.42Å; I190-F194 HydrophobicContact CD1-CZ 4.04Å; I190-F194 HydrophobicContact CG1-CE1 4.49Å; I190-F194 HydrophobicContact CG1-CE2 4.01Å; I190-F194 HydrophobicContact CG1-CZ 3.74Å; L191-F194 HydrophobicContact CD2-CD2 4.17Å; L191-F194 PolarHBondContact O-N 2.74Å; L191-F194 VanDerWaalsContact O-N 3.16Å; F194-I196 HydrophobicContact CB-CD1 4.47Å; F194-I196 HydrophobicContact CB-CG1 3.99Å; F194-I196 PolarHBondContact O-N 2.86Å; F194-M201 HydrophobicContact CB-SD 3.68Å; F194-M201 HydrophobicContact CD1-SD 4.12Å; F194-M201 HydrophobicContact CG-SD 4.1Å; F194-V203 HydrophobicContact CD2-CG2 4.27Å; F194-T224 WeakPolarHBondContact O-CG2 2.99Å; F194-T224 PolarHBondContact O-OG1 2.8Å; F194-I353 HydrophobicContact CE1-CB 4.46Å; F194-I353 HydrophobicContact CE1-CD1 4.21Å; F194-I353 HydrophobicContact CE1-CG2 4.11Å; F194-I353 HydrophobicContact CZ-CD1 3.85Å; F194-F354 HydrophobicContact CD1-CE1 4.32Å; F194-F354 AromaticContact CD1-CZ 3.94Å; F194-F354 HydrophobicContact CD1-CZ 3.94Å; F194-F354 HydrophobicContact CE1-CZ 4.44Å |
| 195 | H | 76.6 | Confident | 86.1 | Confident | 97 Ų | 97 | 31.6 Ų | 31.6 | 45% | 0.449 | 17% | 0.172 | S | C | . | . | trans | -89.5 | 84.1 | 172.4 | -164.8 | 80 | 0 | 0 | 0 | 110.1 | T133 S197 Q200 M201 | T133-H195 HydrophobicContact CG2-CB 4.39Å; H195-S197 PolarHBondContact O-N 3.44Å; H195-Q200 PolarHBondContact CD2-OE1 2.04Å; H195-M201 WeakPolarHBondContact O-CB 3.37Å; H195-M201 PolarHBondContact O-N 3.15Å | ||
| 196 | I | 83.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 118.2 | -173.3 | -56.1 | -179.9 | 0 | 0 | 0 | 109.3 | L191 F194 M201 V203 Q222 T223 T224 V227 | L191-I196 HydrophobicContact CD2-CD1 4.44Å; F194-I196 HydrophobicContact CB-CD1 4.47Å; F194-I196 HydrophobicContact CB-CG1 3.99Å; F194-I196 PolarHBondContact O-N 2.86Å; I196-M201 WeakPolarHBondContact CA-O 3.21Å; I196-M201 WeakPolarHBondContact CG2-O 3.29Å; I196-V203 HydrophobicContact CD1-CB 4.27Å; I196-V203 HydrophobicContact CD1-CG2 3.68Å; I196-V203 HydrophobicContact CG1-CG2 3.99Å; I196-Q222 VanDerWaalsContact O-O 3.14Å; I196-T223 WeakPolarHBondContact O-CA 3.15Å; I196-T224 PolarHBondContact N-OG1 2.63Å; I196-T224 VanDerWaalsContact N-OG1 3.1Å; I196-V227 HydrophobicContact CD1-CB 3.72Å; I196-V227 HydrophobicContact CD1-CG1 3.85Å; I196-V227 HydrophobicContact CD1-CG2 3.73Å; I196-V227 HydrophobicContact CG2-CG2 4.17Å |
| 197 | S | 79.3 | Confident | 86.5 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 12% | 0.119 | 16% | 0.155 | C | C | . | . | trans | -157.5 | 157.9 | 176.6 | 75.4 | 0 | 0 | 0 | 0 | 111 | H195 D199 Q200 M201 Q222 | H195-S197 PolarHBondContact O-N 3.44Å; S197-D199 VanDerWaalsContact CB-OD1 3.25Å; S197-D199 WeakPolarHBondContact CB-OD1 3.45Å; S197-D199 PolarHBondContact O-N 2.68Å; S197-D199 VanDerWaalsContact O-N 3.11Å; S197-D199 PolarHBondContact OG-OD1 2.96Å; S197-Q200 PolarHBondContact O-N 2.82Å; S197-Q200 VanDerWaalsContact OG-CB 3.31Å; S197-Q200 WeakPolarHBondContact OG-CB 3.27Å; S197-Q200 PolarHBondContact OG-N 3.46Å; S197-M201 PolarHBondContact N-O 3.06Å; S197-M201 CarbonylContact O-C 3.58Å; S197-M201 PolarHBondContact O-N 2.96Å; S197-Q222 WeakPolarHBondContact CA-O 3.46Å | ||
| 198 | S | 76.9 | Confident | 86.6 | Confident | 71 Ų | 71 | 28.3 Ų | 28.3 | 50% | 0.497 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23 | 179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | R263 | S198-R263 PolarHBondContact O-NH1 3.41Š|
| 199 | D | 70 | Confident | 86.6 | Confident | 96 Ų | 96 | 27.9 Ų | 27.9 | 51% | 0.513 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.1 | -177.8 | 66.5 | -28.2 | 0 | 0 | 0 | 113.5 | F164 S197 | F164-D199 VanDerWaalsContact CD1-C 3.49Å; F164-D199 WeakPolarHBondContact CD1-O 3.4Å; F164-D199 WeakPolarHBondContact CE1-O 3.11Å; S197-D199 VanDerWaalsContact CB-OD1 3.25Å; S197-D199 WeakPolarHBondContact CB-OD1 3.45Å; S197-D199 PolarHBondContact O-N 2.68Å; S197-D199 VanDerWaalsContact O-N 3.11Å; S197-D199 PolarHBondContact OG-OD1 2.96Å |
| 200 | Q | 74.1 | Confident | 86.5 | Confident | 34 Ų | 34 | 28.7 Ų | 28.7 | 16% | 0.159 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -138.7 | -88.8 | 173 | -62.2 | -163.2 | -1.2 | 0 | 0 | 111.3 | G132 F164 M165 H195 S197 R263 | G132-Q200 VanDerWaalsContact CA-CD 3.44Å; G132-Q200 PolarHBondContact O-NE2 2.82Å; F164-Q200 CarbonylContact C-O 3.54Å; F164-Q200 WeakPolarHBondContact CA-O 3.47Å; F164-Q200 VanDerWaalsContact CB-O 3.26Å; F164-Q200 WeakPolarHBondContact CB-O 3.34Å; M165-Q200 PolarHBondContact N-O 2.74Å; H195-Q200 PolarHBondContact CD2-OE1 2.04Å; S197-Q200 PolarHBondContact O-N 2.82Å; S197-Q200 VanDerWaalsContact OG-CB 3.31Å; S197-Q200 WeakPolarHBondContact OG-CB 3.27Å; S197-Q200 PolarHBondContact OG-N 3.46Å; Q200-R263 PolarHBondContact O-NH1 2.82Å; Q200-R263 PolarHBondContact O-NH2 2.97Å |
| 201 | M | 84.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.6 | -178.3 | -56.1 | -178.3 | 175.9 | 0 | 0 | 112.7 | M165 F194 H195 I196 S197 F354 E357 | M165-M201 HydrophobicContact CE-CE 3.45Å; M165-M201 VanDerWaalsContact CE-CE 3.45Å; M165-M201 HydrophobicContact CE-SD 4.44Å; M165-M201 WeakPolarHBondContact O-CA 3.39Å; F194-M201 HydrophobicContact CB-SD 3.68Å; F194-M201 HydrophobicContact CD1-SD 4.12Å; F194-M201 HydrophobicContact CG-SD 4.1Å; H195-M201 WeakPolarHBondContact O-CB 3.37Å; H195-M201 PolarHBondContact O-N 3.15Å; I196-M201 WeakPolarHBondContact CA-O 3.21Å; I196-M201 WeakPolarHBondContact CG2-O 3.29Å; S197-M201 PolarHBondContact N-O 3.06Å; S197-M201 CarbonylContact O-C 3.58Å; S197-M201 PolarHBondContact O-N 2.96Å; M201-F354 HydrophobicContact CE-CD1 3.96Å; M201-F354 HydrophobicContact CE-CE1 3.62Å; M201-E357 HydrophobicContact CE-CG 4.39Å; M201-E357 WeakPolarHBondContact CE-OE1 3.27Å |
| 202 | Q | 90.6 | Very high | 86.7 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.9 | 168.3 | -72.4 | -178.5 | -15.5 | 0 | 0 | 109.5 | M165 I167 L218 G261 | M165-Q202 PolarHBondContact O-N 3.48Å; I167-Q202 PolarHBondContact N-O 2.79Å; Q202-L218 HydrophobicContact CB-CB 4.08Å; Q202-L218 HydrophobicContact CB-CD2 3.98Å; Q202-L218 WeakPolarHBondContact CB-O 3.39Å; Q202-L218 WeakPolarHBondContact O-CD2 3.34Å; Q202-G261 PolarHBondContact OE1-O 2.97Å |
| 203 | V | 93.4 | Very high | 87 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.6 | -176 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | I167 L191 F194 I196 W216 | I167-V203 HydrophobicContact CB-CG1 4.37Å; I167-V203 HydrophobicContact CB-CG2 4.29Å; I167-V203 CarbonylContact O-C 3.5Å; I167-V203 VanDerWaalsContact O-CA 3.25Å; I167-V203 WeakPolarHBondContact O-CA 3.46Å; L191-V203 HydrophobicContact CD2-CB 4.19Å; L191-V203 HydrophobicContact CD2-CG1 3.58Å; L191-V203 HydrophobicContact CD2-CG2 4.29Å; F194-V203 HydrophobicContact CD2-CG2 4.27Å; I196-V203 HydrophobicContact CD1-CB 4.27Å; I196-V203 HydrophobicContact CD1-CG2 3.68Å; I196-V203 HydrophobicContact CG1-CG2 3.99Å; V203-W216 VanDerWaalsContact O-CD1 3.27Å; V203-W216 PolarHBondContact O-NE1 2.94Å |
| 204 | G | 94.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I167 V168 I169 | I167-G204 PolarHBondContact O-N 2.67Å; V168-G204 WeakPolarHBondContact CA-O 3.43Å; I169-G204 PolarHBondContact N-O 2.97Å |
| 205 | I | 96.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.9 | 174.5 | -63.3 | -164.4 | 0 | 0 | 0 | 110.1 | I169 V171 L187 L191 E215 W216 I234 | I169-I205 HydrophobicContact CB-CG1 4.28Å; I169-I205 WeakPolarHBondContact O-CA 3.5Å; V171-I205 HydrophobicContact CG1-CG2 4.19Å; L187-I205 HydrophobicContact CD1-CD1 4.08Å; L187-I205 HydrophobicContact CD2-CD1 4.06Å; L191-I205 HydrophobicContact CD1-CD1 4.29Å; I205-E215 HydrophobicContact CB-CB 4.24Å; I205-E215 HydrophobicContact CG2-CB 4.18Å; I205-E215 HydrophobicContact CG2-CG 4.09Å; I205-E215 PolarHBondContact O-N 2.84Å; I205-W216 HydrophobicContact CB-CD2 4.27Å; I205-W216 HydrophobicContact CB-CE3 4.46Å; I205-W216 HydrophobicContact CB-CH2 4.27Å; I205-W216 HydrophobicContact CB-CZ2 4.01Å; I205-W216 HydrophobicContact CB-CZ3 4.46Å; I205-W216 HydrophobicContact CD1-CH2 3.36Å; I205-W216 HydrophobicContact CD1-CZ2 3.23Å; I205-W216 HydrophobicContact CD1-CZ3 4.25Å; I205-W216 HydrophobicContact CG1-CD2 4.45Å; I205-W216 HydrophobicContact CG1-CH2 3.88Å; I205-W216 HydrophobicContact CG1-CZ2 3.36Å; I205-W216 PolarHBondContact N-O 2.9Å; I205-I234 HydrophobicContact CD1-CD1 4.01Å; I205-I234 HydrophobicContact CG2-CD1 4.29Å |
| 206 | L | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.3 | 173.8 | -174.6 | 79.2 | 0 | 0 | 0 | 108.4 | V168 I169 V170 V171 A212 V213 H214 A247 M250 A251 | V168-L206 HydrophobicContact CG1-CB 4.5Å; I169-L206 PolarHBondContact O-N 3.44Å; V170-L206 CarbonylContact C-O 3.55Å; V170-L206 VanDerWaalsContact CA-O 3.26Å; V170-L206 WeakPolarHBondContact CA-O 3.19Å; V170-L206 HydrophobicContact CG1-CD2 4.23Å; V170-L206 HydrophobicContact CG2-CB 4.37Å; V170-L206 HydrophobicContact CG2-CD2 4.24Å; V171-L206 PolarHBondContact N-O 3.33Å; L206-A212 HydrophobicContact CD1-CB 4.4Å; L206-A212 HydrophobicContact CD2-CB 4.47Å; L206-V213 CarbonylContact C-O 3.57Å; L206-V213 WeakPolarHBondContact CA-O 3.49Å; L206-H214 HydrophobicContact CD1-CB 4.44Å; L206-A247 HydrophobicContact CD2-CB 4.5Å; L206-A247 VanDerWaalsContact CD2-O 3.27Å; L206-A247 WeakPolarHBondContact CD2-O 3.16Å; L206-M250 HydrophobicContact CD1-CG 4.43Å; L206-M250 HydrophobicContact CD1-SD 3.99Å; L206-M250 HydrophobicContact CD2-CB 4.39Å; L206-A251 HydrophobicContact CD2-CB 3.9Å |
| 207 | Q | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 143.2 | 173.5 | -173.2 | 174.8 | 171.8 | 0 | 0 | 109.7 | V171 W180 A212 V213 E215 S235 Q237 | V171-Q207 HydrophobicContact CG1-CB 4.07Å; V171-Q207 HydrophobicContact CG1-CG 4.16Å; V171-Q207 CarbonylContact O-C 3.57Å; V171-Q207 WeakPolarHBondContact O-CA 3.37Å; W180-Q207 HydrophobicContact CH2-CG 4.45Å; Q207-A212 CarbonylContact O-C 3.58Å; Q207-A212 WeakPolarHBondContact O-CA 3.32Å; Q207-V213 PolarHBondContact N-O 2.97Å; Q207-V213 PolarHBondContact O-N 2.83Å; Q207-E215 HydrophobicContact CB-CG 4.05Å; Q207-E215 PolarHBondContact NE2-OE1 2.84Å; Q207-S235 PolarHBondContact NE2-O 3.34Å; Q207-S235 PolarHBondContact OE1-O 2.89Å; Q207-Q237 HydrophobicContact CG-CB 4.27Å; Q207-Q237 PolarHBondContact O-OE1 3.31Å |
| 208 | Y | 94.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.7 | 179.5 | 77.6 | -79.8 | 0 | 0 | 0 | 114.5 | V170 V171 D172 G173 V211 T242 R243 T244 A247 T274 | V170-Y208 HydrophobicContact CG1-CD1 3.73Å; V170-Y208 HydrophobicContact CG1-CE1 3.82Å; V171-Y208 VanDerWaalsContact O-CD1 3.26Å; V171-Y208 WeakPolarHBondContact O-CD1 3.26Å; V171-Y208 PolarHBondContact O-N 3.44Å; D172-Y208 HydrophobicContact CB-CE1 3.98Å; G173-Y208 PolarHBondContact N-O 3.15Å; Y208-V211 WeakPolarHBondContact CA-O 3.12Å; Y208-T242 HydrophobicContact CE2-CG2 3.75Å; Y208-R243 WeakPolarHBondContact CD2-O 3.03Å; Y208-T244 VanDerWaalsContact CE2-CA 3.46Å; Y208-T244 HydrophobicContact CE2-CG2 4.42Å; Y208-T244 WeakPolarHBondContact CE2-OG1 3.27Å; Y208-T244 VanDerWaalsContact OH-CG2 3.31Å; Y208-T244 WeakPolarHBondContact OH-CG2 3.45Å; Y208-T244 PolarHBondContact OH-OG1 2.59Å; Y208-A247 HydrophobicContact CD1-CB 3.67Å; Y208-A247 HydrophobicContact CD2-CB 3.66Å; Y208-A247 HydrophobicContact CE1-CB 4.22Å; Y208-A247 HydrophobicContact CE2-CB 4.21Å; Y208-A247 HydrophobicContact CG-CB 3.35Å; Y208-T274 WeakPolarHBondContact OH-CB 3.36Å; Y208-T274 PolarHBondContact OH-OG1 2.76Å |
| 209 | A | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -150.7 | -103.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V211 E241 R243 | A209-V211 VanDerWaalsContact C-N 3.33Å; A209-V211 PolarHBondContact N-O 2.94Å; A209-E241 CarbonylContact C-O 3.16Å; A209-E241 WeakPolarHBondContact CA-O 3.27Å; A209-R243 WeakPolarHBondContact O-CB 3.25Å; A209-R243 PolarHBondContact O-N 2.83Å; A209-R243 VanDerWaalsContact O-N 3.12Å |
| 210 | E | 88.4 | Confident | 91.9 | Very high | 87 Ų | 87 | 30 Ų | 30 | 41% | 0.407 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -73.5 | -25.7 | 168.5 | -73.2 | 172.3 | -154.6 | 0 | 0 | 112.5 | R240 E241 | E210-R240 PolarHBondContact OE1-N 2.87Å; E210-E241 HydrophobicContact CG-CB 3.88Å; E210-E241 HydrophobicContact CG-CG 4.2Å |
| 211 | V | 89.4 | Confident | 92.7 | Very high | 84 Ų | 84 | 32.2 Ų | 32.2 | 51% | 0.509 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -134.3 | 158.2 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | Y208 A209 V213 Q237 | Y208-V211 WeakPolarHBondContact CA-O 3.12Å; A209-V211 VanDerWaalsContact C-N 3.33Å; A209-V211 PolarHBondContact N-O 2.94Å; V211-V213 HydrophobicContact CG2-CG2 4.37Å; V211-Q237 PolarHBondContact O-NE2 3.11Å; V211-Q237 PolarHBondContact O-OE1 2.05Å |
| 212 | A | 92.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L206 Q207 Y246 A247 M250 | L206-A212 HydrophobicContact CD1-CB 4.4Å; L206-A212 HydrophobicContact CD2-CB 4.47Å; Q207-A212 CarbonylContact O-C 3.58Å; Q207-A212 WeakPolarHBondContact O-CA 3.32Å; A212-Y246 HydrophobicContact CB-CD1 4.12Å; A212-Y246 HydrophobicContact CB-CE1 3.99Å; A212-A247 HydrophobicContact CB-CB 4.48Å; A212-M250 HydrophobicContact CB-CE 4.08Å; A212-M250 HydrophobicContact CB-SD 3.59Å; A212-M250 VanDerWaalsContact CB-SD 3.59Å |
| 213 | V | 93.8 | Very high | 92.5 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 38% | 0.376 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.2 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L206 Q207 V211 E215 | L206-V213 CarbonylContact C-O 3.57Å; L206-V213 WeakPolarHBondContact CA-O 3.49Å; Q207-V213 PolarHBondContact N-O 2.97Å; Q207-V213 PolarHBondContact O-N 2.83Å; V211-V213 HydrophobicContact CG2-CG2 4.37Å; V213-E215 PolarHBondContact O-N 2.84Å |
| 214 | H | 93.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.153 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 109.5 | 169.9 | -64.9 | -95.7 | 0 | 0 | 0 | 109.2 | L206 W216 E254 R260 | L206-H214 HydrophobicContact CD1-CB 4.44Å; H214-W216 VanDerWaalsContact C-N 3.27Å; H214-E254 IonicContact NE2-OE2 3.36Å; H214-R260 PolarHBondContact CD2-NH2 3.01Å; H214-R260 VanDerWaalsContact CD2-NH2 3.26Å; H214-R260 PolarHBondContact NE2-NE 2.89Å |
| 215 | E | 94.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | -40.2 | 171.3 | -64.5 | -62.3 | 158.5 | 0 | 0 | 109.9 | I205 Q207 V213 I234 | I205-E215 HydrophobicContact CB-CB 4.24Å; I205-E215 HydrophobicContact CG2-CB 4.18Å; I205-E215 HydrophobicContact CG2-CG 4.09Å; I205-E215 PolarHBondContact O-N 2.84Å; Q207-E215 HydrophobicContact CB-CG 4.05Å; Q207-E215 PolarHBondContact NE2-OE1 2.84Å; V213-E215 PolarHBondContact O-N 2.84Å; E215-I234 HydrophobicContact CG-CG2 4.11Å |
| 216 | W | 95.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 165.3 | 165.6 | 62 | 88 | 0 | 0 | 0 | 111.8 | L191 V203 I205 H214 D220 Y221 V227 A230 A231 I234 | L191-W216 HydrophobicContact CD1-CZ2 4.45Å; V203-W216 VanDerWaalsContact O-CD1 3.27Å; V203-W216 PolarHBondContact O-NE1 2.94Å; I205-W216 HydrophobicContact CB-CD2 4.27Å; I205-W216 HydrophobicContact CB-CE3 4.46Å; I205-W216 HydrophobicContact CB-CH2 4.27Å; I205-W216 HydrophobicContact CB-CZ2 4.01Å; I205-W216 HydrophobicContact CB-CZ3 4.46Å; I205-W216 HydrophobicContact CD1-CH2 3.36Å; I205-W216 HydrophobicContact CD1-CZ2 3.23Å; I205-W216 HydrophobicContact CD1-CZ3 4.25Å; I205-W216 HydrophobicContact CG1-CD2 4.45Å; I205-W216 HydrophobicContact CG1-CH2 3.88Å; I205-W216 HydrophobicContact CG1-CZ2 3.36Å; I205-W216 PolarHBondContact N-O 2.9Å; H214-W216 VanDerWaalsContact C-N 3.27Å; W216-D220 HydrophobicContact CB-CB 4.12Å; W216-Y221 HydrophobicContact CB-CD2 4.37Å; W216-Y221 HydrophobicContact CB-CE2 3.9Å; W216-Y221 AromaticContact CD1-CD2 3.79Å; W216-Y221 HydrophobicContact CD2-CD2 4.24Å; W216-Y221 AromaticContact CD2-CE2 3.79Å; W216-Y221 HydrophobicContact CD2-CE2 3.79Å; W216-Y221 HydrophobicContact CE3-CE2 4.2Å; W216-Y221 AromaticContact CG-CD2 3.91Å; W216-Y221 HydrophobicContact CG-CD2 3.91Å; W216-Y221 AromaticContact CG-CE2 3.65Å; W216-Y221 HydrophobicContact CG-CE2 3.65Å; W216-V227 HydrophobicContact CZ2-CG1 3.83Å; W216-A230 HydrophobicContact CE3-CB 4.41Å; W216-A230 HydrophobicContact CH2-CB 4.09Å; W216-A230 HydrophobicContact CZ3-CB 3.96Å; W216-A231 HydrophobicContact CH2-CB 4.17Å; W216-I234 HydrophobicContact CH2-CD1 3.64Å; W216-I234 HydrophobicContact CH2-CG1 4.25Å; W216-I234 HydrophobicContact CZ3-CD1 3.51Å; W216-I234 HydrophobicContact CZ3-CG1 3.74Å |
| 217 | S | 94.9 | Very high | 91.4 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | trans | -103.4 | 165.5 | -179 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | K219 D220 R260 | S217-K219 PolarHBondContact O-N 3.07Å; S217-K219 VanDerWaalsContact O-N 3.07Å; S217-D220 WeakPolarHBondContact CB-OD2 3.47Å; S217-D220 PolarHBondContact N-OD2 2.84Å; S217-D220 WeakPolarHBondContact O-CB 3.2Å; S217-D220 PolarHBondContact O-N 2.89Å; S217-D220 VanDerWaalsContact O-N 3.07Å; S217-R260 WeakPolarHBondContact CB-O 3.42Å; S217-R260 PolarHBondContact OG-NH1 2.8Å | ||
| 218 | L | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.4 | -175.9 | -69.4 | 165.2 | 0 | 0 | 0 | 114.2 | D166 I167 V168 Q202 F256 R260 A262 | D166-L218 HydrophobicContact CB-CD1 3.88Å; D166-L218 HydrophobicContact CB-CD2 4.01Å; I167-L218 WeakPolarHBondContact O-CD2 3.44Å; V168-L218 HydrophobicContact CG2-CD1 4.48Å; V168-L218 HydrophobicContact CG2-CD2 4.26Å; V168-L218 HydrophobicContact CG2-CG 4.42Å; Q202-L218 HydrophobicContact CB-CB 4.08Å; Q202-L218 HydrophobicContact CB-CD2 3.98Å; Q202-L218 WeakPolarHBondContact CB-O 3.39Å; Q202-L218 WeakPolarHBondContact O-CD2 3.34Å; L218-F256 HydrophobicContact CD1-CD1 4.37Å; L218-R260 PolarHBondContact N-O 3.33Å; L218-R260 VanDerWaalsContact N-O 3.15Å; L218-A262 HydrophobicContact CD1-CB 3.79Å |
| 219 | K | 90.5 | Very high | 91 | Very high | 116 Ų | 116 | 59.5 Ų | 59.5 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.7 | -179.1 | 66.5 | -174.7 | -176.9 | -173.2 | 0 | 115.4 | S217 E259 | S217-K219 PolarHBondContact O-N 3.07Å; S217-K219 VanDerWaalsContact O-N 3.07Å; K219-E259 PolarHBondContact NZ-O 2.93Å |
| 220 | D | 90.8 | Very high | 91 | Very high | 81 Ų | 81 | 60.2 Ų | 60.2 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.4 | -25.8 | -164.3 | -67.8 | -18.1 | 0 | 0 | 0 | 112.8 | W216 S217 | W216-D220 HydrophobicContact CB-CB 4.12Å; S217-D220 WeakPolarHBondContact CB-OD2 3.47Å; S217-D220 PolarHBondContact N-OD2 2.84Å; S217-D220 WeakPolarHBondContact O-CB 3.2Å; S217-D220 PolarHBondContact O-N 2.89Å; S217-D220 VanDerWaalsContact O-N 3.07Å |
| 221 | Y | 91.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 56 Ų | 56 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | trans | -129.2 | 148.2 | 177.9 | -63 | -67.2 | 0 | 0 | 0 | 111.4 | W216 E226 V227 A230 | W216-Y221 HydrophobicContact CB-CD2 4.37Å; W216-Y221 HydrophobicContact CB-CE2 3.9Å; W216-Y221 AromaticContact CD1-CD2 3.79Å; W216-Y221 HydrophobicContact CD2-CD2 4.24Å; W216-Y221 AromaticContact CD2-CE2 3.79Å; W216-Y221 HydrophobicContact CD2-CE2 3.79Å; W216-Y221 HydrophobicContact CE3-CE2 4.2Å; W216-Y221 AromaticContact CG-CD2 3.91Å; W216-Y221 HydrophobicContact CG-CD2 3.91Å; W216-Y221 AromaticContact CG-CE2 3.65Å; W216-Y221 HydrophobicContact CG-CE2 3.65Å; Y221-E226 HydrophobicContact CD1-CB 3.73Å; Y221-E226 HydrophobicContact CE1-CB 4.43Å; Y221-E226 HydrophobicContact CG-CB 4.37Å; Y221-V227 HydrophobicContact CD2-CG2 4.02Å; Y221-V227 HydrophobicContact CG-CG2 3.83Å; Y221-A230 HydrophobicContact CE1-CB 4.35Å; Y221-A230 HydrophobicContact CE2-CB 3.77Å; Y221-A230 WeakPolarHBondContact OH-CB 3.44Å | ||
| 222 | Q | 83.5 | Confident | 91.2 | Very high | 125 Ų | 125 | 56.8 Ų | 56.8 | 58% | 0.584 | 28% | 0.28 | S | S | * | . | trans | -121.8 | -3.3 | -174.1 | -63.6 | -171.8 | -5.4 | 0 | 0 | 113.8 | I196 S197 E226 | I196-Q222 VanDerWaalsContact O-O 3.14Å; S197-Q222 WeakPolarHBondContact CA-O 3.46Å; Q222-E226 PolarHBondContact N-OE2 3.38Å | ||
| 223 | T | 87.4 | Confident | 91.1 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 36% | 0.356 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -138.7 | 151.1 | -179.4 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | I196 Q225 E226 V227 | I196-T223 WeakPolarHBondContact O-CA 3.15Å; T223-Q225 PolarHBondContact O-N 2.9Å; T223-E226 PolarHBondContact N-OE2 2.81Å; T223-E226 PolarHBondContact O-N 2.87Å; T223-E226 VanDerWaalsContact OG1-CD 3.26Å; T223-E226 VanDerWaalsContact OG1-CG 3.25Å; T223-E226 WeakPolarHBondContact OG1-CG 3.14Å; T223-E226 PolarHBondContact OG1-N 2.78Å; T223-E226 PolarHBondContact OG1-OE2 2.89Å; T223-V227 PolarHBondContact O-N 2.95Å |
| 224 | T | 87.5 | Confident | 91 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 20% | 0.202 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -37.4 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | L191 F194 I196 E226 V227 V228 | L191-T224 WeakPolarHBondContact O-CG2 3.25Å; F194-T224 WeakPolarHBondContact O-CG2 2.99Å; F194-T224 PolarHBondContact O-OG1 2.8Å; I196-T224 PolarHBondContact N-OG1 2.63Å; I196-T224 VanDerWaalsContact N-OG1 3.1Å; T224-E226 PolarHBondContact O-N 2.84Å; T224-V227 PolarHBondContact O-N 3.12Å; T224-V228 HydrophobicContact CG2-CG2 4.17Å; T224-V228 WeakPolarHBondContact O-CB 3.47Å; T224-V228 VanDerWaalsContact O-CG2 3.25Å; T224-V228 WeakPolarHBondContact O-CG2 3.35Å; T224-V228 PolarHBondContact O-N 2.01Å |
| 225 | Q | 89.1 | Confident | 90.7 | Very high | 169 Ų | 169 | 61.7 Ų | 61.7 | 79% | 0.79 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.7 | -41.5 | -178.7 | -68.6 | -179.3 | -7.5 | 0 | 0 | 112.4 | T223 E229 | T223-Q225 PolarHBondContact O-N 2.9Å; Q225-E229 PolarHBondContact O-N 2.79Å |
| 226 | E | 90.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 179.3 | -71.3 | 167.3 | 170.7 | 0 | 0 | 111.6 | Y221 Q222 T223 T224 E229 A230 | Y221-E226 HydrophobicContact CD1-CB 3.73Å; Y221-E226 HydrophobicContact CE1-CB 4.43Å; Y221-E226 HydrophobicContact CG-CB 4.37Å; Q222-E226 PolarHBondContact N-OE2 3.38Å; T223-E226 PolarHBondContact N-OE2 2.81Å; T223-E226 PolarHBondContact O-N 2.87Å; T223-E226 VanDerWaalsContact OG1-CD 3.26Å; T223-E226 VanDerWaalsContact OG1-CG 3.25Å; T223-E226 WeakPolarHBondContact OG1-CG 3.14Å; T223-E226 PolarHBondContact OG1-N 2.78Å; T223-E226 PolarHBondContact OG1-OE2 2.89Å; T224-E226 PolarHBondContact O-N 2.84Å; E226-E229 PolarHBondContact O-N 3.15Å; E226-A230 WeakPolarHBondContact O-CB 2.86Å; E226-A230 PolarHBondContact O-N 3Å |
| 227 | V | 90.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | -178.3 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | L191 I196 W216 Y221 T223 T224 E229 A230 A231 | L191-V227 HydrophobicContact CB-CG1 4.44Å; L191-V227 HydrophobicContact CD1-CG1 3.67Å; L191-V227 HydrophobicContact CD2-CG1 3.79Å; L191-V227 HydrophobicContact CG-CG1 4.16Å; I196-V227 HydrophobicContact CD1-CB 3.72Å; I196-V227 HydrophobicContact CD1-CG1 3.85Å; I196-V227 HydrophobicContact CD1-CG2 3.73Å; I196-V227 HydrophobicContact CG2-CG2 4.17Å; W216-V227 HydrophobicContact CZ2-CG1 3.83Å; Y221-V227 HydrophobicContact CD2-CG2 4.02Å; Y221-V227 HydrophobicContact CG-CG2 3.83Å; T223-V227 PolarHBondContact O-N 2.95Å; T224-V227 PolarHBondContact O-N 3.12Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.1Å; V227-A230 PolarHBondContact O-N 3.07Å; V227-A231 WeakPolarHBondContact O-CB 3.43Å; V227-A231 PolarHBondContact O-N 2.84Å |
| 228 | V | 91.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 14% | 0.139 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L191 T224 A231 K232 | L191-V228 HydrophobicContact CB-CG2 3.95Å; T224-V228 HydrophobicContact CG2-CG2 4.17Å; T224-V228 WeakPolarHBondContact O-CB 3.47Å; T224-V228 VanDerWaalsContact O-CG2 3.25Å; T224-V228 WeakPolarHBondContact O-CG2 3.35Å; T224-V228 PolarHBondContact O-N 2.01Å; V228-A231 PolarHBondContact O-N 3.41Å; V228-K232 PolarHBondContact O-N 3.29Å |
| 229 | E | 91.1 | Very high | 89.2 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73 | -33.8 | 177.8 | -164.9 | 64 | -171.1 | 0 | 0 | 112.4 | Q225 E226 V227 K232 N233 | Q225-E229 PolarHBondContact O-N 2.79Å; E226-E229 PolarHBondContact O-N 3.15Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 3.1Å; E229-K232 IonicContact OE2-NZ 3.79Å; E229-K232 PolarHBondContact OE2-NZ 3.18Å; E229-N233 PolarHBondContact O-ND2 2.98Å; E229-N233 VanDerWaalsContact O-ND2 3.08Å |
| 230 | A | 92 | Very high | 88.8 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W216 Y221 E226 V227 K232 N233 | W216-A230 HydrophobicContact CE3-CB 4.41Å; W216-A230 HydrophobicContact CH2-CB 4.09Å; W216-A230 HydrophobicContact CZ3-CB 3.96Å; Y221-A230 HydrophobicContact CE1-CB 4.35Å; Y221-A230 HydrophobicContact CE2-CB 3.77Å; Y221-A230 WeakPolarHBondContact OH-CB 3.44Å; E226-A230 WeakPolarHBondContact O-CB 2.86Å; E226-A230 PolarHBondContact O-N 3Å; V227-A230 PolarHBondContact O-N 3.07Å; A230-K232 PolarHBondContact O-N 3.31Å; A230-N233 PolarHBondContact O-N 3.17Å |
| 231 | A | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -38.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L187 L191 W216 V227 V228 N233 I234 | L187-A231 HydrophobicContact CB-CB 4.18Å; L191-A231 HydrophobicContact CD1-CB 3.55Å; W216-A231 HydrophobicContact CH2-CB 4.17Å; V227-A231 WeakPolarHBondContact O-CB 3.43Å; V227-A231 PolarHBondContact O-N 2.84Å; V228-A231 PolarHBondContact O-N 3.41Å; A231-N233 PolarHBondContact O-N 2.84Å; A231-I234 PolarHBondContact O-N 2.94Å |
| 232 | K | 90.1 | Very high | 88.5 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -23.1 | 176 | -68.5 | 175.4 | -164.6 | 157.4 | 0 | 113.7 | Q184 S188 V228 E229 A230 | Q184-K232 PolarHBondContact NE2-O 3.4Å; Q184-K232 VanDerWaalsContact NE2-O 3.16Å; S188-K232 WeakPolarHBondContact OG-CG 3.47Å; V228-K232 PolarHBondContact O-N 3.29Å; E229-K232 IonicContact OE2-NZ 3.79Å; E229-K232 PolarHBondContact OE2-NZ 3.18Å; A230-K232 PolarHBondContact O-N 3.31Å |
| 233 | N | 89.8 | Confident | 89 | Confident | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 1.9 | -174.7 | -68.9 | -43.7 | 0 | 0 | 0 | 113.6 | E229 A230 A231 S235 | E229-N233 PolarHBondContact O-ND2 2.98Å; E229-N233 VanDerWaalsContact O-ND2 3.08Å; A230-N233 PolarHBondContact O-N 3.17Å; A231-N233 PolarHBondContact O-N 2.84Å; N233-S235 PolarHBondContact O-N 2.77Å |
| 234 | I | 91.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 120.4 | 177.7 | -59.7 | 174.6 | 0 | 0 | 0 | 110 | W180 Q184 L187 I205 E215 W216 A231 | W180-I234 HydrophobicContact CZ2-CG2 3.97Å; W180-I234 PolarHBondContact NE1-O 3.03Å; Q184-I234 PolarHBondContact NE2-O 2.77Å; L187-I234 HydrophobicContact CD1-CD1 3.9Å; I205-I234 HydrophobicContact CD1-CD1 4.01Å; I205-I234 HydrophobicContact CG2-CD1 4.29Å; E215-I234 HydrophobicContact CG-CG2 4.11Å; W216-I234 HydrophobicContact CH2-CD1 3.64Å; W216-I234 HydrophobicContact CH2-CG1 4.25Å; W216-I234 HydrophobicContact CZ3-CD1 3.51Å; W216-I234 HydrophobicContact CZ3-CG1 3.74Å; A231-I234 PolarHBondContact O-N 2.94Å |
| 235 | S | 89.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 144.1 | 171.4 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | Q207 N233 | Q207-S235 PolarHBondContact NE2-O 3.34Å; Q207-S235 PolarHBondContact OE1-O 2.89Å; N233-S235 PolarHBondContact O-N 2.77Å |
| 236 | R | 91.6 | Very high | 89.8 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -63 | 134.1 | 171.7 | -165.5 | 179.7 | 64.3 | 143 | 12.6 | 110.6 | G173 S174 N175 I177 W180 E238 | G173-R236 VanDerWaalsContact O-CG 3.28Å; G173-R236 WeakPolarHBondContact O-CG 3.29Å; S174-R236 PolarHBondContact O-NH1 3.45Å; N175-R236 PolarHBondContact OD1-NH2 2.93Å; I177-R236 PolarHBondContact O-NH1 2.91Å; W180-R236 HydrophobicContact CB-CB 4.25Å; W180-R236 HydrophobicContact CD2-CB 3.56Å; W180-R236 HydrophobicContact CD2-CG 3.83Å; W180-R236 HydrophobicContact CE3-CB 3.98Å; W180-R236 HydrophobicContact CE3-CG 3.67Å; W180-R236 HydrophobicContact CG-CB 3.68Å; W180-R236 HydrophobicContact CG-CG 4.26Å; W180-R236 HydrophobicContact CZ2-CB 4.45Å; W180-R236 HydrophobicContact CZ3-CG 4.1Å; R236-E238 IonicContact CZ-OE1 2.78Å; R236-E238 IonicContact NE-OE1 3.71Å; R236-E238 IonicContact NH2-OE1 3.64Å; R236-E238 PolarHBondContact NH2-OE1 2.98Å |
| 237 | Q | 86.1 | Confident | 90.1 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | trans | -70.6 | -33.2 | -177.3 | -173.4 | -179.9 | -32.2 | 0 | 0 | 113.1 | Q207 V211 | Q207-Q237 HydrophobicContact CG-CB 4.27Å; Q207-Q237 PolarHBondContact O-OE1 3.31Å; V211-Q237 PolarHBondContact O-NE2 3.11Å; V211-Q237 PolarHBondContact O-OE1 2.05Å | ||
| 238 | E | 83.1 | Confident | 90.3 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | trans | 65.4 | 132.3 | -174.5 | -40.1 | -162.5 | 131.7 | 0 | 0 | 113.3 | G173 R236 | G173-E238 PolarHBondContact O-N 3.1Å; R236-E238 IonicContact CZ-OE1 2.78Å; R236-E238 IonicContact NE-OE1 3.71Å; R236-E238 IonicContact NH2-OE1 3.64Å; R236-E238 PolarHBondContact NH2-OE1 2.98Å | ||
| 239 | G | 84.4 | Confident | 90.5 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | trans | -175.8 | 155.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N175 | N175-G239 VanDerWaalsContact CB-O 3.26Å; N175-G239 WeakPolarHBondContact CB-O 2.93Å; N175-G239 VanDerWaalsContact CG-O 3.24Å; N175-G239 PolarHBondContact N-O 3.15Å; N175-G239 PolarHBondContact ND2-N 2.85Å; N175-G239 PolarHBondContact ND2-O 2.85Å | ||
| 240 | R | 83.1 | Confident | 90.7 | Very high | 219 Ų | 219 | 54.2 Ų | 54.2 | 83% | 0.826 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -93.4 | -16.9 | -180 | -66.9 | -176.5 | 178.8 | 177 | 1.5 | 113.5 | E210 | E210-R240 PolarHBondContact OE1-N 2.87Š|
| 241 | E | 86.7 | Confident | 90.8 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | trans | -111.9 | 155.5 | 176.9 | -57.8 | -179.4 | 176 | 0 | 0 | 110.5 | A209 E210 R243 H279 | A209-E241 CarbonylContact C-O 3.16Å; A209-E241 WeakPolarHBondContact CA-O 3.27Å; E210-E241 HydrophobicContact CG-CB 3.88Å; E210-E241 HydrophobicContact CG-CG 4.2Å; E241-R243 IonicContact OE2-CZ 3.19Å; E241-R243 IonicContact OE2-NE 3.07Å; E241-R243 PolarHBondContact OE2-NE 3.43Å; E241-R243 IonicContact OE2-NH2 2.67Å; E241-R243 PolarHBondContact OE2-NH2 3.21Å; E241-H279 HydrophobicContact CB-CB 4.4Å | ||
| 242 | T | 89 | Confident | 90.9 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -118.2 | 98.8 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 108 | D172 S174 Y208 T244 S278 H279 | D172-T242 WeakPolarHBondContact OD2-CG2 3.17Å; S174-T242 PolarHBondContact OG-OG1 3.19Å; Y208-T242 HydrophobicContact CE2-CG2 3.75Å; T242-T244 PolarHBondContact O-N 3.17Å; T242-S278 WeakPolarHBondContact O-CA 3.42Å; T242-H279 PolarHBondContact N-ND1 2.88Å; T242-H279 PolarHBondContact O-N 2.96Å | ||
| 243 | R | 93.4 | Very high | 91.1 | Very high | 103 Ų | 103 | 50.9 Ų | 50.9 | 39% | 0.389 | 24% | 0.237 | S | C | . | . | trans | -97 | 74.8 | -179 | -66.3 | -171.2 | -178.3 | -161 | -2.9 | 112 | Y208 A209 E241 A247 D280 | Y208-R243 WeakPolarHBondContact CD2-O 3.03Å; A209-R243 WeakPolarHBondContact O-CB 3.25Å; A209-R243 PolarHBondContact O-N 2.83Å; A209-R243 VanDerWaalsContact O-N 3.12Å; E241-R243 IonicContact OE2-CZ 3.19Å; E241-R243 IonicContact OE2-NE 3.07Å; E241-R243 PolarHBondContact OE2-NE 3.43Å; E241-R243 IonicContact OE2-NH2 2.67Å; E241-R243 PolarHBondContact OE2-NH2 3.21Å; R243-A247 PolarHBondContact O-N 3.42Å; R243-D280 VanDerWaalsContact CA-OD1 3.31Å; R243-D280 WeakPolarHBondContact CA-OD1 2.97Å; R243-D280 WeakPolarHBondContact CA-OD2 3.45Å; R243-D280 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 244 | T | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.1 | -38.7 | -173.2 | -49.6 | 0 | 0 | 0 | 0 | 112 | Y208 T242 Y246 A247 I248 V272 S278 D280 I324 | Y208-T244 VanDerWaalsContact CE2-CA 3.46Å; Y208-T244 HydrophobicContact CE2-CG2 4.42Å; Y208-T244 WeakPolarHBondContact CE2-OG1 3.27Å; Y208-T244 VanDerWaalsContact OH-CG2 3.31Å; Y208-T244 WeakPolarHBondContact OH-CG2 3.45Å; Y208-T244 PolarHBondContact OH-OG1 2.59Å; T242-T244 PolarHBondContact O-N 3.17Å; T244-Y246 PolarHBondContact O-N 2.79Å; T244-A247 PolarHBondContact O-N 2.94Å; T244-I248 HydrophobicContact CG2-CD1 3.86Å; T244-I248 HydrophobicContact CG2-CG1 4.4Å; T244-I248 WeakPolarHBondContact O-CG1 3.07Å; T244-I248 PolarHBondContact O-N 2.93Å; T244-V272 HydrophobicContact CG2-CG1 4.17Å; T244-S278 WeakPolarHBondContact CA-OG 3.35Å; T244-S278 WeakPolarHBondContact CB-OG 3.45Å; T244-S278 PolarHBondContact N-OG 2.76Å; T244-S278 PolarHBondContact OG1-OG 3.49Å; T244-D280 PolarHBondContact N-OD1 3.27Å; T244-D280 VanDerWaalsContact N-OD1 3.13Å; T244-I324 HydrophobicContact CG2-CD1 3.82Å |
| 245 | A | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 49 Ų | 49 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A247 I248 Q249 S278 D280 E283 L284 | A245-A247 VanDerWaalsContact C-N 3.34Å; A245-A247 PolarHBondContact O-N 2.91Å; A245-I248 PolarHBondContact O-N 3.41Å; A245-Q249 WeakPolarHBondContact O-CB 3.29Å; A245-Q249 PolarHBondContact O-N 3.1Å; A245-S278 PolarHBondContact N-OG 2.69Å; A245-D280 HydrophobicContact CB-CB 4.43Å; A245-D280 WeakPolarHBondContact CB-O 2.92Å; A245-D280 PolarHBondContact N-OD1 2.68Å; A245-D280 PolarHBondContact N-OD2 2.92Å; A245-E283 HydrophobicContact CB-CB 4.02Å; A245-L284 HydrophobicContact CB-CB 4.18Å; A245-L284 HydrophobicContact CB-CD1 3.86Å |
| 246 | Y | 94.2 | Very high | 91.7 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -41 | 174.8 | -178.9 | -105.8 | 0 | 0 | 0 | 113 | A212 T244 Q249 M250 D280 | A212-Y246 HydrophobicContact CB-CD1 4.12Å; A212-Y246 HydrophobicContact CB-CE1 3.99Å; T244-Y246 PolarHBondContact O-N 2.79Å; Y246-Q249 PolarHBondContact O-N 2.87Å; Y246-M250 HydrophobicContact CE1-CE 3.55Å; Y246-M250 HydrophobicContact CE2-CE 4.44Å; Y246-M250 VanDerWaalsContact CZ-CE 3.48Å; Y246-M250 WeakPolarHBondContact O-CB 3.39Å; Y246-M250 PolarHBondContact O-N 3.08Å; Y246-M250 WeakPolarHBondContact OH-CE 3.07Å; Y246-D280 WeakPolarHBondContact CB-OD2 3.3Å; Y246-D280 PolarHBondContact N-OD2 2.79Å |
| 247 | A | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V170 L206 Y208 A212 R243 T244 A245 M250 A251 | V170-A247 HydrophobicContact CG1-CB 3.86Å; L206-A247 HydrophobicContact CD2-CB 4.5Å; L206-A247 VanDerWaalsContact CD2-O 3.27Å; L206-A247 WeakPolarHBondContact CD2-O 3.16Å; Y208-A247 HydrophobicContact CD1-CB 3.67Å; Y208-A247 HydrophobicContact CD2-CB 3.66Å; Y208-A247 HydrophobicContact CE1-CB 4.22Å; Y208-A247 HydrophobicContact CE2-CB 4.21Å; Y208-A247 HydrophobicContact CG-CB 3.35Å; A212-A247 HydrophobicContact CB-CB 4.48Å; R243-A247 PolarHBondContact O-N 3.42Å; T244-A247 PolarHBondContact O-N 2.94Å; A245-A247 VanDerWaalsContact C-N 3.34Å; A245-A247 PolarHBondContact O-N 2.91Å; A247-M250 PolarHBondContact O-N 2.98Å; A247-A251 WeakPolarHBondContact O-CB 3.43Å; A247-A251 PolarHBondContact O-N 3.39Å |
| 248 | I | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.3 | -70.4 | 166.9 | 0 | 0 | 0 | 110.4 | T244 A245 M250 A251 C252 M270 V272 L284 A287 L288 C291 I324 | T244-I248 HydrophobicContact CG2-CD1 3.86Å; T244-I248 HydrophobicContact CG2-CG1 4.4Å; T244-I248 WeakPolarHBondContact O-CG1 3.07Å; T244-I248 PolarHBondContact O-N 2.93Å; A245-I248 PolarHBondContact O-N 3.41Å; I248-M250 PolarHBondContact O-N 2.94Å; I248-A251 PolarHBondContact O-N 2.85Å; I248-C252 PolarHBondContact O-N 2.76Å; I248-M270 HydrophobicContact CG1-SD 4.34Å; I248-M270 HydrophobicContact CG2-SD 4.31Å; I248-V272 HydrophobicContact CD1-CG2 4.43Å; I248-V272 HydrophobicContact CG1-CG2 4.17Å; I248-L284 HydrophobicContact CD1-CD1 3.8Å; I248-A287 HydrophobicContact CB-CB 4.47Å; I248-A287 HydrophobicContact CG2-CB 4.19Å; I248-L288 HydrophobicContact CG2-CD2 4.39Å; I248-C291 WeakPolarHBondContact CG2-SG 3.48Å; I248-I324 HydrophobicContact CD1-CB 4.46Å; I248-I324 HydrophobicContact CD1-CD1 3.93Å; I248-I324 HydrophobicContact CD1-CG1 4.01Å; I248-I324 HydrophobicContact CD1-CG2 3.63Å |
| 249 | Q | 94.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 29% | 0.29 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.8 | -48.9 | 177.5 | -178.1 | 63.7 | 1.2 | 0 | 0 | 111 | A245 Y246 A251 C252 T253 A287 | A245-Q249 WeakPolarHBondContact O-CB 3.29Å; A245-Q249 PolarHBondContact O-N 3.1Å; Y246-Q249 PolarHBondContact O-N 2.87Å; Q249-A251 VanDerWaalsContact C-N 3.32Å; Q249-A251 PolarHBondContact O-N 2.81Å; Q249-C252 PolarHBondContact O-N 2.8Å; Q249-T253 PolarHBondContact O-N 2.94Å; Q249-T253 PolarHBondContact O-OG1 2.87Å; Q249-A287 HydrophobicContact CB-CB 4Å |
| 250 | M | 95.2 | Very high | 92.6 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 177.9 | -175.4 | 175.8 | -69.6 | 0 | 0 | 112.3 | L206 A212 Y246 A247 I248 E254 A255 | L206-M250 HydrophobicContact CD1-CG 4.43Å; L206-M250 HydrophobicContact CD1-SD 3.99Å; L206-M250 HydrophobicContact CD2-CB 4.39Å; A212-M250 HydrophobicContact CB-CE 4.08Å; A212-M250 HydrophobicContact CB-SD 3.59Å; A212-M250 VanDerWaalsContact CB-SD 3.59Å; Y246-M250 HydrophobicContact CE1-CE 3.55Å; Y246-M250 HydrophobicContact CE2-CE 4.44Å; Y246-M250 VanDerWaalsContact CZ-CE 3.48Å; Y246-M250 WeakPolarHBondContact O-CB 3.39Å; Y246-M250 PolarHBondContact O-N 3.08Å; Y246-M250 WeakPolarHBondContact OH-CE 3.07Å; A247-M250 PolarHBondContact O-N 2.98Å; I248-M250 PolarHBondContact O-N 2.94Å; M250-E254 HydrophobicContact CG-CB 4.3Å; M250-E254 HydrophobicContact CG-CG 4.36Å; M250-E254 WeakPolarHBondContact O-CA 3.48Å; M250-E254 VanDerWaalsContact O-CB 3.31Å; M250-E254 WeakPolarHBondContact O-CB 3.32Å; M250-E254 PolarHBondContact O-N 2.83Å; M250-A255 PolarHBondContact O-N 3.46Å |
| 251 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -62.9 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V168 V170 L206 A247 I248 Q249 A255 F256 M270 | V168-A251 HydrophobicContact CG1-CB 4.37Å; V170-A251 HydrophobicContact CG2-CB 3.62Å; L206-A251 HydrophobicContact CD2-CB 3.9Å; A247-A251 WeakPolarHBondContact O-CB 3.43Å; A247-A251 PolarHBondContact O-N 3.39Å; I248-A251 PolarHBondContact O-N 2.85Å; Q249-A251 VanDerWaalsContact C-N 3.32Å; Q249-A251 PolarHBondContact O-N 2.81Å; A251-A255 HydrophobicContact CB-CB 4.33Å; A251-A255 VanDerWaalsContact O-CB 3.29Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.43Å; A251-F256 VanDerWaalsContact O-CD2 3.27Å; A251-F256 WeakPolarHBondContact O-CD2 3.27Å; A251-F256 PolarHBondContact O-N 3.13Å; A251-F256 VanDerWaalsContact O-N 3.14Å; A251-M270 HydrophobicContact CB-CE 3.37Å; A251-M270 HydrophobicContact CB-SD 4.23Å |
| 252 | C | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -70.3 | -37.8 | -180 | -71 | 0 | 0 | 0 | 0 | 113.7 | I248 Q249 M270 E290 C291 R294 I296 | I248-C252 PolarHBondContact O-N 2.76Å; Q249-C252 PolarHBondContact O-N 2.8Å; C252-M270 WeakPolarHBondContact SG-CE 3.44Å; C252-E290 HydrophobicContact CB-CG 4.4Å; C252-C291 HydrophobicContact CB-CB 4.12Å; C252-C291 WeakPolarHBondContact CB-SG 3.42Å; C252-C291 WeakPolarHBondContact SG-CA 3.31Å; C252-C291 WeakPolarHBondContact SG-CB 3.25Å; C252-C291 CovalentContact SG-SG 2.02Å; C252-C291 PolarHBondContact SG-SG 3.19Å; C252-R294 VanDerWaalsContact O-CD 3.25Å; C252-R294 WeakPolarHBondContact O-CD 3.17Å; C252-R294 PolarHBondContact O-NH1 2.99Å; C252-I296 HydrophobicContact CB-CD1 3.88Å; C252-I296 VanDerWaalsContact SG-CD1 3.51Å |
| 253 | T | 93.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 27% | 0.27 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -85.9 | -42.3 | -178.6 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | Q249 E290 R294 | Q249-T253 PolarHBondContact O-N 2.94Å; Q249-T253 PolarHBondContact O-OG1 2.87Å; T253-E290 HydrophobicContact CG2-CG 3.8Å; T253-R294 PolarHBondContact O-NH1 3.04Å |
| 254 | E | 94.6 | Very high | 92.2 | Very high | 81 Ų | 81 | 45 Ų | 45 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -105.6 | -50.9 | -172.6 | -61.9 | -167.8 | -154.6 | 0 | 0 | 113.6 | H214 M250 F256 S257 R260 | H214-E254 IonicContact NE2-OE2 3.36Å; M250-E254 HydrophobicContact CG-CB 4.3Å; M250-E254 HydrophobicContact CG-CG 4.36Å; M250-E254 WeakPolarHBondContact O-CA 3.48Å; M250-E254 VanDerWaalsContact O-CB 3.31Å; M250-E254 WeakPolarHBondContact O-CB 3.32Å; M250-E254 PolarHBondContact O-N 2.83Å; E254-F256 VanDerWaalsContact C-N 3.3Å; E254-F256 PolarHBondContact O-N 2.97Å; E254-S257 WeakPolarHBondContact O-CB 3.38Å; E254-S257 PolarHBondContact O-N 2.88Å; E254-S257 PolarHBondContact O-OG 3Å; E254-R260 WeakPolarHBondContact O-CD 3.22Å; E254-R260 IonicContact OE2-NH2 3.67Å |
| 255 | A | 93.7 | Very high | 91.2 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -62.5 | -39 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V168 M250 A251 S257 | V168-A255 HydrophobicContact CB-CB 4.36Å; V168-A255 HydrophobicContact CG1-CB 3.71Å; V168-A255 HydrophobicContact CG2-CB 3.82Å; M250-A255 PolarHBondContact O-N 3.46Å; A251-A255 HydrophobicContact CB-CB 4.33Å; A251-A255 VanDerWaalsContact O-CB 3.29Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.43Å; A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.1Å |
| 256 | F | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 22.7 | 174.4 | -70.2 | -68.1 | 0 | 0 | 0 | 114.4 | D166 V168 L218 A251 E254 A262 K268 V269 M270 I296 | D166-F256 HydrophobicContact CB-CD1 4.47Å; D166-F256 HydrophobicContact CB-CE1 4.25Å; D166-F256 WeakPolarHBondContact O-CE1 3.28Å; V168-F256 HydrophobicContact CB-CE1 4.21Å; V168-F256 HydrophobicContact CB-CE2 3.8Å; V168-F256 HydrophobicContact CB-CZ 3.56Å; V168-F256 HydrophobicContact CG2-CD1 4.06Å; V168-F256 HydrophobicContact CG2-CD2 4.27Å; V168-F256 HydrophobicContact CG2-CE1 3.58Å; V168-F256 HydrophobicContact CG2-CE2 3.82Å; V168-F256 HydrophobicContact CG2-CG 4.38Å; V168-F256 HydrophobicContact CG2-CZ 3.45Å; V168-F256 VanDerWaalsContact CG2-CZ 3.45Å; L218-F256 HydrophobicContact CD1-CD1 4.37Å; A251-F256 VanDerWaalsContact O-CD2 3.27Å; A251-F256 WeakPolarHBondContact O-CD2 3.27Å; A251-F256 PolarHBondContact O-N 3.13Å; A251-F256 VanDerWaalsContact O-N 3.14Å; E254-F256 VanDerWaalsContact C-N 3.3Å; E254-F256 PolarHBondContact O-N 2.97Å; F256-A262 WeakPolarHBondContact O-CB 3.21Å; F256-K268 HydrophobicContact CB-CD 4.18Å; F256-K268 HydrophobicContact CD1-CB 3.85Å; F256-K268 HydrophobicContact CD1-CD 3.96Å; F256-K268 HydrophobicContact CD1-CG 3.79Å; F256-K268 HydrophobicContact CE1-CB 3.72Å; F256-K268 HydrophobicContact CE1-CG 4.1Å; F256-K268 HydrophobicContact CG-CB 4.47Å; F256-K268 HydrophobicContact CG-CD 4.18Å; F256-K268 HydrophobicContact CG-CG 4.47Å; F256-K268 HydrophobicContact CZ-CB 4.24Å; F256-V269 WeakPolarHBondContact CZ-O 3.06Å; F256-M270 HydrophobicContact CE2-CB 4.26Å; F256-M270 HydrophobicContact CE2-CE 4.1Å; F256-I296 HydrophobicContact CB-CD1 4.33Å; F256-I296 HydrophobicContact CD2-CD1 3.61Å; F256-I296 HydrophobicContact CD2-CG1 4.26Å; F256-I296 HydrophobicContact CD2-CG2 4.35Å; F256-I296 HydrophobicContact CE2-CD1 4.19Å; F256-I296 HydrophobicContact CE2-CG2 3.83Å; F256-I296 HydrophobicContact CG-CD1 4.14Å; F256-I296 HydrophobicContact CZ-CG2 4.28Å |
| 257 | S | 93.2 | Very high | 90 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -85 | 150.1 | 174.4 | 71 | 0 | 0 | 0 | 0 | 112.2 | E254 A255 E259 R260 G261 A262 | E254-S257 WeakPolarHBondContact O-CB 3.38Å; E254-S257 PolarHBondContact O-N 2.88Å; E254-S257 PolarHBondContact O-OG 3Å; A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.1Å; S257-E259 PolarHBondContact O-N 2.87Å; S257-R260 CarbonylContact O-C 3.58Å; S257-R260 PolarHBondContact O-N 3.28Å; S257-R260 PolarHBondContact OG-N 2.01Å; S257-G261 PolarHBondContact O-N 3.43Å; S257-A262 VanDerWaalsContact O-CB 3.32Å; S257-A262 WeakPolarHBondContact O-CB 3.37Å; S257-A262 PolarHBondContact O-N 3.48Å |
| 258 | A | 89.6 | Confident | 89.8 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 72% | 0.719 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -59.2 | -32.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R260 G261 | A258-R260 VanDerWaalsContact C-N 3.26Å; A258-R260 PolarHBondContact O-N 2.8Å; A258-G261 PolarHBondContact O-N 2.98Å; A258-G261 VanDerWaalsContact O-N 3.13Å |
| 259 | E | 90.6 | Very high | 89.5 | Confident | 167 Ų | 167 | 47.6 Ų | 47.6 | 78% | 0.78 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -62.7 | -33.1 | 176.6 | -63.2 | -171.7 | 177.9 | 0 | 0 | 112.5 | K219 S257 | K219-E259 PolarHBondContact NZ-O 2.93Å; S257-E259 PolarHBondContact O-N 2.87Å |
| 260 | R | 91.8 | Very high | 89.5 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -93.3 | 8.5 | 176.8 | -70.2 | -163 | -179.5 | -98.6 | 7.2 | 114.1 | H214 S217 L218 E254 S257 A258 | H214-R260 PolarHBondContact CD2-NH2 3.01Å; H214-R260 VanDerWaalsContact CD2-NH2 3.26Å; H214-R260 PolarHBondContact NE2-NE 2.89Å; S217-R260 WeakPolarHBondContact CB-O 3.42Å; S217-R260 PolarHBondContact OG-NH1 2.8Å; L218-R260 PolarHBondContact N-O 3.33Å; L218-R260 VanDerWaalsContact N-O 3.15Å; E254-R260 WeakPolarHBondContact O-CD 3.22Å; E254-R260 IonicContact OE2-NH2 3.67Å; S257-R260 CarbonylContact O-C 3.58Å; S257-R260 PolarHBondContact O-N 3.28Å; S257-R260 PolarHBondContact OG-N 2.01Å; A258-R260 VanDerWaalsContact C-N 3.26Å; A258-R260 PolarHBondContact O-N 2.8Å |
| 261 | G | 88.3 | Confident | 89.5 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | 2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q202 S257 A258 R263 | Q202-G261 PolarHBondContact OE1-O 2.97Å; S257-G261 PolarHBondContact O-N 3.43Å; A258-G261 PolarHBondContact O-N 2.98Å; A258-G261 VanDerWaalsContact O-N 3.13Å; G261-R263 PolarHBondContact O-N 3.14Å |
| 262 | A | 89.4 | Confident | 89.5 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.1 | 134 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D166 L218 F256 S257 | D166-A262 VanDerWaalsContact OD2-CA 3.27Å; D166-A262 WeakPolarHBondContact OD2-CA 2.94Å; L218-A262 HydrophobicContact CD1-CB 3.79Å; F256-A262 WeakPolarHBondContact O-CB 3.21Å; S257-A262 VanDerWaalsContact O-CB 3.32Å; S257-A262 WeakPolarHBondContact O-CB 3.37Å; S257-A262 PolarHBondContact O-N 3.48Å |
| 263 | R | 86.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -94.6 | 137.8 | -173.4 | -65.9 | 174.6 | -68.7 | 174.1 | 6.9 | 110.7 | M165 D166 S198 Q200 G261 G265 A266 | M165-R263 VanDerWaalsContact C-NH2 3.34Å; M165-R263 PolarHBondContact O-NH2 3.42Å; D166-R263 IonicContact OD1-CZ 3.24Å; D166-R263 VanDerWaalsContact OD1-CZ 3.22Å; D166-R263 IonicContact OD1-NE 2.7Å; D166-R263 PolarHBondContact OD1-NE 3.25Å; D166-R263 IonicContact OD1-NH2 2.78Å; D166-R263 PolarHBondContact OD1-NH2 3.29Å; D166-R263 PolarHBondContact OD2-N 3.01Å; S198-R263 PolarHBondContact O-NH1 3.41Å; Q200-R263 PolarHBondContact O-NH1 2.82Å; Q200-R263 PolarHBondContact O-NH2 2.97Å; G261-R263 PolarHBondContact O-N 3.14Å; R263-G265 PolarHBondContact O-N 2.9Å; R263-A266 HydrophobicContact CB-CB 3.86Å; R263-A266 PolarHBondContact O-N 2.98Å |
| 264 | E | 78.9 | Confident | 89.6 | Confident | 203 Ų | 203 | 41.8 Ų | 41.8 | 95% | 0.949 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | 125.5 | 176.1 | -164.5 | 178 | -176.9 | 0 | 0 | 109.7 | ||
| 265 | G | 73.2 | Confident | 89.2 | Confident | 65 Ų | 65 | 37.9 Ų | 37.9 | 67% | 0.67 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 3.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R263 | R263-G265 PolarHBondContact O-N 2.9Š|
| 266 | A | 80.1 | Confident | 88.8 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 145.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | F164 R263 K268 | F164-A266 CarbonylContact O-C 3.57Å; F164-A266 WeakPolarHBondContact O-CA 3.38Å; F164-A266 WeakPolarHBondContact O-CB 3.33Å; R263-A266 HydrophobicContact CB-CB 3.86Å; R263-A266 PolarHBondContact O-N 2.98Å; A266-K268 PolarHBondContact O-N 3.23Å |
| 267 | T | 82.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124.7 | 172.4 | -56.6 | 0 | 0 | 0 | 0 | 109 | F164 M165 D166 V269 | F164-T267 PolarHBondContact O-N 3.16Å; M165-T267 WeakPolarHBondContact CA-O 3.36Å; D166-T267 PolarHBondContact N-O 3Å; T267-V269 HydrophobicContact CG2-CG2 4.23Å |
| 268 | K | 89.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.4 | -175.9 | -63.1 | 175.7 | -175.6 | 176.8 | 0 | 110.3 | D166 F256 A266 I296 T297 | D166-K268 WeakPolarHBondContact O-CA 3.47Å; F256-K268 HydrophobicContact CB-CD 4.18Å; F256-K268 HydrophobicContact CD1-CB 3.85Å; F256-K268 HydrophobicContact CD1-CD 3.96Å; F256-K268 HydrophobicContact CD1-CG 3.79Å; F256-K268 HydrophobicContact CE1-CB 3.72Å; F256-K268 HydrophobicContact CE1-CG 4.1Å; F256-K268 HydrophobicContact CG-CB 4.47Å; F256-K268 HydrophobicContact CG-CD 4.18Å; F256-K268 HydrophobicContact CG-CG 4.47Å; F256-K268 HydrophobicContact CZ-CB 4.24Å; A266-K268 PolarHBondContact O-N 3.23Å; K268-I296 HydrophobicContact CB-CB 4.47Å; K268-I296 HydrophobicContact CB-CG1 3.95Å; K268-I296 HydrophobicContact CB-CG2 4.47Å; K268-I296 HydrophobicContact CD-CG1 4.05Å; K268-T297 PolarHBondContact O-N 2.85Å |
| 269 | V | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.9 | -177.1 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | D166 I167 V168 F256 T267 I271 T297 Y299 L356 | D166-V269 PolarHBondContact O-N 2.76Å; I167-V269 CarbonylContact C-O 3.52Å; I167-V269 VanDerWaalsContact CA-O 3.27Å; I167-V269 WeakPolarHBondContact CA-O 3.45Å; I167-V269 HydrophobicContact CG1-CB 4.33Å; V168-V269 PolarHBondContact N-O 2.91Å; F256-V269 WeakPolarHBondContact CZ-O 3.06Å; T267-V269 HydrophobicContact CG2-CG2 4.23Å; V269-I271 HydrophobicContact CG1-CG1 4.45Å; V269-T297 CarbonylContact C-O 3.55Å; V269-T297 WeakPolarHBondContact CA-O 3.48Å; V269-Y299 HydrophobicContact CG1-CD2 3.76Å; V269-Y299 HydrophobicContact CG1-CE2 3.87Å; V269-L356 HydrophobicContact CG2-CD1 4.15Å |
| 270 | M | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.8 | 172.9 | -175.3 | -176.6 | -61.9 | 0 | 0 | 110.2 | V168 V170 I248 A251 C252 F256 V272 I296 T297 R298 Y299 | V168-M270 CarbonylContact O-C 3.58Å; V168-M270 VanDerWaalsContact O-CA 3.27Å; V168-M270 WeakPolarHBondContact O-CA 3.35Å; V170-M270 HydrophobicContact CG2-CG 3.84Å; V170-M270 HydrophobicContact CG2-SD 3.99Å; I248-M270 HydrophobicContact CG1-SD 4.34Å; I248-M270 HydrophobicContact CG2-SD 4.31Å; A251-M270 HydrophobicContact CB-CE 3.37Å; A251-M270 HydrophobicContact CB-SD 4.23Å; C252-M270 WeakPolarHBondContact SG-CE 3.44Å; F256-M270 HydrophobicContact CE2-CB 4.26Å; F256-M270 HydrophobicContact CE2-CE 4.1Å; M270-V272 HydrophobicContact CG-CG2 3.96Å; M270-V272 HydrophobicContact SD-CG2 3.73Å; M270-I296 HydrophobicContact CB-CG2 3.94Å; M270-I296 HydrophobicContact CE-CG2 4.36Å; M270-T297 PolarHBondContact N-O 3.41Å; M270-R298 HydrophobicContact CB-CG 4.16Å; M270-R298 CarbonylContact O-C 3.47Å; M270-R298 WeakPolarHBondContact O-CA 3.34Å; M270-R298 HydrophobicContact SD-CG 4.34Å; M270-Y299 PolarHBondContact O-N 2.84Å |
| 271 | I | 95 | Very high | 88 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 108.9 | 173 | -53 | 177.3 | 0 | 0 | 0 | 108.3 | I167 V168 I169 V170 I190 V269 V273 Y299 I301 L349 I353 | I167-I271 HydrophobicContact CG2-CD1 4.11Å; I167-I271 HydrophobicContact CG2-CG1 4.43Å; V168-I271 PolarHBondContact O-N 2.82Å; I169-I271 CarbonylContact C-O 3.54Å; I169-I271 WeakPolarHBondContact CA-O 3.48Å; I169-I271 HydrophobicContact CG1-CB 4.34Å; I169-I271 HydrophobicContact CG1-CD1 4.26Å; I169-I271 HydrophobicContact CG2-CB 4.32Å; V170-I271 PolarHBondContact N-O 3.4Å; I190-I271 HydrophobicContact CD1-CD1 4.13Å; V269-I271 HydrophobicContact CG1-CG1 4.45Å; I271-V273 HydrophobicContact CG2-CG2 4.21Å; I271-Y299 CarbonylContact C-O 3.58Å; I271-Y299 WeakPolarHBondContact CA-O 3.33Å; I271-I301 HydrophobicContact CG2-CD1 3.85Å; I271-I301 HydrophobicContact CG2-CG1 4.4Å; I271-L349 HydrophobicContact CG2-CD2 4.32Å; I271-I353 HydrophobicContact CD1-CD1 3.63Å; I271-I353 HydrophobicContact CG1-CD1 4.48Å |
| 272 | V | 95.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.8 | 179.8 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | V170 T244 I248 M270 Y299 I301 I324 | V170-V272 HydrophobicContact CB-CG2 4.36Å; V170-V272 CarbonylContact O-C 3.57Å; V170-V272 WeakPolarHBondContact O-CA 3.12Å; T244-V272 HydrophobicContact CG2-CG1 4.17Å; I248-V272 HydrophobicContact CD1-CG2 4.43Å; I248-V272 HydrophobicContact CG1-CG2 4.17Å; M270-V272 HydrophobicContact CG-CG2 3.96Å; M270-V272 HydrophobicContact SD-CG2 3.73Å; V272-Y299 PolarHBondContact N-O 2.76Å; V272-I301 PolarHBondContact O-N 2.85Å; V272-I324 HydrophobicContact CB-CG2 4.27Å; V272-I324 HydrophobicContact CG1-CG2 4.46Å; V272-I324 HydrophobicContact CG2-CG2 3.97Å |
| 273 | V | 94.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.5 | 179.6 | -170.9 | 0 | 0 | 0 | 0 | 109.4 | V170 V171 D172 F186 I271 I301 V303 L342 | V170-V273 PolarHBondContact O-N 2.82Å; V171-V273 HydrophobicContact CG2-CB 4.35Å; D172-V273 VanDerWaalsContact CB-O 3.28Å; D172-V273 WeakPolarHBondContact CB-O 3.11Å; D172-V273 PolarHBondContact N-O 2.86Å; F186-V273 HydrophobicContact CE1-CG2 4.07Å; I271-V273 HydrophobicContact CG2-CG2 4.21Å; V273-I301 HydrophobicContact CG1-CB 4.4Å; V273-I301 HydrophobicContact CG2-CB 4.28Å; V273-I301 HydrophobicContact CG2-CD1 3.95Å; V273-I301 HydrophobicContact CG2-CG1 4.37Å; V273-V303 HydrophobicContact CG1-CG2 4.13Å; V273-L342 HydrophobicContact CG1-CD1 4.44Å; V273-L342 HydrophobicContact CG1-CD2 4.22Å |
| 274 | T | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.1 | -178.2 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | D172 Y208 G276 I301 V303 F317 I321 | D172-T274 PolarHBondContact OD2-OG1 2.85Å; Y208-T274 WeakPolarHBondContact OH-CB 3.36Å; Y208-T274 PolarHBondContact OH-OG1 2.76Å; T274-G276 PolarHBondContact OG1-N 2.57Å; T274-G276 PolarHBondContact OG1-O 3.18Å; T274-I301 PolarHBondContact N-O 3.08Å; T274-V303 PolarHBondContact O-N 2.78Å; T274-F317 HydrophobicContact CG2-CE2 4.07Å; T274-F317 HydrophobicContact CG2-CZ 4.21Å; T274-F317 WeakPolarHBondContact O-CZ 3.32Å; T274-I321 HydrophobicContact CG2-CD1 3.33Å; T274-I321 HydrophobicContact CG2-CG1 4.23Å |
| 275 | D | 87.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -118.7 | 6.6 | 178.9 | 78.2 | -28.1 | 0 | 0 | 0 | 115 | S176 I177 V303 Y307 | S176-D275 WeakPolarHBondContact CB-OD1 3.36Å; S176-D275 WeakPolarHBondContact CB-OD2 3.16Å; S176-D275 VanDerWaalsContact O-OD2 3.09Å; S176-D275 PolarHBondContact OG-OD1 3.48Å; S176-D275 PolarHBondContact OG-OD2 2.94Å; I177-D275 HydrophobicContact CD1-CB 3.41Å; I177-D275 VanDerWaalsContact CD1-CB 3.41Å; I177-D275 HydrophobicContact CG1-CB 4.28Å; I177-D275 WeakPolarHBondContact CG1-OD1 3.31Å; I177-D275 PolarHBondContact N-OD2 2.84Å; I177-D275 VanDerWaalsContact N-OD2 3.1Å; D275-V303 VanDerWaalsContact CA-O 3.27Å; D275-V303 WeakPolarHBondContact CA-O 3.42Å; D275-V303 HydrophobicContact CB-CB 3.83Å; D275-V303 HydrophobicContact CB-CG1 4.23Å; D275-V303 VanDerWaalsContact CB-O 3.3Å; D275-V303 WeakPolarHBondContact CB-O 3.41Å; D275-Y307 WeakPolarHBondContact O-CE2 3.47Å |
| 276 | G | 85 | Confident | 90 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -149.8 | 153 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | T274 F317 | T274-G276 PolarHBondContact OG1-N 2.57Å; T274-G276 PolarHBondContact OG1-O 3.18Å; G276-F317 VanDerWaalsContact C-CD2 3.48Å; G276-F317 VanDerWaalsContact O-CE2 3.28Å; G276-F317 WeakPolarHBondContact O-CE2 3.42Å |
| 277 | E | 87.4 | Confident | 90.7 | Very high | 72 Ų | 72 | 38.7 Ų | 38.7 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | trans | -57.7 | 140.7 | 172.3 | -76.8 | 162.2 | -125.2 | 0 | 0 | 112 | H279 Y307 F317 | E277-H279 PolarHBondContact O-N 2.85Å; E277-H279 PolarHBondContact O-ND1 2.9Å; E277-Y307 WeakPolarHBondContact CG-OH 3.32Å; E277-Y307 PolarHBondContact OE1-OH 2.76Å; E277-F317 HydrophobicContact CG-CB 3.88Å; E277-F317 HydrophobicContact CG-CD2 4.19Å | ||
| 278 | S | 89.2 | Confident | 91.2 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | trans | -67.6 | 127.5 | -179.9 | -147.6 | 0 | 0 | 0 | 0 | 111.4 | T242 T244 A245 D280 G281 E320 | T242-S278 WeakPolarHBondContact O-CA 3.42Å; T244-S278 WeakPolarHBondContact CA-OG 3.35Å; T244-S278 WeakPolarHBondContact CB-OG 3.45Å; T244-S278 PolarHBondContact N-OG 2.76Å; T244-S278 PolarHBondContact OG1-OG 3.49Å; A245-S278 PolarHBondContact N-OG 2.69Å; S278-D280 PolarHBondContact O-N 2.81Å; S278-D280 PolarHBondContact OG-OD1 3.44Å; S278-G281 PolarHBondContact O-N 3.1Å; S278-E320 WeakPolarHBondContact CB-OE1 3.46Å; S278-E320 PolarHBondContact N-OE1 3.29Å; S278-E320 PolarHBondContact N-OE2 2.78Å | ||
| 279 | H | 89.4 | Confident | 91.3 | Very high | 123 Ų | 123 | 41.8 Ų | 41.8 | 57% | 0.569 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.8 | 175.8 | -71.3 | 64.6 | 0 | 0 | 0 | 112.9 | E241 T242 E277 | E241-H279 HydrophobicContact CB-CB 4.4Å; T242-H279 PolarHBondContact N-ND1 2.88Å; T242-H279 PolarHBondContact O-N 2.96Å; E277-H279 PolarHBondContact O-N 2.85Å; E277-H279 PolarHBondContact O-ND1 2.9Å |
| 280 | D | 91.2 | Very high | 91.4 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 28.1 | 175.6 | 60.6 | -12.9 | 0 | 0 | 0 | 111.6 | R243 T244 A245 Y246 S278 D282 E283 | R243-D280 VanDerWaalsContact CA-OD1 3.31Å; R243-D280 WeakPolarHBondContact CA-OD1 2.97Å; R243-D280 WeakPolarHBondContact CA-OD2 3.45Å; R243-D280 WeakPolarHBondContact CB-OD2 3.46Å; T244-D280 PolarHBondContact N-OD1 3.27Å; T244-D280 VanDerWaalsContact N-OD1 3.13Å; A245-D280 HydrophobicContact CB-CB 4.43Å; A245-D280 WeakPolarHBondContact CB-O 2.92Å; A245-D280 PolarHBondContact N-OD1 2.68Å; A245-D280 PolarHBondContact N-OD2 2.92Å; Y246-D280 WeakPolarHBondContact CB-OD2 3.3Å; Y246-D280 PolarHBondContact N-OD2 2.79Å; S278-D280 PolarHBondContact O-N 2.81Å; S278-D280 PolarHBondContact OG-OD1 3.44Å; D280-D282 PolarHBondContact O-N 3.28Å; D280-D282 VanDerWaalsContact O-N 3.09Å; D280-E283 WeakPolarHBondContact O-CB 3.3Å; D280-E283 PolarHBondContact O-N 3.28Å |
| 281 | G | 85.9 | Confident | 91.3 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.9 | -24.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | S278 E283 L284 | S278-G281 PolarHBondContact O-N 3.1Å; G281-E283 PolarHBondContact O-N 3.24Å; G281-L284 WeakPolarHBondContact O-CB 3.16Å; G281-L284 PolarHBondContact O-N 2.8Å |
| 282 | D | 89.5 | Confident | 91 | Very high | 165 Ų | 165 | 48.4 Ų | 48.4 | 88% | 0.882 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.5 | 174 | -69.4 | -32 | 0 | 0 | 0 | 113 | D280 | D280-D282 PolarHBondContact O-N 3.28Å; D280-D282 VanDerWaalsContact O-N 3.09Å |
| 283 | E | 92.2 | Very high | 90.7 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -92.9 | -5.3 | 179.5 | -60.1 | -177.9 | -164.9 | 0 | 0 | 112.9 | A245 D280 G281 P285 D286 A287 | A245-E283 HydrophobicContact CB-CB 4.02Å; D280-E283 WeakPolarHBondContact O-CB 3.3Å; D280-E283 PolarHBondContact O-N 3.28Å; G281-E283 PolarHBondContact O-N 3.24Å; E283-P285 VanDerWaalsContact C-CD 3.48Å; E283-D286 PolarHBondContact O-N 2.76Å; E283-A287 PolarHBondContact O-N 3.31Å |
| 284 | L | 91.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | -176.4 | -160.9 | 65.8 | 0 | 0 | 0 | 113.8 | A245 I248 G281 D286 A287 L288 E320 Y323 I324 | A245-L284 HydrophobicContact CB-CB 4.18Å; A245-L284 HydrophobicContact CB-CD1 3.86Å; I248-L284 HydrophobicContact CD1-CD1 3.8Å; G281-L284 WeakPolarHBondContact O-CB 3.16Å; G281-L284 PolarHBondContact O-N 2.8Å; L284-D286 PolarHBondContact O-N 3.28Å; L284-A287 PolarHBondContact O-N 3.47Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 HydrophobicContact CG-CG 4.37Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 3.39Å; L284-E320 HydrophobicContact CD2-CG 3.98Å; L284-Y323 HydrophobicContact CD2-CD1 3.81Å; L284-Y323 HydrophobicContact CD2-CE1 4.3Å; L284-Y323 HydrophobicContact CG-CD1 4.38Å; L284-Y323 HydrophobicContact CG-CE1 4.44Å; L284-I324 HydrophobicContact CD1-CD1 4.23Å; L284-I324 HydrophobicContact CD1-CG1 4.03Å; L284-I324 HydrophobicContact CD2-CD1 4.21Å; L284-I324 HydrophobicContact CD2-CG1 3.78Å; L284-I324 HydrophobicContact CG-CG1 4.3Å |
| 285 | P | 93.3 | Very high | 90.1 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 177.7 | -25.3 | 35.8 | 0 | 0 | 0 | 113.5 | E283 A287 L288 E289 Y323 | E283-P285 VanDerWaalsContact C-CD 3.48Å; P285-A287 VanDerWaalsContact C-N 3.34Å; P285-L288 PolarHBondContact O-N 2.7Å; P285-E289 PolarHBondContact O-N 2.83Å; P285-Y323 HydrophobicContact CG-CE1 4.34Å |
| 286 | D | 92.4 | Very high | 90.2 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 179.9 | -68.7 | -12.7 | 0 | 0 | 0 | 110.7 | E283 L284 E289 E290 | E283-D286 PolarHBondContact O-N 2.76Å; L284-D286 PolarHBondContact O-N 3.28Å; D286-E289 PolarHBondContact O-N 2.04Å; D286-E290 PolarHBondContact O-N 2.82Å |
| 287 | A | 93 | Very high | 90.4 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I248 Q249 E283 L284 P285 E290 C291 | I248-A287 HydrophobicContact CB-CB 4.47Å; I248-A287 HydrophobicContact CG2-CB 4.19Å; Q249-A287 HydrophobicContact CB-CB 4Å; E283-A287 PolarHBondContact O-N 3.31Å; L284-A287 PolarHBondContact O-N 3.47Å; P285-A287 VanDerWaalsContact C-N 3.34Å; A287-E290 PolarHBondContact O-N 2.92Å; A287-C291 PolarHBondContact O-N 2.82Å; A287-C291 PolarHBondContact O-SG 2.71Å |
| 288 | L | 93.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 178.8 | -65.2 | 173.1 | 0 | 0 | 0 | 112 | I248 L284 P285 E290 C291 E292 Y323 | I248-L288 HydrophobicContact CG2-CD2 4.39Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 HydrophobicContact CG-CG 4.37Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 3.39Å; P285-L288 PolarHBondContact O-N 2.7Å; L288-E290 VanDerWaalsContact C-N 3.34Å; L288-E290 PolarHBondContact O-N 2.89Å; L288-C291 WeakPolarHBondContact O-CB 3.34Å; L288-C291 PolarHBondContact O-N 2.76Å; L288-E292 WeakPolarHBondContact O-CG 3.4Å; L288-E292 PolarHBondContact O-N 3.31Å; L288-Y323 HydrophobicContact CD1-CD1 3.77Å; L288-Y323 HydrophobicContact CD1-CE1 3.56Å; L288-Y323 HydrophobicContact CD1-CE2 4.48Å; L288-Y323 HydrophobicContact CD1-CG 4.32Å; L288-Y323 WeakPolarHBondContact CD1-O 2.96Å |
| 289 | E | 92.3 | Very high | 90.9 | Very high | 140 Ų | 140 | 57.9 Ų | 57.9 | 65% | 0.654 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 174.8 | -172.7 | 175.3 | -175.6 | 0 | 0 | 111.7 | P285 D286 C291 E292 S293 | P285-E289 PolarHBondContact O-N 2.83Å; D286-E289 PolarHBondContact O-N 2.04Å; E289-C291 VanDerWaalsContact C-N 3.33Å; E289-C291 PolarHBondContact O-N 3.01Å; E289-E292 PolarHBondContact O-N 2.81Å; E289-S293 WeakPolarHBondContact O-CB 3.33Å; E289-S293 PolarHBondContact O-N 2.89Å |
| 290 | E | 92.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 52 Ų | 52 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 175 | -176.5 | 67.5 | -158.4 | 0 | 0 | 111.3 | C252 T253 D286 A287 L288 S293 R294 | C252-E290 HydrophobicContact CB-CG 4.4Å; T253-E290 HydrophobicContact CG2-CG 3.8Å; D286-E290 PolarHBondContact O-N 2.82Å; A287-E290 PolarHBondContact O-N 2.92Å; L288-E290 VanDerWaalsContact C-N 3.34Å; L288-E290 PolarHBondContact O-N 2.89Å; E290-S293 PolarHBondContact O-N 2.87Å; E290-S293 PolarHBondContact O-OG 3.07Å; E290-R294 WeakPolarHBondContact O-CG 3.34Å; E290-R294 PolarHBondContact O-N 3.38Å; E290-R294 IonicContact OE1-CZ 2.87Å; E290-R294 IonicContact OE1-NE 2.93Å; E290-R294 PolarHBondContact OE1-NE 2.9Å; E290-R294 IonicContact OE1-NH2 3.48Å; E290-R294 PolarHBondContact OE1-NH2 3.34Å |
| 291 | C | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | I248 C252 A287 L288 E289 R294 N295 I296 | I248-C291 WeakPolarHBondContact CG2-SG 3.48Å; C252-C291 HydrophobicContact CB-CB 4.12Å; C252-C291 WeakPolarHBondContact CB-SG 3.42Å; C252-C291 WeakPolarHBondContact SG-CA 3.31Å; C252-C291 WeakPolarHBondContact SG-CB 3.25Å; C252-C291 CovalentContact SG-SG 2.02Å; C252-C291 PolarHBondContact SG-SG 3.19Å; A287-C291 PolarHBondContact O-N 2.82Å; A287-C291 PolarHBondContact O-SG 2.71Å; L288-C291 WeakPolarHBondContact O-CB 3.34Å; L288-C291 PolarHBondContact O-N 2.76Å; E289-C291 VanDerWaalsContact C-N 3.33Å; E289-C291 PolarHBondContact O-N 3.01Å; C291-R294 PolarHBondContact O-N 3.02Å; C291-N295 PolarHBondContact O-N 2.91Å; C291-I296 HydrophobicContact CB-CB 4.49Å; C291-I296 PolarHBondContact O-N 2.87Å; C291-I296 VanDerWaalsContact O-N 3.13Å |
| 292 | E | 89.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.6 | -74.9 | -59.4 | 148.7 | 0 | 0 | 111.6 | L288 E289 R294 N295 R298 | L288-E292 WeakPolarHBondContact O-CG 3.4Å; L288-E292 PolarHBondContact O-N 3.31Å; E289-E292 PolarHBondContact O-N 2.81Å; E292-R294 PolarHBondContact O-N 2.87Å; E292-N295 PolarHBondContact O-N 2.82Å; E292-R298 IonicContact OE1-CZ 2.94Å; E292-R298 IonicContact OE1-NH1 3.8Å; E292-R298 PolarHBondContact OE1-NH1 2.96Å; E292-R298 IonicContact OE1-NH2 3.68Å; E292-R298 PolarHBondContact OE1-NH2 2.81Å |
| 293 | S | 90.1 | Very high | 91.7 | Very high | 88 Ų | 88 | 42 Ų | 42 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.1 | -23.8 | 177.6 | 80.7 | 0 | 0 | 0 | 0 | 113.4 | E289 E290 | E289-S293 WeakPolarHBondContact O-CB 3.33Å; E289-S293 PolarHBondContact O-N 2.89Å; E290-S293 PolarHBondContact O-N 2.87Å; E290-S293 PolarHBondContact O-OG 3.07Å |
| 294 | R | 88.3 | Confident | 91.5 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 6.1 | 179.8 | -66.2 | 179.4 | -178.6 | -133.2 | -2.1 | 113.8 | C252 T253 E290 C291 E292 I296 | C252-R294 VanDerWaalsContact O-CD 3.25Å; C252-R294 WeakPolarHBondContact O-CD 3.17Å; C252-R294 PolarHBondContact O-NH1 2.99Å; T253-R294 PolarHBondContact O-NH1 3.04Å; E290-R294 WeakPolarHBondContact O-CG 3.34Å; E290-R294 PolarHBondContact O-N 3.38Å; E290-R294 IonicContact OE1-CZ 2.87Å; E290-R294 IonicContact OE1-NE 2.93Å; E290-R294 PolarHBondContact OE1-NE 2.9Å; E290-R294 IonicContact OE1-NH2 3.48Å; E290-R294 PolarHBondContact OE1-NH2 3.34Å; C291-R294 PolarHBondContact O-N 3.02Å; E292-R294 PolarHBondContact O-N 2.87Å; R294-I296 VanDerWaalsContact C-N 3.35Å; R294-I296 HydrophobicContact CB-CD1 3.84Å; R294-I296 HydrophobicContact CB-CG1 4Å; R294-I296 PolarHBondContact O-N 3.01Å |
| 295 | N | 87.2 | Confident | 91.1 | Very high | 105 Ų | 105 | 37.2 Ų | 37.2 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 43.9 | 178 | -154.9 | 47.9 | 0 | 0 | 0 | 112.8 | C291 E292 Y362 | C291-N295 PolarHBondContact O-N 2.91Å; E292-N295 PolarHBondContact O-N 2.82Å; N295-Y362 WeakPolarHBondContact OD1-CE2 3.38Å |
| 296 | I | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.2 | -179.4 | -60.7 | 167.8 | 0 | 0 | 0 | 109.3 | C252 F256 K268 M270 C291 R294 R298 | C252-I296 HydrophobicContact CB-CD1 3.88Å; C252-I296 VanDerWaalsContact SG-CD1 3.51Å; F256-I296 HydrophobicContact CB-CD1 4.33Å; F256-I296 HydrophobicContact CD2-CD1 3.61Å; F256-I296 HydrophobicContact CD2-CG1 4.26Å; F256-I296 HydrophobicContact CD2-CG2 4.35Å; F256-I296 HydrophobicContact CE2-CD1 4.19Å; F256-I296 HydrophobicContact CE2-CG2 3.83Å; F256-I296 HydrophobicContact CG-CD1 4.14Å; F256-I296 HydrophobicContact CZ-CG2 4.28Å; K268-I296 HydrophobicContact CB-CB 4.47Å; K268-I296 HydrophobicContact CB-CG1 3.95Å; K268-I296 HydrophobicContact CB-CG2 4.47Å; K268-I296 HydrophobicContact CD-CG1 4.05Å; M270-I296 HydrophobicContact CB-CG2 3.94Å; M270-I296 HydrophobicContact CE-CG2 4.36Å; C291-I296 HydrophobicContact CB-CB 4.49Å; C291-I296 PolarHBondContact O-N 2.87Å; C291-I296 VanDerWaalsContact O-N 3.13Å; R294-I296 VanDerWaalsContact C-N 3.35Å; R294-I296 HydrophobicContact CB-CD1 3.84Å; R294-I296 HydrophobicContact CB-CG1 4Å; R294-I296 PolarHBondContact O-N 3.01Å; I296-R298 HydrophobicContact CG2-CG 4.39Å; I296-R298 PolarHBondContact O-NH1 3.44Å |
| 297 | T | 89.3 | Confident | 90.3 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.5 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | K268 V269 M270 Y299 Y332 Y362 | K268-T297 PolarHBondContact O-N 2.85Å; V269-T297 CarbonylContact C-O 3.55Å; V269-T297 WeakPolarHBondContact CA-O 3.48Å; M270-T297 PolarHBondContact N-O 3.41Å; T297-Y299 HydrophobicContact CG2-CE2 4.12Å; T297-Y332 HydrophobicContact CG2-CD1 3.91Å; T297-Y332 HydrophobicContact CG2-CE1 3.41Å; T297-Y332 VanDerWaalsContact CG2-CE1 3.41Å; T297-Y362 PolarHBondContact OG1-OH 2.83Å |
| 298 | R | 92.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121 | -174.2 | -59.1 | 172.5 | -55.7 | -75.4 | 1.9 | 111 | M270 E292 I296 I324 S326 Y332 | M270-R298 HydrophobicContact CB-CG 4.16Å; M270-R298 CarbonylContact O-C 3.47Å; M270-R298 WeakPolarHBondContact O-CA 3.34Å; M270-R298 HydrophobicContact SD-CG 4.34Å; E292-R298 IonicContact OE1-CZ 2.94Å; E292-R298 IonicContact OE1-NH1 3.8Å; E292-R298 PolarHBondContact OE1-NH1 2.96Å; E292-R298 IonicContact OE1-NH2 3.68Å; E292-R298 PolarHBondContact OE1-NH2 2.81Å; I296-R298 HydrophobicContact CG2-CG 4.39Å; I296-R298 PolarHBondContact O-NH1 3.44Å; R298-I324 PolarHBondContact NE-O 2.84Å; R298-S326 PolarHBondContact N-OG 3.19Å; R298-S326 PolarHBondContact O-N 2.74Å; R298-Y332 WeakPolarHBondContact O-CB 3.48Å |
| 299 | Y | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.2 | 166.4 | -72 | -93.4 | 0 | 0 | 0 | 109.2 | V269 M270 I271 V272 T297 Y332 F334 L349 R352 I353 L356 | V269-Y299 HydrophobicContact CG1-CD2 3.76Å; V269-Y299 HydrophobicContact CG1-CE2 3.87Å; M270-Y299 PolarHBondContact O-N 2.84Å; I271-Y299 CarbonylContact C-O 3.58Å; I271-Y299 WeakPolarHBondContact CA-O 3.33Å; V272-Y299 PolarHBondContact N-O 2.76Å; T297-Y299 HydrophobicContact CG2-CE2 4.12Å; Y299-Y332 CarbonylContact C-O 3.54Å; Y299-Y332 VanDerWaalsContact CA-O 3.3Å; Y299-Y332 WeakPolarHBondContact CA-O 3.38Å; Y299-Y332 AromaticContact CD1-CD1 3.87Å; Y299-Y332 HydrophobicContact CD1-CD1 3.87Å; Y299-Y332 HydrophobicContact CD2-CD1 4.16Å; Y299-Y332 AromaticContact CE1-CD1 3.49Å; Y299-Y332 HydrophobicContact CE1-CD1 3.49Å; Y299-Y332 VanDerWaalsContact CE1-CD1 3.49Å; Y299-Y332 HydrophobicContact CE1-CE1 4.06Å; Y299-Y332 HydrophobicContact CE1-CG 4.4Å; Y299-Y332 AromaticContact CE2-CD1 3.78Å; Y299-Y332 HydrophobicContact CE2-CD1 3.78Å; Y299-Y332 AromaticContact CE2-CE1 3.97Å; Y299-Y332 HydrophobicContact CE2-CE1 3.97Å; Y299-Y332 HydrophobicContact CG-CD1 4.2Å; Y299-Y332 AromaticContact CZ-CD1 3.44Å; Y299-Y332 VanDerWaalsContact CZ-CD1 3.44Å; Y299-Y332 AromaticContact CZ-CE1 3.59Å; Y299-Y332 WeakPolarHBondContact OH-CE1 3.28Å; Y299-F334 AromaticContact CD1-CE2 3.98Å; Y299-F334 HydrophobicContact CD1-CE2 3.98Å; Y299-F334 HydrophobicContact CE1-CE2 4.38Å; Y299-L349 HydrophobicContact CD1-CD1 3.7Å; Y299-L349 HydrophobicContact CE1-CD1 4.15Å; Y299-L349 HydrophobicContact CG-CD1 4.08Å; Y299-R352 HydrophobicContact CE1-CB 4.31Å; Y299-I353 HydrophobicContact CE2-CG1 4.09Å; Y299-L356 HydrophobicContact CE2-CD1 4.28Å |
| 300 | A | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I321 I324 A325 Y332 F333 F334 | A300-I321 HydrophobicContact CB-CG2 3.48Å; A300-I321 VanDerWaalsContact CB-CG2 3.48Å; A300-I321 VanDerWaalsContact CB-O 3.28Å; A300-I321 WeakPolarHBondContact CB-O 3.45Å; A300-I324 HydrophobicContact CB-CB 4.2Å; A300-I324 HydrophobicContact CB-CG2 4.07Å; A300-A325 HydrophobicContact CB-CB 3.9Å; A300-Y332 PolarHBondContact N-O 3.23Å; A300-F333 WeakPolarHBondContact O-CA 3.16Å; A300-F334 PolarHBondContact O-N 2.81Å |
| 301 | I | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 111.9 | -174.7 | -49.5 | -178.3 | 0 | 0 | 0 | 109 | F186 I271 V272 V273 T274 F334 L342 I345 L349 | F186-I301 HydrophobicContact CZ-CD1 3.84Å; I271-I301 HydrophobicContact CG2-CD1 3.85Å; I271-I301 HydrophobicContact CG2-CG1 4.4Å; V272-I301 PolarHBondContact O-N 2.85Å; V273-I301 HydrophobicContact CG1-CB 4.4Å; V273-I301 HydrophobicContact CG2-CB 4.28Å; V273-I301 HydrophobicContact CG2-CD1 3.95Å; V273-I301 HydrophobicContact CG2-CG1 4.37Å; T274-I301 PolarHBondContact N-O 3.08Å; I301-F334 CarbonylContact C-O 3.57Å; I301-F334 WeakPolarHBondContact CA-O 3.41Å; I301-F334 HydrophobicContact CG1-CB 4.37Å; I301-F334 HydrophobicContact CG2-CB 4.39Å; I301-L342 HydrophobicContact CG2-CD2 3.67Å; I301-I345 HydrophobicContact CD1-CD1 3.85Å; I301-I345 HydrophobicContact CG1-CD1 4.42Å; I301-I345 HydrophobicContact CG2-CD1 3.69Å; I301-L349 HydrophobicContact CD1-CD2 3.62Å |
| 302 | A | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | F317 I321 F333 F334 N335 V336 | A302-F317 HydrophobicContact CB-CD1 4.44Å; A302-F317 HydrophobicContact CB-CE1 3.66Å; A302-F317 HydrophobicContact CB-CZ 4.02Å; A302-I321 HydrophobicContact CB-CB 4.19Å; A302-I321 HydrophobicContact CB-CG1 4.08Å; A302-I321 HydrophobicContact CB-CG2 4.02Å; A302-F333 HydrophobicContact CB-CE2 3.91Å; A302-F333 HydrophobicContact CB-CZ 4.14Å; A302-F334 PolarHBondContact N-O 3.06Å; A302-N335 HydrophobicContact CB-CB 4.18Å; A302-N335 CarbonylContact O-C 3.52Å; A302-N335 WeakPolarHBondContact O-CA 3.5Å; A302-V336 PolarHBondContact O-N 3.34Å |
| 303 | V | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.1 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | V273 T274 D275 G305 V336 E339 L342 | V273-V303 HydrophobicContact CG1-CG2 4.13Å; T274-V303 PolarHBondContact O-N 2.78Å; D275-V303 VanDerWaalsContact CA-O 3.27Å; D275-V303 WeakPolarHBondContact CA-O 3.42Å; D275-V303 HydrophobicContact CB-CB 3.83Å; D275-V303 HydrophobicContact CB-CG1 4.23Å; D275-V303 VanDerWaalsContact CB-O 3.3Å; D275-V303 WeakPolarHBondContact CB-O 3.41Å; V303-G305 VanDerWaalsContact C-N 3.32Å; V303-G305 PolarHBondContact O-N 3.44Å; V303-V336 HydrophobicContact CB-CG2 4.07Å; V303-V336 HydrophobicContact CG1-CG2 4.1Å; V303-V336 HydrophobicContact CG2-CG2 3.79Å; V303-E339 HydrophobicContact CG1-CG 3.98Å; V303-L342 HydrophobicContact CG2-CD1 4.15Å; V303-L342 HydrophobicContact CG2-CD2 3.86Å; V303-L342 HydrophobicContact CG2-CG 4.19Å |
| 304 | L | 88.4 | Confident | 87.2 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | trans | -88.4 | 3.1 | -171.4 | -57.4 | -179.9 | 0 | 0 | 0 | 114.3 | Y306 Y307 I308 P314 F317 I318 V336 T337 | L304-Y306 VanDerWaalsContact C-N 3.3Å; L304-Y306 PolarHBondContact O-N 2.9Å; L304-Y307 PolarHBondContact O-N 3.41Å; L304-I308 HydrophobicContact CB-CD1 4.07Å; L304-I308 HydrophobicContact CB-CG1 4.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.29Å; L304-I308 PolarHBondContact O-N 2.76Å; L304-P314 HydrophobicContact CD2-CB 3.75Å; L304-P314 HydrophobicContact CD2-CG 4.46Å; L304-F317 HydrophobicContact CD2-CD1 3.85Å; L304-F317 HydrophobicContact CD2-CE1 3.93Å; L304-I318 HydrophobicContact CD1-CD1 4.37Å; L304-I318 HydrophobicContact CD2-CD1 4.28Å; L304-I318 HydrophobicContact CD2-CG1 4.16Å; L304-V336 WeakPolarHBondContact CB-O 3.43Å; L304-V336 WeakPolarHBondContact CG-O 3.29Å; L304-V336 PolarHBondContact N-O 3.11Å; L304-T337 CarbonylContact C-O 3.38Å | ||
| 305 | G | 83.6 | Confident | 87.1 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.4 | -44.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V303 R309 T337 | V303-G305 VanDerWaalsContact C-N 3.32Å; V303-G305 PolarHBondContact O-N 3.44Å; G305-R309 WeakPolarHBondContact O-CB 3.25Å; G305-R309 WeakPolarHBondContact O-CG 3.36Å; G305-R309 VanDerWaalsContact O-CZ 3.32Å; G305-R309 PolarHBondContact O-N 3.46Å; G305-R309 PolarHBondContact O-NE 3.47Å; G305-T337 WeakPolarHBondContact CA-O 3.32Å; G305-T337 PolarHBondContact N-O 2.95Å |
| 306 | Y | 83.1 | Confident | 87.1 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 178.3 | -178.9 | -93.4 | 0 | 0 | 0 | 112.8 | L304 R309 K310 | L304-Y306 VanDerWaalsContact C-N 3.3Å; L304-Y306 PolarHBondContact O-N 2.9Å; Y306-R309 PolarHBondContact O-N 3.48Å; Y306-K310 HydrophobicContact CE1-CG 4.23Å; Y306-K310 HydrophobicContact CE2-CG 4.42Å; Y306-K310 WeakPolarHBondContact O-CB 3.48Å; Y306-K310 WeakPolarHBondContact O-CG 3.02Å; Y306-K310 PolarHBondContact O-N 3.32Å; Y306-K310 VanDerWaalsContact O-N 3.1Å |
| 307 | Y | 85.1 | Confident | 87 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | -178.3 | -75.6 | -101.3 | 0 | 0 | 0 | 111.8 | D275 E277 L304 K310 Q311 Q312 P314 F317 | D275-Y307 WeakPolarHBondContact O-CE2 3.47Å; E277-Y307 WeakPolarHBondContact CG-OH 3.32Å; E277-Y307 PolarHBondContact OE1-OH 2.76Å; L304-Y307 PolarHBondContact O-N 3.41Å; Y307-K310 CarbonylContact O-C 3.54Å; Y307-K310 PolarHBondContact O-N 2.83Å; Y307-Q311 PolarHBondContact O-N 3.4Å; Y307-Q312 HydrophobicContact CD1-CB 3.92Å; Y307-Q312 PolarHBondContact O-N 3.22Å; Y307-P314 HydrophobicContact CD1-CB 4.1Å; Y307-P314 HydrophobicContact CG-CB 4.15Å; Y307-F317 HydrophobicContact CD2-CD1 4.35Å; Y307-F317 HydrophobicContact CE1-CB 4.31Å; Y307-F317 HydrophobicContact CE2-CB 4.17Å; Y307-F317 AromaticContact CE2-CD1 3.97Å; Y307-F317 HydrophobicContact CE2-CD1 3.97Å; Y307-F317 AromaticContact CE2-CG 3.99Å; Y307-F317 HydrophobicContact CE2-CG 3.99Å |
| 308 | I | 80.6 | Confident | 87 | Confident | 100 Ų | 100 | 55 Ų | 55 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 178.1 | -63.8 | 179.1 | 0 | 0 | 0 | 110.8 | L304 K310 Q311 T337 | L304-I308 HydrophobicContact CB-CD1 4.07Å; L304-I308 HydrophobicContact CB-CG1 4.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.29Å; L304-I308 PolarHBondContact O-N 2.76Å; I308-K310 PolarHBondContact O-N 2.89Å; I308-Q311 PolarHBondContact O-N 3.16Å; I308-T337 WeakPolarHBondContact CD1-O 3.26Å |
| 309 | R | 80.7 | Confident | 86.8 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -28.6 | 176.6 | -74.2 | -176.4 | -63.2 | -103.4 | 8.5 | 112.8 | Y178 G305 Y306 E339 | Y178-R309 PolarHBondContact O-NH1 3.17Å; Y178-R309 PolarHBondContact O-NH2 2.93Å; G305-R309 WeakPolarHBondContact O-CB 3.25Å; G305-R309 WeakPolarHBondContact O-CG 3.36Å; G305-R309 VanDerWaalsContact O-CZ 3.32Å; G305-R309 PolarHBondContact O-N 3.46Å; G305-R309 PolarHBondContact O-NE 3.47Å; Y306-R309 PolarHBondContact O-N 3.48Å; R309-E339 IonicContact CZ-OE1 2.92Å; R309-E339 IonicContact CZ-OE2 2.75Å; R309-E339 IonicContact NH1-OE1 3.88Å; R309-E339 PolarHBondContact NH1-OE1 2.85Å; R309-E339 IonicContact NH1-OE2 3.54Å; R309-E339 PolarHBondContact NH1-OE2 3.48Å; R309-E339 IonicContact NH2-OE1 3.98Å; R309-E339 PolarHBondContact NH2-OE1 2.96Å; R309-E339 IonicContact NH2-OE2 2.85Å |
| 310 | K | 82.1 | Confident | 86.7 | Confident | 125 Ų | 125 | 61 Ų | 61 | 54% | 0.543 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -96.9 | -2.4 | -179.2 | -67.4 | -69.4 | -175.7 | 175.6 | 0 | 114.3 | Y306 Y307 I308 Q312 | Y306-K310 HydrophobicContact CE1-CG 4.23Å; Y306-K310 HydrophobicContact CE2-CG 4.42Å; Y306-K310 WeakPolarHBondContact O-CB 3.48Å; Y306-K310 WeakPolarHBondContact O-CG 3.02Å; Y306-K310 PolarHBondContact O-N 3.32Å; Y306-K310 VanDerWaalsContact O-N 3.1Å; Y307-K310 CarbonylContact O-C 3.54Å; Y307-K310 PolarHBondContact O-N 2.83Å; I308-K310 PolarHBondContact O-N 2.89Å; K310-Q312 HydrophobicContact CB-CG 4.03Å; K310-Q312 PolarHBondContact O-N 3.37Å |
| 311 | Q | 79.9 | Confident | 86.7 | Confident | 190 Ų | 190 | 61 Ų | 61 | 89% | 0.888 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 40.8 | -173.6 | -59.7 | 179.2 | -11.6 | 0 | 0 | 112.4 | Y307 I308 | Y307-Q311 PolarHBondContact O-N 3.4Å; I308-Q311 PolarHBondContact O-N 3.16Å |
| 312 | Q | 83.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 64.6 Ų | 64.6 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -101.4 | 151.1 | 176.5 | -72.5 | 179.2 | -19.3 | 0 | 0 | 110.5 | Y307 K310 P314 | Y307-Q312 HydrophobicContact CD1-CB 3.92Å; Y307-Q312 PolarHBondContact O-N 3.22Å; K310-Q312 HydrophobicContact CB-CG 4.03Å; K310-Q312 PolarHBondContact O-N 3.37Å; Q312-P314 WeakPolarHBondContact O-CD 3.05Å | ||
| 313 | D | 84.1 | Confident | 86.4 | Confident | 105 Ų | 105 | 70.6 Ų | 70.6 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | trans | -77.5 | 120.7 | 177.8 | -175.9 | 9.1 | 0 | 0 | 0 | 110.6 | E315 | D313-E315 PolarHBondContact OD1-N 2.94Š| ||
| 314 | P | 86.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | trans | -86.7 | 3.7 | -177.5 | 35.3 | -36.4 | 0 | 0 | 0 | 114.6 | L304 Y307 Q312 T316 F317 I318 | L304-P314 HydrophobicContact CD2-CB 3.75Å; L304-P314 HydrophobicContact CD2-CG 4.46Å; Y307-P314 HydrophobicContact CD1-CB 4.1Å; Y307-P314 HydrophobicContact CG-CB 4.15Å; Q312-P314 WeakPolarHBondContact O-CD 3.05Å; P314-T316 PolarHBondContact O-N 2.8Å; P314-F317 PolarHBondContact O-N 2.79Å; P314-I318 HydrophobicContact CB-CD1 4.06Å; P314-I318 HydrophobicContact CB-CG1 4.4Å; P314-I318 HydrophobicContact CG-CD1 4.06Å; P314-I318 WeakPolarHBondContact O-CG1 3.41Å; P314-I318 PolarHBondContact O-N 2.88Å | ||
| 315 | E | 87.3 | Confident | 86.7 | Confident | 128 Ų | 128 | 70 Ų | 70 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.9 | -45.3 | -173.3 | -82.2 | -167 | 173.8 | 0 | 0 | 114 | D313 I318 N319 | D313-E315 PolarHBondContact OD1-N 2.94Å; E315-I318 PolarHBondContact O-N 2.83Å; E315-N319 PolarHBondContact O-N 2.7Å; E315-N319 PolarHBondContact O-ND2 2.86Å; E315-N319 VanDerWaalsContact O-ND2 3.1Å |
| 316 | T | 86.8 | Confident | 86.9 | Confident | 91 Ų | 91 | 70 Ų | 70 | 56% | 0.558 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | -179.6 | -39 | 0 | 0 | 0 | 0 | 111.4 | P314 N319 E320 | P314-T316 PolarHBondContact O-N 2.8Å; T316-N319 PolarHBondContact O-N 3.1Å; T316-E320 PolarHBondContact O-N 3.25Å; T316-E320 VanDerWaalsContact O-N 3.09Å |
| 317 | F | 88.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 175.4 | 174.2 | -122.6 | 0 | 0 | 0 | 112.4 | T274 G276 E277 A302 L304 Y307 P314 N319 E320 I321 | T274-F317 HydrophobicContact CG2-CE2 4.07Å; T274-F317 HydrophobicContact CG2-CZ 4.21Å; T274-F317 WeakPolarHBondContact O-CZ 3.32Å; G276-F317 VanDerWaalsContact C-CD2 3.48Å; G276-F317 VanDerWaalsContact O-CE2 3.28Å; G276-F317 WeakPolarHBondContact O-CE2 3.42Å; E277-F317 HydrophobicContact CG-CB 3.88Å; E277-F317 HydrophobicContact CG-CD2 4.19Å; A302-F317 HydrophobicContact CB-CD1 4.44Å; A302-F317 HydrophobicContact CB-CE1 3.66Å; A302-F317 HydrophobicContact CB-CZ 4.02Å; L304-F317 HydrophobicContact CD2-CD1 3.85Å; L304-F317 HydrophobicContact CD2-CE1 3.93Å; Y307-F317 HydrophobicContact CD2-CD1 4.35Å; Y307-F317 HydrophobicContact CE1-CB 4.31Å; Y307-F317 HydrophobicContact CE2-CB 4.17Å; Y307-F317 AromaticContact CE2-CD1 3.97Å; Y307-F317 HydrophobicContact CE2-CD1 3.97Å; Y307-F317 AromaticContact CE2-CG 3.99Å; Y307-F317 HydrophobicContact CE2-CG 3.99Å; P314-F317 PolarHBondContact O-N 2.79Å; F317-N319 VanDerWaalsContact C-N 3.27Å; F317-N319 PolarHBondContact O-N 3.26Å; F317-E320 WeakPolarHBondContact O-CB 3.47Å; F317-E320 PolarHBondContact O-N 3.1Å; F317-E320 VanDerWaalsContact O-N 3.14Å; F317-I321 HydrophobicContact CD2-CD1 4.25Å; F317-I321 HydrophobicContact CD2-CG1 3.92Å; F317-I321 HydrophobicContact CE1-CG1 4.38Å; F317-I321 HydrophobicContact CE2-CD1 3.62Å; F317-I321 HydrophobicContact CE2-CG1 3.45Å; F317-I321 VanDerWaalsContact CE2-CG1 3.45Å; F317-I321 HydrophobicContact CZ-CD1 4.19Å; F317-I321 HydrophobicContact CZ-CG1 3.71Å; F317-I321 WeakPolarHBondContact O-CG1 3.15Å; F317-I321 PolarHBondContact O-N 2.85Å |
| 318 | I | 89.4 | Confident | 86.5 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 16% | 0.164 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 179.1 | -72 | 168.7 | 0 | 0 | 0 | 110.9 | L304 P314 E315 I321 K322 F333 | L304-I318 HydrophobicContact CD1-CD1 4.37Å; L304-I318 HydrophobicContact CD2-CD1 4.28Å; L304-I318 HydrophobicContact CD2-CG1 4.16Å; P314-I318 HydrophobicContact CB-CD1 4.06Å; P314-I318 HydrophobicContact CB-CG1 4.4Å; P314-I318 HydrophobicContact CG-CD1 4.06Å; P314-I318 WeakPolarHBondContact O-CG1 3.41Å; P314-I318 PolarHBondContact O-N 2.88Å; E315-I318 PolarHBondContact O-N 2.83Å; I318-I321 PolarHBondContact O-N 2.83Å; I318-K322 HydrophobicContact CG2-CD 4.21Å; I318-K322 WeakPolarHBondContact O-CB 3.35Å; I318-K322 VanDerWaalsContact O-CG 3.31Å; I318-K322 WeakPolarHBondContact O-CG 3.48Å; I318-K322 PolarHBondContact O-N 2.83Å; I318-F333 HydrophobicContact CG2-CE1 4.28Å; I318-F333 HydrophobicContact CG2-CZ 3.82Å |
| 319 | N | 89.1 | Confident | 86.3 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 177.5 | -70.3 | -35.5 | 0 | 0 | 0 | 112.4 | E315 T316 F317 Y323 | E315-N319 PolarHBondContact O-N 2.7Å; E315-N319 PolarHBondContact O-ND2 2.86Å; E315-N319 VanDerWaalsContact O-ND2 3.1Å; T316-N319 PolarHBondContact O-N 3.1Å; F317-N319 VanDerWaalsContact C-N 3.27Å; F317-N319 PolarHBondContact O-N 3.26Å; N319-Y323 PolarHBondContact O-N 2.82Å; N319-Y323 VanDerWaalsContact O-N 3.09Å |
| 320 | E | 90.8 | Very high | 86.1 | Confident | 35 Ų | 35 | 72 Ų | 72 | 16% | 0.164 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 173.7 | -173.8 | -177.9 | 98.8 | 0 | 0 | 111.6 | S278 L284 T316 F317 K322 Y323 I324 | S278-E320 WeakPolarHBondContact CB-OE1 3.46Å; S278-E320 PolarHBondContact N-OE1 3.29Å; S278-E320 PolarHBondContact N-OE2 2.78Å; L284-E320 HydrophobicContact CD2-CG 3.98Å; T316-E320 PolarHBondContact O-N 3.25Å; T316-E320 VanDerWaalsContact O-N 3.09Å; F317-E320 WeakPolarHBondContact O-CB 3.47Å; F317-E320 PolarHBondContact O-N 3.1Å; F317-E320 VanDerWaalsContact O-N 3.14Å; E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 2.91Å; E320-Y323 WeakPolarHBondContact O-CA 3.47Å; E320-Y323 WeakPolarHBondContact O-CB 3.15Å; E320-Y323 PolarHBondContact O-N 3.14Å; E320-I324 PolarHBondContact O-N 2.77Å; E320-I324 VanDerWaalsContact O-N 3.12Å |
| 321 | I | 92.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.3 | -34.1 | -179.2 | -57.6 | -47.2 | 0 | 0 | 0 | 111.9 | T274 A300 A302 F317 I318 Y323 I324 A325 F333 | T274-I321 HydrophobicContact CG2-CD1 3.33Å; T274-I321 HydrophobicContact CG2-CG1 4.23Å; A300-I321 HydrophobicContact CB-CG2 3.48Å; A300-I321 VanDerWaalsContact CB-CG2 3.48Å; A300-I321 VanDerWaalsContact CB-O 3.28Å; A300-I321 WeakPolarHBondContact CB-O 3.45Å; A302-I321 HydrophobicContact CB-CB 4.19Å; A302-I321 HydrophobicContact CB-CG1 4.08Å; A302-I321 HydrophobicContact CB-CG2 4.02Å; F317-I321 HydrophobicContact CD2-CD1 4.25Å; F317-I321 HydrophobicContact CD2-CG1 3.92Å; F317-I321 HydrophobicContact CE1-CG1 4.38Å; F317-I321 HydrophobicContact CE2-CD1 3.62Å; F317-I321 HydrophobicContact CE2-CG1 3.45Å; F317-I321 VanDerWaalsContact CE2-CG1 3.45Å; F317-I321 HydrophobicContact CZ-CD1 4.19Å; F317-I321 HydrophobicContact CZ-CG1 3.71Å; F317-I321 WeakPolarHBondContact O-CG1 3.15Å; F317-I321 PolarHBondContact O-N 2.85Å; I318-I321 PolarHBondContact O-N 2.83Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 2.88Å; I321-I324 HydrophobicContact CD1-CD1 3.8Å; I321-I324 PolarHBondContact O-N 3.23Å; I321-A325 PolarHBondContact O-N 2.95Å; I321-F333 HydrophobicContact CB-CD2 4.31Å; I321-F333 HydrophobicContact CB-CE2 3.83Å; I321-F333 HydrophobicContact CG2-CD2 3.79Å; I321-F333 HydrophobicContact CG2-CE2 3.59Å |
| 322 | K | 90.3 | Very high | 86.1 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 169.7 | -78.3 | 178.8 | 166.4 | -148.2 | 0 | 112.6 | I318 E320 I324 A325 D329 F333 | I318-K322 HydrophobicContact CG2-CD 4.21Å; I318-K322 WeakPolarHBondContact O-CB 3.35Å; I318-K322 VanDerWaalsContact O-CG 3.31Å; I318-K322 WeakPolarHBondContact O-CG 3.48Å; I318-K322 PolarHBondContact O-N 2.83Å; E320-K322 VanDerWaalsContact C-N 3.34Å; E320-K322 PolarHBondContact O-N 2.91Å; K322-I324 VanDerWaalsContact C-N 3.28Å; K322-I324 PolarHBondContact O-N 3.18Å; K322-A325 PolarHBondContact O-N 3.24Å; K322-D329 WeakPolarHBondContact CD-OD2 3.44Å; K322-D329 IonicContact NZ-OD2 3.69Å; K322-D329 PolarHBondContact NZ-OD2 2.67Å; K322-F333 HydrophobicContact CG-CB 4.32Å; K322-F333 HydrophobicContact CG-CD1 3.9Å; K322-F333 HydrophobicContact CG-CD2 3.75Å; K322-F333 HydrophobicContact CG-CE1 4.11Å; K322-F333 HydrophobicContact CG-CE2 3.98Å; K322-F333 HydrophobicContact CG-CG 3.71Å; K322-F333 HydrophobicContact CG-CZ 4.15Å |
| 323 | Y | 91.2 | Very high | 86.5 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 49% | 0.49 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -27.4 | 176.7 | -177.2 | -119.2 | 0 | 0 | 0 | 112.7 | L284 P285 L288 N319 E320 I321 | L284-Y323 HydrophobicContact CD2-CD1 3.81Å; L284-Y323 HydrophobicContact CD2-CE1 4.3Å; L284-Y323 HydrophobicContact CG-CD1 4.38Å; L284-Y323 HydrophobicContact CG-CE1 4.44Å; P285-Y323 HydrophobicContact CG-CE1 4.34Å; L288-Y323 HydrophobicContact CD1-CD1 3.77Å; L288-Y323 HydrophobicContact CD1-CE1 3.56Å; L288-Y323 HydrophobicContact CD1-CE2 4.48Å; L288-Y323 HydrophobicContact CD1-CG 4.32Å; L288-Y323 WeakPolarHBondContact CD1-O 2.96Å; N319-Y323 PolarHBondContact O-N 2.82Å; N319-Y323 VanDerWaalsContact O-N 3.09Å; E320-Y323 WeakPolarHBondContact O-CA 3.47Å; E320-Y323 WeakPolarHBondContact O-CB 3.15Å; E320-Y323 PolarHBondContact O-N 3.14Å; I321-Y323 VanDerWaalsContact C-N 3.28Å; I321-Y323 PolarHBondContact O-N 2.88Å |
| 324 | I | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.2 | -37.6 | 174.2 | -65.8 | 171.9 | 0 | 0 | 0 | 112.1 | T244 I248 V272 L284 R298 A300 E320 I321 K322 | T244-I324 HydrophobicContact CG2-CD1 3.82Å; I248-I324 HydrophobicContact CD1-CB 4.46Å; I248-I324 HydrophobicContact CD1-CD1 3.93Å; I248-I324 HydrophobicContact CD1-CG1 4.01Å; I248-I324 HydrophobicContact CD1-CG2 3.63Å; V272-I324 HydrophobicContact CB-CG2 4.27Å; V272-I324 HydrophobicContact CG1-CG2 4.46Å; V272-I324 HydrophobicContact CG2-CG2 3.97Å; L284-I324 HydrophobicContact CD1-CD1 4.23Å; L284-I324 HydrophobicContact CD1-CG1 4.03Å; L284-I324 HydrophobicContact CD2-CD1 4.21Å; L284-I324 HydrophobicContact CD2-CG1 3.78Å; L284-I324 HydrophobicContact CG-CG1 4.3Å; R298-I324 PolarHBondContact NE-O 2.84Å; A300-I324 HydrophobicContact CB-CB 4.2Å; A300-I324 HydrophobicContact CB-CG2 4.07Å; E320-I324 PolarHBondContact O-N 2.77Å; E320-I324 VanDerWaalsContact O-N 3.12Å; I321-I324 HydrophobicContact CD1-CD1 3.8Å; I321-I324 PolarHBondContact O-N 3.23Å; K322-I324 VanDerWaalsContact C-N 3.28Å; K322-I324 PolarHBondContact O-N 3.18Å |
| 325 | A | 92.2 | Very high | 86.9 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -61.9 | 151 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A300 I321 K322 F333 | A300-A325 HydrophobicContact CB-CB 3.9Å; I321-A325 PolarHBondContact O-N 2.95Å; K322-A325 PolarHBondContact O-N 3.24Å; A325-F333 HydrophobicContact CB-CB 4.26Å |
| 326 | S | 89.1 | Confident | 87 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 158.4 | 171 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | R298 P328 Y332 | R298-S326 PolarHBondContact N-OG 3.19Å; R298-S326 PolarHBondContact O-N 2.74Å; S326-P328 CarbonylContact O-C 3.53Å; S326-Y332 WeakPolarHBondContact O-CD2 3.46Å |
| 327 | D | 79.8 | Confident | 87 | Confident | 137 Ų | 137 | 49.2 Ų | 49.2 | 73% | 0.733 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78.1 | 142 | 177 | -74.3 | -43.3 | 0 | 0 | 0 | 112.7 | Y332 | D327-Y332 WeakPolarHBondContact O-CE2 3.46Š|
| 328 | P | 80.3 | Confident | 86.9 | Confident | 56 Ų | 56 | 52.3 Ų | 52.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | S | Bend | cis | -78.8 | 142.8 | -7.6 | 34.8 | -36.3 | 0 | 0 | 0 | 112 | S326 D330 K331 Y332 | S326-P328 CarbonylContact O-C 3.53Å; P328-D330 VanDerWaalsContact C-N 3.29Å; P328-D330 VanDerWaalsContact CB-OD1 3.25Å; P328-D330 WeakPolarHBondContact CB-OD1 2.96Å; P328-D330 WeakPolarHBondContact CG-OD1 3.35Å; P328-D330 PolarHBondContact O-N 3.5Å; P328-K331 HydrophobicContact CG-CB 4.3Å; P328-K331 PolarHBondContact O-N 2.7Å; P328-Y332 WeakPolarHBondContact O-CD2 3.49Å |
| 329 | D | 75.9 | Confident | 86.8 | Confident | 57 Ų | 57 | 51 Ų | 51 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.9 | -35.4 | -171.1 | 69.8 | -34.1 | 0 | 0 | 0 | 113.2 | K322 K331 Y332 F333 | K322-D329 WeakPolarHBondContact CD-OD2 3.44Å; K322-D329 IonicContact NZ-OD2 3.69Å; K322-D329 PolarHBondContact NZ-OD2 2.67Å; D329-K331 PolarHBondContact O-N 3.19Å; D329-K331 VanDerWaalsContact O-N 3.11Å; D329-Y332 PolarHBondContact O-N 2.83Å; D329-Y332 VanDerWaalsContact O-N 3.16Å; D329-F333 WeakPolarHBondContact O-CB 3.32Å; D329-F333 PolarHBondContact O-N 2.99Å |
| 330 | D | 76.6 | Confident | 86.7 | Confident | 115 Ų | 115 | 48 Ų | 48 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -57.7 | -24.8 | 176.7 | 69.4 | -37.5 | 0 | 0 | 0 | 114.6 | P328 R352 | P328-D330 VanDerWaalsContact C-N 3.29Å; P328-D330 VanDerWaalsContact CB-OD1 3.25Å; P328-D330 WeakPolarHBondContact CB-OD1 2.96Å; P328-D330 WeakPolarHBondContact CG-OD1 3.35Å; P328-D330 PolarHBondContact O-N 3.5Å; D330-R352 PolarHBondContact O-NH1 3.08Å |
| 331 | K | 77.1 | Confident | 86.6 | Confident | 71 Ų | 71 | 46.9 Ų | 46.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -88.8 | -31.2 | 177.9 | -173 | 179.1 | 174.2 | -163 | 0 | 113.4 | P328 D329 R352 | P328-K331 HydrophobicContact CG-CB 4.3Å; P328-K331 PolarHBondContact O-N 2.7Å; D329-K331 PolarHBondContact O-N 3.19Å; D329-K331 VanDerWaalsContact O-N 3.11Å; K331-R352 VanDerWaalsContact C-NH1 3.3Å; K331-R352 WeakPolarHBondContact O-CD 3.07Å; K331-R352 PolarHBondContact O-NH1 3.07Å |
| 332 | Y | 85.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -111.7 | -10.3 | -170.2 | -62.4 | -77.5 | 0 | 0 | 0 | 113.9 | T297 R298 Y299 A300 S326 D327 P328 D329 | T297-Y332 HydrophobicContact CG2-CD1 3.91Å; T297-Y332 HydrophobicContact CG2-CE1 3.41Å; T297-Y332 VanDerWaalsContact CG2-CE1 3.41Å; R298-Y332 WeakPolarHBondContact O-CB 3.48Å; Y299-Y332 CarbonylContact C-O 3.54Å; Y299-Y332 VanDerWaalsContact CA-O 3.3Å; Y299-Y332 WeakPolarHBondContact CA-O 3.38Å; Y299-Y332 AromaticContact CD1-CD1 3.87Å; Y299-Y332 HydrophobicContact CD1-CD1 3.87Å; Y299-Y332 HydrophobicContact CD2-CD1 4.16Å; Y299-Y332 AromaticContact CE1-CD1 3.49Å; Y299-Y332 HydrophobicContact CE1-CD1 3.49Å; Y299-Y332 VanDerWaalsContact CE1-CD1 3.49Å; Y299-Y332 HydrophobicContact CE1-CE1 4.06Å; Y299-Y332 HydrophobicContact CE1-CG 4.4Å; Y299-Y332 AromaticContact CE2-CD1 3.78Å; Y299-Y332 HydrophobicContact CE2-CD1 3.78Å; Y299-Y332 AromaticContact CE2-CE1 3.97Å; Y299-Y332 HydrophobicContact CE2-CE1 3.97Å; Y299-Y332 HydrophobicContact CG-CD1 4.2Å; Y299-Y332 AromaticContact CZ-CD1 3.44Å; Y299-Y332 VanDerWaalsContact CZ-CD1 3.44Å; Y299-Y332 AromaticContact CZ-CE1 3.59Å; Y299-Y332 WeakPolarHBondContact OH-CE1 3.28Å; A300-Y332 PolarHBondContact N-O 3.23Å; S326-Y332 WeakPolarHBondContact O-CD2 3.46Å; D327-Y332 WeakPolarHBondContact O-CE2 3.46Å; P328-Y332 WeakPolarHBondContact O-CD2 3.49Å; D329-Y332 PolarHBondContact O-N 2.83Å; D329-Y332 VanDerWaalsContact O-N 3.16Å |
| 333 | F | 91.2 | Very high | 86.1 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.6 | 175.2 | 175.1 | -105.6 | 0 | 0 | 0 | 112.2 | A300 A302 I318 I321 K322 A325 D329 N335 | A300-F333 WeakPolarHBondContact O-CA 3.16Å; A302-F333 HydrophobicContact CB-CE2 3.91Å; A302-F333 HydrophobicContact CB-CZ 4.14Å; I318-F333 HydrophobicContact CG2-CE1 4.28Å; I318-F333 HydrophobicContact CG2-CZ 3.82Å; I321-F333 HydrophobicContact CB-CD2 4.31Å; I321-F333 HydrophobicContact CB-CE2 3.83Å; I321-F333 HydrophobicContact CG2-CD2 3.79Å; I321-F333 HydrophobicContact CG2-CE2 3.59Å; K322-F333 HydrophobicContact CG-CB 4.32Å; K322-F333 HydrophobicContact CG-CD1 3.9Å; K322-F333 HydrophobicContact CG-CD2 3.75Å; K322-F333 HydrophobicContact CG-CE1 4.11Å; K322-F333 HydrophobicContact CG-CE2 3.98Å; K322-F333 HydrophobicContact CG-CG 3.71Å; K322-F333 HydrophobicContact CG-CZ 4.15Å; A325-F333 HydrophobicContact CB-CB 4.26Å; D329-F333 WeakPolarHBondContact O-CB 3.32Å; D329-F333 PolarHBondContact O-N 2.99Å; F333-N335 HydrophobicContact CE1-CB 4.12Å; F333-N335 HydrophobicContact CZ-CB 3.88Å |
| 334 | F | 89.3 | Confident | 85.8 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 144.3 | 170.1 | -67.8 | -95.2 | 0 | 0 | 0 | 109.8 | Y299 A300 I301 A302 I345 A348 L349 | Y299-F334 AromaticContact CD1-CE2 3.98Å; Y299-F334 HydrophobicContact CD1-CE2 3.98Å; Y299-F334 HydrophobicContact CE1-CE2 4.38Å; A300-F334 PolarHBondContact O-N 2.81Å; I301-F334 CarbonylContact C-O 3.57Å; I301-F334 WeakPolarHBondContact CA-O 3.41Å; I301-F334 HydrophobicContact CG1-CB 4.37Å; I301-F334 HydrophobicContact CG2-CB 4.39Å; A302-F334 PolarHBondContact N-O 3.06Å; F334-I345 HydrophobicContact CB-CD1 4.34Å; F334-I345 HydrophobicContact CD1-CG2 4.42Å; F334-A348 HydrophobicContact CE1-CB 4.31Å; F334-L349 HydrophobicContact CD2-CD1 4.3Å; F334-L349 HydrophobicContact CE2-CD1 3.67Å; F334-L349 HydrophobicContact CZ-CB 4.42Å; F334-L349 HydrophobicContact CZ-CD1 4.17Å |
| 335 | N | 89.7 | Confident | 85.5 | Confident | 85 Ų | 85 | 46.5 Ų | 46.5 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.3 | 166.3 | 65.7 | -6.7 | 0 | 0 | 0 | 110.6 | A302 F333 | A302-N335 HydrophobicContact CB-CB 4.18Å; A302-N335 CarbonylContact O-C 3.52Å; A302-N335 WeakPolarHBondContact O-CA 3.5Å; F333-N335 HydrophobicContact CE1-CB 4.12Å; F333-N335 HydrophobicContact CZ-CB 3.88Å |
| 336 | V | 89.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.7 | 177.4 | -62 | 0 | 0 | 0 | 0 | 109.8 | A302 V303 L304 D338 A341 L342 I345 | A302-V336 PolarHBondContact O-N 3.34Å; V303-V336 HydrophobicContact CB-CG2 4.07Å; V303-V336 HydrophobicContact CG1-CG2 4.1Å; V303-V336 HydrophobicContact CG2-CG2 3.79Å; L304-V336 WeakPolarHBondContact CB-O 3.43Å; L304-V336 WeakPolarHBondContact CG-O 3.29Å; L304-V336 PolarHBondContact N-O 3.11Å; V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 WeakPolarHBondContact CG2-O 3.37Å; V336-D338 PolarHBondContact O-N 3.17Å; V336-A341 HydrophobicContact CB-CB 4Å; V336-L342 HydrophobicContact CG1-CD2 4.37Å; V336-L342 HydrophobicContact CG2-CD2 3.83Å; V336-L342 HydrophobicContact CG2-CG 4.07Å; V336-I345 HydrophobicContact CG1-CD1 3.88Å; V336-I345 HydrophobicContact CG1-CG1 4.2Å; V336-I345 HydrophobicContact CG1-CG2 3.79Å |
| 337 | T | 86.8 | Confident | 84.5 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.5 | -34.4 | -176.1 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | L304 G305 I308 | L304-T337 CarbonylContact C-O 3.38Å; G305-T337 WeakPolarHBondContact CA-O 3.32Å; G305-T337 PolarHBondContact N-O 2.95Å; I308-T337 WeakPolarHBondContact CD1-O 3.26Å |
| 338 | D | 85.4 | Confident | 84.5 | Confident | 64 Ų | 64 | 46.4 Ų | 46.4 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -157.2 | 178.6 | 180 | 61.7 | 6.9 | 0 | 0 | 0 | 110.6 | V336 A340 A341 | V336-D338 VanDerWaalsContact C-N 3.34Å; V336-D338 WeakPolarHBondContact CG2-O 3.37Å; V336-D338 PolarHBondContact O-N 3.17Å; D338-A340 VanDerWaalsContact C-N 3.27Å; D338-A340 PolarHBondContact O-N 2.74Å; D338-A340 PolarHBondContact OD1-N 2.89Å; D338-A341 PolarHBondContact O-N 3.32Å; D338-A341 VanDerWaalsContact OD1-CB 3.29Å; D338-A341 WeakPolarHBondContact OD1-CB 3.5Å; D338-A341 PolarHBondContact OD1-N 3Å |
| 339 | E | 88.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -63.3 | -32.6 | -178 | -62.4 | 77.6 | 175.8 | 0 | 0 | 112 | Y178 E182 V303 R309 L342 | Y178-E339 PolarHBondContact N-OE1 2.79Å; Y178-E339 VanDerWaalsContact O-CD 3.29Å; E182-E339 HydrophobicContact CB-CB 3.85Å; E182-E339 WeakPolarHBondContact CB-O 3.32Å; E182-E339 HydrophobicContact CG-CB 4.31Å; V303-E339 HydrophobicContact CG1-CG 3.98Å; R309-E339 IonicContact CZ-OE1 2.92Å; R309-E339 IonicContact CZ-OE2 2.75Å; R309-E339 IonicContact NH1-OE1 3.88Å; R309-E339 PolarHBondContact NH1-OE1 2.85Å; R309-E339 IonicContact NH1-OE2 3.54Å; R309-E339 PolarHBondContact NH1-OE2 3.48Å; R309-E339 IonicContact NH2-OE1 3.98Å; R309-E339 PolarHBondContact NH2-OE1 2.96Å; R309-E339 IonicContact NH2-OE2 2.85Å; E339-L342 VanDerWaalsContact O-CB 3.31Å; E339-L342 WeakPolarHBondContact O-CB 3.4Å; E339-L342 WeakPolarHBondContact O-CG 3.47Å; E339-L342 PolarHBondContact O-N 2.89Å |
| 340 | A | 86.4 | Confident | 84.4 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -68.4 | -38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E182 D338 L342 N343 | E182-A340 HydrophobicContact CG-CB 4.3Å; D338-A340 VanDerWaalsContact C-N 3.27Å; D338-A340 PolarHBondContact O-N 2.74Å; D338-A340 PolarHBondContact OD1-N 2.89Å; A340-L342 PolarHBondContact O-N 3.23Å; A340-L342 VanDerWaalsContact O-N 3.16Å; A340-N343 PolarHBondContact O-N 2.85Å; A340-N343 PolarHBondContact O-ND2 2.84Å |
| 341 | A | 87.4 | Confident | 84 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -66.1 | -9.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V336 D338 N343 D344 | V336-A341 HydrophobicContact CB-CB 4Å; D338-A341 PolarHBondContact O-N 3.32Å; D338-A341 VanDerWaalsContact OD1-CB 3.29Å; D338-A341 WeakPolarHBondContact OD1-CB 3.5Å; D338-A341 PolarHBondContact OD1-N 3Å; A341-N343 PolarHBondContact O-N 3.47Å; A341-D344 WeakPolarHBondContact O-CB 3.44Å; A341-D344 PolarHBondContact O-N 3.1Å; A341-D344 VanDerWaalsContact O-N 3.07Å |
| 342 | L | 87.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -57.1 | -31.4 | 168 | -74.5 | 171.4 | 0 | 0 | 0 | 112.1 | V183 F186 V273 I301 V303 V336 E339 A340 D344 I345 | V183-L342 HydrophobicContact CG2-CD1 4.15Å; F186-L342 HydrophobicContact CB-CB 3.87Å; F186-L342 HydrophobicContact CB-CD1 4.41Å; F186-L342 HydrophobicContact CD2-CB 3.84Å; F186-L342 VanDerWaalsContact CD2-O 3.23Å; F186-L342 WeakPolarHBondContact CD2-O 3.42Å; F186-L342 HydrophobicContact CG-CB 3.88Å; F186-L342 HydrophobicContact CG-CD1 4.45Å; V273-L342 HydrophobicContact CG1-CD1 4.44Å; V273-L342 HydrophobicContact CG1-CD2 4.22Å; I301-L342 HydrophobicContact CG2-CD2 3.67Å; V303-L342 HydrophobicContact CG2-CD1 4.15Å; V303-L342 HydrophobicContact CG2-CD2 3.86Å; V303-L342 HydrophobicContact CG2-CG 4.19Å; V336-L342 HydrophobicContact CG1-CD2 4.37Å; V336-L342 HydrophobicContact CG2-CD2 3.83Å; V336-L342 HydrophobicContact CG2-CG 4.07Å; E339-L342 VanDerWaalsContact O-CB 3.31Å; E339-L342 WeakPolarHBondContact O-CB 3.4Å; E339-L342 WeakPolarHBondContact O-CG 3.47Å; E339-L342 PolarHBondContact O-N 2.89Å; A340-L342 PolarHBondContact O-N 3.23Å; A340-L342 VanDerWaalsContact O-N 3.16Å; L342-D344 VanDerWaalsContact C-N 3.26Å; L342-D344 PolarHBondContact O-N 3.04Å; L342-I345 HydrophobicContact CD2-CD1 4.21Å; L342-I345 WeakPolarHBondContact O-CG1 3.48Å; L342-I345 PolarHBondContact O-N 2.83Å |
| 343 | N | 85.2 | Confident | 82.8 | Confident | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -70.6 | -23.6 | 178.1 | -68 | -69 | 0 | 0 | 0 | 112.9 | F186 N189 A340 A341 I345 V346 | F186-N343 PolarHBondContact N-OD1 3.41Å; N189-N343 PolarHBondContact ND2-OD1 3.04Å; A340-N343 PolarHBondContact O-N 2.85Å; A340-N343 PolarHBondContact O-ND2 2.84Å; A341-N343 PolarHBondContact O-N 3.47Å; N343-I345 VanDerWaalsContact C-N 3.3Å; N343-I345 PolarHBondContact O-N 3.35Å; N343-V346 PolarHBondContact O-N 2.87Å |
| 344 | D | 85.5 | Confident | 81.3 | Confident | 132 Ų | 132 | 42.1 Ų | 42.1 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -74 | -24.4 | -179.3 | -62.1 | -24.6 | 0 | 0 | 0 | 112.1 | A341 L342 | A341-D344 WeakPolarHBondContact O-CB 3.44Å; A341-D344 PolarHBondContact O-N 3.1Å; A341-D344 VanDerWaalsContact O-N 3.07Å; L342-D344 VanDerWaalsContact C-N 3.26Å; L342-D344 PolarHBondContact O-N 3.04Å |
| 345 | I | 85.6 | Confident | 79.6 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 11% | 0.108 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -91.5 | -4.6 | -179.5 | 62.6 | 164.2 | 0 | 0 | 0 | 113.4 | F186 I301 F334 V336 L342 N343 D347 A348 L349 | F186-I345 HydrophobicContact CE2-CD1 4.44Å; F186-I345 HydrophobicContact CE2-CG1 4.36Å; I301-I345 HydrophobicContact CD1-CD1 3.85Å; I301-I345 HydrophobicContact CG1-CD1 4.42Å; I301-I345 HydrophobicContact CG2-CD1 3.69Å; F334-I345 HydrophobicContact CB-CD1 4.34Å; F334-I345 HydrophobicContact CD1-CG2 4.42Å; V336-I345 HydrophobicContact CG1-CD1 3.88Å; V336-I345 HydrophobicContact CG1-CG1 4.2Å; V336-I345 HydrophobicContact CG1-CG2 3.79Å; L342-I345 HydrophobicContact CD2-CD1 4.21Å; L342-I345 WeakPolarHBondContact O-CG1 3.48Å; L342-I345 PolarHBondContact O-N 2.83Å; N343-I345 VanDerWaalsContact C-N 3.3Å; N343-I345 PolarHBondContact O-N 3.35Å; I345-D347 PolarHBondContact O-N 3.33Å; I345-A348 PolarHBondContact O-N 3.05Å; I345-L349 VanDerWaalsContact O-CB 3.22Å; I345-L349 WeakPolarHBondContact O-CB 3.23Å; I345-L349 PolarHBondContact O-N 3.14Å |
| 346 | V | 85.7 | Confident | 77.9 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | -176.5 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | F186 N189 I190 K193 N343 G350 | F186-V346 HydrophobicContact CD2-CG2 3.76Å; F186-V346 HydrophobicContact CE2-CG2 4.08Å; N189-V346 HydrophobicContact CB-CG1 4.24Å; N189-V346 HydrophobicContact CB-CG2 4.08Å; I190-V346 HydrophobicContact CB-CG1 4.34Å; K193-V346 HydrophobicContact CG-CG1 4.14Å; N343-V346 PolarHBondContact O-N 2.87Å; V346-G350 PolarHBondContact O-N 2.78Å |
| 347 | D | 76.3 | Confident | 75.9 | Confident | 92 Ų | 92 | 42.4 Ų | 42.4 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -45.2 | 179.4 | -70.9 | -31.8 | 0 | 0 | 0 | 110.8 | K193 I345 L349 G350 D351 | K193-D347 WeakPolarHBondContact CE-OD1 3.39Å; K193-D347 IonicContact NZ-OD1 3.7Å; K193-D347 PolarHBondContact NZ-OD1 2.86Å; I345-D347 PolarHBondContact O-N 3.33Å; D347-L349 PolarHBondContact O-N 3.48Å; D347-G350 PolarHBondContact O-N 3.34Å; D347-D351 WeakPolarHBondContact O-CB 3.03Å; D347-D351 VanDerWaalsContact O-CG 3.23Å; D347-D351 PolarHBondContact O-N 2.92Å |
| 348 | A | 79.3 | Confident | 73.8 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F334 I345 R352 | F334-A348 HydrophobicContact CE1-CB 4.31Å; I345-A348 PolarHBondContact O-N 3.05Å; A348-R352 WeakPolarHBondContact O-CG 3.41Å; A348-R352 PolarHBondContact O-N 2.83Å; A348-R352 VanDerWaalsContact O-N 3.13Å |
| 349 | L | 80.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -41.2 | 178.1 | -177.6 | 59.6 | 0 | 0 | 0 | 111.1 | F186 I190 I271 Y299 I301 F334 I345 D347 R352 I353 | F186-L349 HydrophobicContact CE2-CD2 4.44Å; F186-L349 HydrophobicContact CZ-CD2 4.13Å; I190-L349 HydrophobicContact CD1-CD2 3.49Å; I190-L349 VanDerWaalsContact CD1-CD2 3.49Å; I190-L349 HydrophobicContact CD1-CG 3.99Å; I271-L349 HydrophobicContact CG2-CD2 4.32Å; Y299-L349 HydrophobicContact CD1-CD1 3.7Å; Y299-L349 HydrophobicContact CE1-CD1 4.15Å; Y299-L349 HydrophobicContact CG-CD1 4.08Å; I301-L349 HydrophobicContact CD1-CD2 3.62Å; F334-L349 HydrophobicContact CD2-CD1 4.3Å; F334-L349 HydrophobicContact CE2-CD1 3.67Å; F334-L349 HydrophobicContact CZ-CB 4.42Å; F334-L349 HydrophobicContact CZ-CD1 4.17Å; I345-L349 VanDerWaalsContact O-CB 3.22Å; I345-L349 WeakPolarHBondContact O-CB 3.23Å; I345-L349 PolarHBondContact O-N 3.14Å; D347-L349 PolarHBondContact O-N 3.48Å; L349-R352 PolarHBondContact O-N 2.9Å; L349-I353 HydrophobicContact CD1-CD1 4.08Å; L349-I353 HydrophobicContact CD1-CG1 4.47Å; L349-I353 HydrophobicContact CG-CD1 4.03Å; L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.33Å; L349-I353 PolarHBondContact O-N 3.39Å |
| 350 | G | 72.6 | Confident | 69.3 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -55.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V346 D347 R352 I353 F354 | V346-G350 PolarHBondContact O-N 2.78Å; D347-G350 PolarHBondContact O-N 3.34Å; G350-R352 VanDerWaalsContact C-N 3.31Å; G350-R352 PolarHBondContact O-N 3.15Å; G350-I353 PolarHBondContact O-N 2.88Å; G350-F354 WeakPolarHBondContact O-CD2 3.07Å; G350-F354 WeakPolarHBondContact O-CE2 3.13Å; G350-F354 WeakPolarHBondContact O-CG 3.5Å; G350-F354 PolarHBondContact O-N 2.81Å |
| 351 | D | 67.9 | Low | 67.2 | Low | 105 Ų | 105 | 43.2 Ų | 43.2 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57.8 | -40.4 | -179.9 | -70.8 | -13.7 | 0 | 0 | 0 | 112.3 | D347 F354 T355 | D347-D351 WeakPolarHBondContact O-CB 3.03Å; D347-D351 VanDerWaalsContact O-CG 3.23Å; D347-D351 PolarHBondContact O-N 2.92Å; D351-F354 PolarHBondContact O-N 3.21Å; D351-T355 WeakPolarHBondContact O-CG2 3.27Å; D351-T355 PolarHBondContact O-N 2.73Å; D351-T355 VanDerWaalsContact O-N 3.15Å |
| 352 | R | 71.4 | Confident | 64.8 | Low | 82 Ų | 82 | 46.4 Ų | 46.4 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 175.2 | -75.7 | -168 | -161.5 | -178.8 | -3.7 | 112.7 | Y299 D330 K331 A348 L349 G350 T355 | Y299-R352 HydrophobicContact CE1-CB 4.31Å; D330-R352 PolarHBondContact O-NH1 3.08Å; K331-R352 VanDerWaalsContact C-NH1 3.3Å; K331-R352 WeakPolarHBondContact O-CD 3.07Å; K331-R352 PolarHBondContact O-NH1 3.07Å; A348-R352 WeakPolarHBondContact O-CG 3.41Å; A348-R352 PolarHBondContact O-N 2.83Å; A348-R352 VanDerWaalsContact O-N 3.13Å; L349-R352 PolarHBondContact O-N 2.9Å; G350-R352 VanDerWaalsContact C-N 3.31Å; G350-R352 PolarHBondContact O-N 3.15Å; R352-T355 PolarHBondContact O-OG1 2.95Å |
| 353 | I | 67.6 | Low | 62.4 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70.6 | -39.3 | 176.5 | -68.1 | 167 | 0 | 0 | 0 | 110.7 | M165 I167 F194 I271 Y299 L349 G350 T355 L356 | M165-I353 HydrophobicContact CE-CG2 4.17Å; I167-I353 HydrophobicContact CD1-CG2 4.18Å; F194-I353 HydrophobicContact CE1-CB 4.46Å; F194-I353 HydrophobicContact CE1-CD1 4.21Å; F194-I353 HydrophobicContact CE1-CG2 4.11Å; F194-I353 HydrophobicContact CZ-CD1 3.85Å; I271-I353 HydrophobicContact CD1-CD1 3.63Å; I271-I353 HydrophobicContact CG1-CD1 4.48Å; Y299-I353 HydrophobicContact CE2-CG1 4.09Å; L349-I353 HydrophobicContact CD1-CD1 4.08Å; L349-I353 HydrophobicContact CD1-CG1 4.47Å; L349-I353 HydrophobicContact CG-CD1 4.03Å; L349-I353 VanDerWaalsContact O-CG1 3.3Å; L349-I353 WeakPolarHBondContact O-CG1 3.33Å; L349-I353 PolarHBondContact O-N 3.39Å; G350-I353 PolarHBondContact O-N 2.88Å; I353-T355 VanDerWaalsContact C-N 3.28Å; I353-T355 PolarHBondContact O-N 3.5Å; I353-L356 WeakPolarHBondContact O-CB 3.4Å; I353-L356 PolarHBondContact O-N 3.35Å |
| 354 | F | 58.3 | Low | 60.4 | Low | 47 Ų | 47 | 56.4 Ų | 56.4 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.6 | -29.7 | 177 | -66.6 | -60.5 | 0 | 0 | 0 | 113.1 | K193 F194 M201 G350 D351 L356 E357 | K193-F354 HydrophobicContact CB-CE2 4.32Å; K193-F354 HydrophobicContact CB-CZ 4.25Å; K193-F354 VanDerWaalsContact O-CZ 3.3Å; K193-F354 WeakPolarHBondContact O-CZ 3.32Å; F194-F354 HydrophobicContact CD1-CE1 4.32Å; F194-F354 AromaticContact CD1-CZ 3.94Å; F194-F354 HydrophobicContact CD1-CZ 3.94Å; F194-F354 HydrophobicContact CE1-CZ 4.44Å; M201-F354 HydrophobicContact CE-CD1 3.96Å; M201-F354 HydrophobicContact CE-CE1 3.62Å; G350-F354 WeakPolarHBondContact O-CD2 3.07Å; G350-F354 WeakPolarHBondContact O-CE2 3.13Å; G350-F354 WeakPolarHBondContact O-CG 3.5Å; G350-F354 PolarHBondContact O-N 2.81Å; D351-F354 PolarHBondContact O-N 3.21Å; F354-L356 PolarHBondContact O-N 2.81Å; F354-L356 VanDerWaalsContact O-N 3.15Å; F354-E357 PolarHBondContact O-N 2.83Å; F354-E357 VanDerWaalsContact O-N 3.13Å |
| 355 | T | 54.8 | Low | 58.7 | Low | 74 Ų | 74 | 54.7 Ų | 54.7 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14 | 173.4 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | D351 R352 I353 | D351-T355 WeakPolarHBondContact O-CG2 3.27Å; D351-T355 PolarHBondContact O-N 2.73Å; D351-T355 VanDerWaalsContact O-N 3.15Å; R352-T355 PolarHBondContact O-OG1 2.95Å; I353-T355 VanDerWaalsContact C-N 3.28Å; I353-T355 PolarHBondContact O-N 3.5Å |
| 356 | L | 52.6 | Low | 57.5 | Low | 20 Ų | 20 | 54.9 Ų | 54.9 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -22.4 | 173.8 | -67 | 163.2 | 0 | 0 | 0 | 113 | M165 V269 Y299 I353 F354 G358 A359 | M165-L356 HydrophobicContact SD-CB 4.26Å; V269-L356 HydrophobicContact CG2-CD1 4.15Å; Y299-L356 HydrophobicContact CE2-CD1 4.28Å; I353-L356 WeakPolarHBondContact O-CB 3.4Å; I353-L356 PolarHBondContact O-N 3.35Å; F354-L356 PolarHBondContact O-N 2.81Å; F354-L356 VanDerWaalsContact O-N 3.15Å; L356-G358 PolarHBondContact O-N 3.39Å; L356-A359 PolarHBondContact O-N 2.91Å |
| 357 | E | 48.1 | Very low | 56.9 | Low | 21 Ų | 21 | 57.7 Ų | 57.7 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.4 | 178.5 | -66.5 | -162.3 | 137.4 | 0 | 0 | 113.6 | T133 M165 M201 F354 | T133-E357 PolarHBondContact OG1-OE2 2.77Å; M165-E357 HydrophobicContact CE-CG 3.23Å; M165-E357 WeakPolarHBondContact CE-OE1 3.41Å; M165-E357 HydrophobicContact SD-CG 4.04Å; M201-E357 HydrophobicContact CE-CG 4.39Å; M201-E357 WeakPolarHBondContact CE-OE1 3.27Å; F354-E357 PolarHBondContact O-N 2.83Å; F354-E357 VanDerWaalsContact O-N 3.13Å |
| 358 | G | 42.7 | Very low | 57.2 | Low | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 8.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L356 | L356-G358 PolarHBondContact O-N 3.39Š|
| 359 | A | 39.3 | Very low | 57.5 | Low | 19 Ų | 19 | 56.3 Ų | 56.3 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | trans | -126.9 | 99.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L356 G361 Q364 | L356-A359 PolarHBondContact O-N 2.91Å; A359-G361 VanDerWaalsContact C-N 3.31Å; A359-G361 PolarHBondContact O-N 2.9Å; A359-Q364 VanDerWaalsContact CB-O 3.26Å; A359-Q364 WeakPolarHBondContact CB-O 3.33Å | ||
| 360 | L | 40.8 | Very low | 57.7 | Low | 118 Ų | 118 | 57.1 Ų | 57.1 | 62% | 0.618 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -74.5 | 87 | 163.8 | -79.5 | 165.4 | 0 | 0 | 0 | 109 | T163 | T163-L360 HydrophobicContact CG2-CD2 3.99Š|
| 361 | G | 42.2 | Very low | 58.4 | Low | 48 Ų | 48 | 58.3 Ų | 58.3 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 133.6 | 148.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115 | A359 N363 | A359-G361 VanDerWaalsContact C-N 3.31Å; A359-G361 PolarHBondContact O-N 2.9Å; G361-N363 PolarHBondContact O-N 2.9Å |
| 362 | Y | 37.1 | Very low | 59.5 | Low | 76 Ų | 76 | 53.3 Ų | 53.3 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 2 | -171.8 | -100.9 | -106 | 0 | 0 | 0 | 116.6 | N295 T297 | N295-Y362 WeakPolarHBondContact OD1-CE2 3.38Å; T297-Y362 PolarHBondContact OG1-OH 2.83Å |
| 363 | N | 38 | Very low | 60.6 | Low | 140 Ų | 140 | 50.6 Ų | 50.6 | 75% | 0.749 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.1 | 5.4 | -173 | -97.7 | -31.3 | 0 | 0 | 0 | 117.8 | G361 | G361-N363 PolarHBondContact O-N 2.9Š|
| 364 | Q | 41.8 | Very low | 61.8 | Low | 111 Ų | 111 | 50.6 Ų | 50.6 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | trans | -143.9 | 108.1 | -173.7 | -68.6 | -173.5 | -4.8 | 0 | 0 | 113 | A359 T366 | A359-Q364 VanDerWaalsContact CB-O 3.26Å; A359-Q364 WeakPolarHBondContact CB-O 3.33Å; Q364-T366 HydrophobicContact CB-CG2 3.8Å; Q364-T366 WeakPolarHBondContact CB-OG1 3.33Å; Q364-T366 HydrophobicContact CG-CG2 4.31Å; Q364-T366 PolarHBondContact O-N 2.82Å; Q364-T366 PolarHBondContact OE1-OG1 3.06Å | ||
| 365 | S | 49.9 | Very low | 63.4 | Low | 96 Ų | 96 | 48.3 Ų | 48.3 | 67% | 0.671 | 27% | 0.272 | S | S | * | . | trans | -76.8 | 69.8 | 159.1 | 58.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 366 | T | 61.3 | Low | 65.3 | Low | 24 Ų | 24 | 46.5 Ų | 46.5 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | trans | -127.2 | 126 | -174.5 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | Q364 D394 | Q364-T366 HydrophobicContact CB-CG2 3.8Å; Q364-T366 WeakPolarHBondContact CB-OG1 3.33Å; Q364-T366 HydrophobicContact CG-CG2 4.31Å; Q364-T366 PolarHBondContact O-N 2.82Å; Q364-T366 PolarHBondContact OE1-OG1 3.06Å; T366-D394 WeakPolarHBondContact CA-OD2 3.21Å; T366-D394 WeakPolarHBondContact CB-OD2 3.44Å; T366-D394 WeakPolarHBondContact CG2-OD2 3.32Å | ||
| 367 | F | 72.9 | Confident | 67.4 | Low | 67 Ų | 67 | 46.2 Ų | 46.2 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | trans | -77.1 | 125.3 | 172.7 | -60 | -73.9 | 0 | 0 | 0 | 109.3 | F136 E370 M371 Y393 D394 W395 | F136-F367 HydrophobicContact CE1-CE1 4.44Å; F367-E370 WeakPolarHBondContact CA-OE2 3.42Å; F367-E370 HydrophobicContact CD1-CB 4.22Å; F367-M371 HydrophobicContact CB-CG 4.34Å; F367-M371 HydrophobicContact CD1-CG 4.08Å; F367-M371 HydrophobicContact CG-CG 4.09Å; F367-Y393 CarbonylContact O-C 3.46Å; F367-Y393 WeakPolarHBondContact O-CA 3.25Å; F367-Y393 PolarHBondContact O-N 3.28Å; F367-D394 PolarHBondContact N-OD1 3.28Å; F367-D394 PolarHBondContact O-N 2.99Å; F367-W395 HydrophobicContact CD2-CH2 4.21Å; F367-W395 AromaticContact CD2-CZ3 3.98Å; F367-W395 HydrophobicContact CD2-CZ3 3.98Å; F367-W395 HydrophobicContact CE2-CH2 4.39Å; F367-W395 HydrophobicContact CE2-CZ3 4.39Å | ||
| 368 | H | 82.2 | Confident | 69.7 | Low | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -90.6 | -78.9 | 170.9 | -69.4 | -91.1 | 0 | 0 | 0 | 110.3 | E370 A392 Y393 | H368-E370 WeakPolarHBondContact CA-OE2 3.12Å; H368-E370 PolarHBondContact N-OE2 3.23Å; H368-A392 CarbonylContact O-C 3.51Å; H368-A392 VanDerWaalsContact O-CA 3.28Å; H368-A392 WeakPolarHBondContact O-CA 3.35Å; H368-Y393 HydrophobicContact CB-CD1 4.45Å; H368-Y393 HydrophobicContact CB-CE1 4.48Å; H368-Y393 AromaticContact ND1-CD1 3.97Å; H368-Y393 PolarHBondContact O-N 3.46Å |
| 369 | M | 86 | Confident | 72.2 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -118.8 | -3.6 | -175.2 | -65.5 | -57.4 | -154.5 | 0 | 0 | 113.8 | M371 S372 I389 A392 Y393 I409 | M369-M371 PolarHBondContact O-N 3.03Å; M369-S372 WeakPolarHBondContact O-CB 3.48Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 PolarHBondContact O-OG 3.09Å; M369-I389 HydrophobicContact CE-CD1 3.79Å; M369-I389 HydrophobicContact SD-CD1 4.16Å; M369-A392 HydrophobicContact SD-CB 3.68Å; M369-Y393 HydrophobicContact CE-CE2 4.19Å; M369-Y393 WeakPolarHBondContact CE-OH 3.36Å; M369-I409 HydrophobicContact CE-CG2 3.23Å |
| 370 | E | 83.9 | Confident | 74.7 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.7 | -178 | -58.4 | 72 | -150.2 | 0 | 0 | 111 | F136 S137 T138 Q159 F367 H368 | F136-E370 CarbonylContact C-O 3.58Å; F136-E370 HydrophobicContact CB-CB 4.23Å; F136-E370 WeakPolarHBondContact CB-O 3.3Å; F136-E370 HydrophobicContact CD1-CB 3.81Å; F136-E370 HydrophobicContact CD1-CG 4.39Å; F136-E370 HydrophobicContact CD2-CB 4.1Å; F136-E370 HydrophobicContact CD2-CG 4.14Å; F136-E370 HydrophobicContact CE1-CB 4.16Å; F136-E370 HydrophobicContact CE1-CG 4.33Å; F136-E370 HydrophobicContact CE2-CB 4.43Å; F136-E370 HydrophobicContact CE2-CG 4.07Å; F136-E370 HydrophobicContact CG-CB 3.79Å; F136-E370 HydrophobicContact CG-CG 4.32Å; F136-E370 HydrophobicContact CZ-CB 4.47Å; F136-E370 HydrophobicContact CZ-CG 4.17Å; S137-E370 CarbonylContact C-O 3.57Å; S137-E370 PolarHBondContact N-O 3.28Å; T138-E370 VanDerWaalsContact CG2-O 3.28Å; T138-E370 WeakPolarHBondContact CG2-O 3.37Å; T138-E370 PolarHBondContact N-O 2.93Å; Q159-E370 PolarHBondContact NE2-OE1 2.82Å; Q159-E370 PolarHBondContact OE1-OE1 2.8Å; F367-E370 WeakPolarHBondContact CA-OE2 3.42Å; F367-E370 HydrophobicContact CD1-CB 4.22Å; H368-E370 WeakPolarHBondContact CA-OE2 3.12Å; H368-E370 PolarHBondContact N-OE2 3.23Å |
| 371 | M | 87.7 | Confident | 77 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 23 | 177.6 | -57 | -56.6 | -70.1 | 0 | 0 | 112.5 | S137 F367 M369 Q373 G391 W395 | S137-M371 PolarHBondContact N-SD 3.47Å; S137-M371 CarbonylContact O-C 3.59Å; F367-M371 HydrophobicContact CB-CG 4.34Å; F367-M371 HydrophobicContact CD1-CG 4.08Å; F367-M371 HydrophobicContact CG-CG 4.09Å; M369-M371 PolarHBondContact O-N 3.03Å; M371-Q373 WeakPolarHBondContact O-CG 3.44Å; M371-Q373 PolarHBondContact O-N 3.08Å; M371-Q373 VanDerWaalsContact O-N 3.11Å; M371-G391 CarbonylContact O-C 3.14Å; M371-G391 WeakPolarHBondContact O-CA 3.42Å; M371-W395 HydrophobicContact CB-CZ2 4.12Å; M371-W395 HydrophobicContact CE-CZ2 4.01Å; M371-W395 HydrophobicContact CG-CH2 4.18Å; M371-W395 HydrophobicContact CG-CZ2 4.1Å |
| 372 | S | 91.5 | Very high | 79.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -57.9 | -28.6 | -170.8 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | T138 T157 M369 I374 I389 V390 G391 | T138-S372 PolarHBondContact O-OG 3.34Å; T157-S372 WeakPolarHBondContact CB-OG 3.47Å; T157-S372 PolarHBondContact OG1-OG 2.85Å; M369-S372 WeakPolarHBondContact O-CB 3.48Å; M369-S372 PolarHBondContact O-N 2.99Å; M369-S372 PolarHBondContact O-OG 3.09Å; S372-I374 VanDerWaalsContact C-N 3.34Å; S372-I374 PolarHBondContact O-N 3.45Å; S372-I389 CarbonylContact O-C 3.58Å; S372-I389 WeakPolarHBondContact O-CA 3.39Å; S372-V390 PolarHBondContact O-N 2.69Å; S372-G391 PolarHBondContact O-N 2.92Å | ||
| 373 | Q | 93.8 | Very high | 81.5 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | trans | 50.1 | 47.9 | 179.7 | -61.8 | -178.4 | -105.5 | 0 | 0 | 113.6 | P125 L126 S137 T138 M371 F376 | P125-Q373 WeakPolarHBondContact O-CA 3.43Å; P125-Q373 WeakPolarHBondContact O-CB 3.33Å; P125-Q373 WeakPolarHBondContact O-CG 3.43Å; L126-Q373 VanDerWaalsContact CD2-NE2 3.27Å; S137-Q373 VanDerWaalsContact O-CG 3.29Å; S137-Q373 WeakPolarHBondContact O-CG 3.29Å; S137-Q373 PolarHBondContact O-N 2.89Å; S137-Q373 VanDerWaalsContact O-N 3.12Å; T138-Q373 CarbonylContact O-C 3.44Å; T138-Q373 WeakPolarHBondContact O-CA 3.31Å; T138-Q373 PolarHBondContact O-N 2.78Å; T138-Q373 VanDerWaalsContact O-N 3.08Å; M371-Q373 WeakPolarHBondContact O-CG 3.44Å; M371-Q373 PolarHBondContact O-N 3.08Å; M371-Q373 VanDerWaalsContact O-N 3.11Å; Q373-F376 WeakPolarHBondContact O-CB 3.43Å; Q373-F376 PolarHBondContact O-N 2.77Å | ||
| 374 | I | 93.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 143.2 | 179.1 | -166.3 | 179 | 0 | 0 | 0 | 111.4 | P125 T138 G139 P156 S372 F376 F387 I389 L400 | P125-I374 WeakPolarHBondContact CA-O 3.28Å; T138-I374 WeakPolarHBondContact O-CG2 3.37Å; T138-I374 PolarHBondContact O-N 3Å; G139-I374 VanDerWaalsContact C-CG2 3.41Å; G139-I374 WeakPolarHBondContact O-CG2 3.47Å; P156-I374 HydrophobicContact CG-CD1 3.4Å; S372-I374 VanDerWaalsContact C-N 3.34Å; S372-I374 PolarHBondContact O-N 3.45Å; I374-F376 VanDerWaalsContact C-N 3.3Å; I374-F387 HydrophobicContact CD1-CB 4.14Å; I374-F387 HydrophobicContact CD1-CD1 3.94Å; I374-F387 HydrophobicContact CD1-CD2 4.27Å; I374-F387 HydrophobicContact CD1-CE1 4.43Å; I374-F387 HydrophobicContact CD1-CG 3.86Å; I374-F387 HydrophobicContact CG1-CB 3.8Å; I374-F387 HydrophobicContact CG1-CD1 3.65Å; I374-F387 HydrophobicContact CG1-CE1 4.43Å; I374-F387 HydrophobicContact CG1-CG 3.82Å; I374-I389 HydrophobicContact CB-CG2 4.06Å; I374-I389 HydrophobicContact CG1-CG2 4.09Å; I374-L400 HydrophobicContact CD1-CD1 4.26Å; I374-L400 HydrophobicContact CD1-CD2 4.14Å |
| 375 | G | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84 | 9.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T111 C123 S377 | T111-G375 WeakPolarHBondContact CB-O 3.22Å; T111-G375 PolarHBondContact OG1-O 2.77Å; C123-G375 WeakPolarHBondContact CB-O 3.14Å; G375-S377 PolarHBondContact O-N 3.32Å |
| 376 | F | 95.2 | Very high | 88.5 | Confident | 36 Ų | 36 | 31.3 Ų | 31.3 | 16% | 0.158 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | -40.1 | 169.8 | -165 | -78.9 | 0 | 0 | 0 | 110.8 | M110 T111 P125 Q373 I374 V390 Y432 | M110-F376 HydrophobicContact CE-CE2 4.05Å; M110-F376 HydrophobicContact CE-CZ 4.21Å; T111-F376 PolarHBondContact OG1-O 2.98Å; T111-F376 VanDerWaalsContact OG1-O 3.13Å; P125-F376 HydrophobicContact CB-CB 4.19Å; P125-F376 HydrophobicContact CB-CD2 4.3Å; Q373-F376 WeakPolarHBondContact O-CB 3.43Å; Q373-F376 PolarHBondContact O-N 2.77Å; I374-F376 VanDerWaalsContact C-N 3.3Å; F376-V390 HydrophobicContact CB-CG2 3.68Å; F376-V390 HydrophobicContact CD1-CG2 3.66Å; F376-V390 HydrophobicContact CD2-CG2 4.22Å; F376-V390 HydrophobicContact CE1-CG2 4.42Å; F376-V390 HydrophobicContact CG-CB 4.35Å; F376-V390 HydrophobicContact CG-CG2 3.56Å; F376-Y432 HydrophobicContact CD1-CD2 4.13Å; F376-Y432 HydrophobicContact CD1-CE2 4.35Å; F376-Y432 HydrophobicContact CD1-CG 4.34Å; F376-Y432 WeakPolarHBondContact CD1-O 3.44Å; F376-Y432 HydrophobicContact CE1-CD1 4.04Å; F376-Y432 AromaticContact CE1-CD2 3.33Å; F376-Y432 HydrophobicContact CE1-CD2 3.33Å; F376-Y432 AromaticContact CE1-CE1 3.91Å; F376-Y432 HydrophobicContact CE1-CE1 3.91Å; F376-Y432 AromaticContact CE1-CE2 3.18Å; F376-Y432 HydrophobicContact CE1-CE2 3.18Å; F376-Y432 AromaticContact CE1-CG 3.76Å; F376-Y432 HydrophobicContact CE1-CG 3.76Å; F376-Y432 AromaticContact CE1-CZ 3.47Å; F376-Y432 VanDerWaalsContact CE1-CZ 3.47Å; F376-Y432 HydrophobicContact CE2-CE2 4.4Å; F376-Y432 AromaticContact CZ-CD2 3.73Å; F376-Y432 HydrophobicContact CZ-CD2 3.73Å; F376-Y432 AromaticContact CZ-CE2 3.21Å; F376-Y432 HydrophobicContact CZ-CE2 3.21Å; F376-Y432 AromaticContact CZ-CZ 3.68Å |
| 377 | S | 96.7 | Very high | 90.2 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.9 | 164.9 | 64.6 | 0 | 0 | 0 | 0 | 110.2 | G375 G388 G431 Y432 T433 V434 | G375-S377 PolarHBondContact O-N 3.32Å; S377-G388 PolarHBondContact O-N 2.95Å; S377-G431 PolarHBondContact OG-O 3.03Å; S377-Y432 VanDerWaalsContact CB-O 3.29Å; S377-Y432 WeakPolarHBondContact CB-O 3.5Å; S377-Y432 PolarHBondContact OG-O 3.31Å; S377-T433 WeakPolarHBondContact OG-CA 2.93Å; S377-V434 PolarHBondContact OG-N 3.03Å |
| 378 | T | 96.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 27 Ų | 27 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.8 | -176.5 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | T111 T113 L121 L386 F387 | T111-T378 VanDerWaalsContact CG2-OG1 3.26Å; T111-T378 WeakPolarHBondContact CG2-OG1 3.45Å; T113-T378 PolarHBondContact OG1-OG1 3.07Å; L121-T378 HydrophobicContact CD2-CG2 3.84Å; T378-L386 CarbonylContact C-O 3.47Å; T378-L386 WeakPolarHBondContact CA-O 3.48Å; T378-F387 HydrophobicContact CG2-CD1 3.41Å; T378-F387 VanDerWaalsContact CG2-CD1 3.41Å; T378-F387 HydrophobicContact CG2-CE1 3.56Å; T378-F387 HydrophobicContact CG2-CG 4.36Å |
| 379 | H | 94.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 23 Ų | 23 | 21% | 0.213 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 123.3 | 176.2 | -177.4 | 80.1 | 0 | 0 | 0 | 110.4 | L386 V434 S436 | H379-L386 HydrophobicContact CB-CB 4.49Å; H379-L386 PolarHBondContact N-O 2.81Å; H379-L386 PolarHBondContact O-N 2.81Å; H379-V434 HydrophobicContact CB-CG2 3.98Å; H379-S436 PolarHBondContact NE2-N 3.36Å; H379-S436 PolarHBondContact NE2-OG 3.45Å |
| 380 | T | 91.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 22.1 Ų | 22.1 | 22% | 0.221 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.3 | -178.3 | -43.2 | 0 | 0 | 0 | 0 | 110.5 | T113 P114 | T113-T380 WeakPolarHBondContact CG2-OG1 3.5Å; P114-T380 PolarHBondContact O-OG1 2.93Å |
| 381 | L | 90.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 164.9 | 176.5 | -53.8 | 170.1 | 0 | 0 | 0 | 109.1 | D383 G384 L386 K401 Y446 | L381-D383 PolarHBondContact O-N 3.04Å; L381-G384 CarbonylContact C-O 3.55Å; L381-G384 WeakPolarHBondContact CA-O 3.38Å; L381-G384 WeakPolarHBondContact CB-O 3.41Å; L381-G384 PolarHBondContact N-O 2.85Å; L381-G384 VanDerWaalsContact O-O 3.06Å; L381-L386 HydrophobicContact CD1-CB 4.15Å; L381-K401 HydrophobicContact CD1-CD 4.23Å; L381-K401 HydrophobicContact CD1-CG 4.3Å; L381-Y446 HydrophobicContact CD1-CE1 3.58Å; L381-Y446 HydrophobicContact CD2-CD1 4.37Å; L381-Y446 HydrophobicContact CD2-CE1 3.75Å; L381-Y446 HydrophobicContact CG-CE1 4.32Å |
| 382 | D | 86.3 | Confident | 92.9 | Very high | 139 Ų | 139 | 20 Ų | 20 | 74% | 0.743 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25.8 | 175.8 | -48 | -44.7 | 0 | 0 | 0 | 112.9 | R444 | D382-R444 IonicContact OD2-CZ 2.75Å; D382-R444 VanDerWaalsContact OD2-CZ 3.31Å; D382-R444 IonicContact OD2-NH1 2.61Å; D382-R444 PolarHBondContact OD2-NH1 3.45Å; D382-R444 IonicContact OD2-NH2 2.81Å; D382-R444 PolarHBondContact OD2-NH2 3.4Å |
| 383 | D | 86.3 | Confident | 92.7 | Very high | 64 Ų | 64 | 21.5 Ų | 21.5 | 34% | 0.342 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 8.1 | -173.3 | 69.8 | -33.2 | 0 | 0 | 0 | 114 | L381 K401 G403 T404 | L381-D383 PolarHBondContact O-N 3.04Å; D383-K401 IonicContact OD1-NZ 3.11Å; D383-K401 PolarHBondContact OD1-NZ 3.36Å; D383-K401 WeakPolarHBondContact OD2-CE 3.39Å; D383-K401 IonicContact OD2-NZ 3.92Å; D383-K401 PolarHBondContact OD2-NZ 3.48Å; D383-G403 WeakPolarHBondContact O-CA 3.42Å; D383-T404 PolarHBondContact O-N 2.81Å |
| 384 | G | 89.4 | Confident | 92.3 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 20% | 0.196 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -153.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L381 E402 | L381-G384 CarbonylContact C-O 3.55Å; L381-G384 WeakPolarHBondContact CA-O 3.38Å; L381-G384 WeakPolarHBondContact CB-O 3.41Å; L381-G384 PolarHBondContact N-O 2.85Å; L381-G384 VanDerWaalsContact O-O 3.06Å; G384-E402 CarbonylContact C-O 3.55Å; G384-E402 WeakPolarHBondContact CA-O 3.29Å |
| 385 | I | 92.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.5 | -178.7 | -48.9 | 178.6 | 0 | 0 | 0 | 108.8 | L121 F387 E402 | L121-I385 HydrophobicContact CD1-CD1 4.4Å; L121-I385 HydrophobicContact CD2-CD1 4.12Å; L121-I385 HydrophobicContact CD2-CG2 4.3Å; I385-F387 HydrophobicContact CB-CD2 4.38Å; I385-F387 HydrophobicContact CB-CE2 3.72Å; I385-F387 HydrophobicContact CB-CZ 4.06Å; I385-F387 HydrophobicContact CD1-CZ 4.37Å; I385-F387 HydrophobicContact CG2-CD2 4.21Å; I385-F387 HydrophobicContact CG2-CE1 4.25Å; I385-F387 HydrophobicContact CG2-CE2 3.74Å; I385-F387 HydrophobicContact CG2-CZ 3.75Å; I385-E402 PolarHBondContact N-O 2.91Å; I385-E402 PolarHBondContact O-N 2.91Å |
| 386 | L | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.2 | 167.7 | -174 | 68.5 | 0 | 0 | 0 | 109.5 | T378 H379 L381 V399 K401 V434 Y446 | T378-L386 CarbonylContact C-O 3.47Å; T378-L386 WeakPolarHBondContact CA-O 3.48Å; H379-L386 HydrophobicContact CB-CB 4.49Å; H379-L386 PolarHBondContact N-O 2.81Å; H379-L386 PolarHBondContact O-N 2.81Å; L381-L386 HydrophobicContact CD1-CB 4.15Å; L386-V399 HydrophobicContact CD1-CB 4.05Å; L386-V399 HydrophobicContact CD1-CG2 4.37Å; L386-K401 HydrophobicContact CD1-CB 4.23Å; L386-V434 HydrophobicContact CD2-CB 3.86Å; L386-V434 HydrophobicContact CD2-CG1 4.36Å; L386-V434 HydrophobicContact CD2-CG2 4.45Å; L386-V434 HydrophobicContact CG-CB 4.17Å; L386-V434 HydrophobicContact CG-CG1 4.44Å; L386-V434 HydrophobicContact CG-CG2 4.35Å; L386-Y446 HydrophobicContact CD2-CD1 3.77Å; L386-Y446 HydrophobicContact CD2-CG 4.25Å |
| 387 | F | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.3 | 177.6 | -67.2 | -89 | 0 | 0 | 0 | 110.8 | L121 C141 I154 I374 T378 I385 V399 L400 E402 | L121-F387 HydrophobicContact CD2-CE1 3.84Å; L121-F387 HydrophobicContact CD2-CZ 4.06Å; C141-F387 HydrophobicContact CB-CE1 4.38Å; I154-F387 HydrophobicContact CD1-CZ 4.36Å; I154-F387 HydrophobicContact CG2-CE2 4.22Å; I154-F387 HydrophobicContact CG2-CZ 3.85Å; I374-F387 HydrophobicContact CD1-CB 4.14Å; I374-F387 HydrophobicContact CD1-CD1 3.94Å; I374-F387 HydrophobicContact CD1-CD2 4.27Å; I374-F387 HydrophobicContact CD1-CE1 4.43Å; I374-F387 HydrophobicContact CD1-CG 3.86Å; I374-F387 HydrophobicContact CG1-CB 3.8Å; I374-F387 HydrophobicContact CG1-CD1 3.65Å; I374-F387 HydrophobicContact CG1-CE1 4.43Å; I374-F387 HydrophobicContact CG1-CG 3.82Å; T378-F387 HydrophobicContact CG2-CD1 3.41Å; T378-F387 VanDerWaalsContact CG2-CD1 3.41Å; T378-F387 HydrophobicContact CG2-CE1 3.56Å; T378-F387 HydrophobicContact CG2-CG 4.36Å; I385-F387 HydrophobicContact CB-CD2 4.38Å; I385-F387 HydrophobicContact CB-CE2 3.72Å; I385-F387 HydrophobicContact CB-CZ 4.06Å; I385-F387 HydrophobicContact CD1-CZ 4.37Å; I385-F387 HydrophobicContact CG2-CD2 4.21Å; I385-F387 HydrophobicContact CG2-CE1 4.25Å; I385-F387 HydrophobicContact CG2-CE2 3.74Å; I385-F387 HydrophobicContact CG2-CZ 3.75Å; F387-V399 CarbonylContact O-C 3.55Å; F387-V399 VanDerWaalsContact O-CA 3.23Å; F387-V399 WeakPolarHBondContact O-CA 3.46Å; F387-L400 HydrophobicContact CB-CB 4.3Å; F387-L400 HydrophobicContact CB-CD2 4.3Å; F387-L400 HydrophobicContact CD2-CD2 3.71Å; F387-L400 HydrophobicContact CE2-CD2 4.49Å; F387-L400 HydrophobicContact CG-CD2 4.32Å; F387-L400 PolarHBondContact N-O 3.03Å; F387-L400 PolarHBondContact O-N 2.66Å; F387-E402 HydrophobicContact CD2-CB 4.44Å; F387-E402 HydrophobicContact CE2-CB 3.94Å |
| 388 | G | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.2 | 161 | 0 | 0 | 0 | 0 | 0 | 111.7 | S377 G431 | S377-G388 PolarHBondContact O-N 2.95Å; G388-G431 VanDerWaalsContact CA-O 3.26Å; G388-G431 WeakPolarHBondContact CA-O 3.06Å |
| 389 | I | 95.7 | Very high | 92 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 73.3 | 177.2 | 50.2 | 169.4 | 0 | 0 | 0 | 110.3 | M369 S372 I374 G391 A392 G397 G398 L400 | M369-I389 HydrophobicContact CE-CD1 3.79Å; M369-I389 HydrophobicContact SD-CD1 4.16Å; S372-I389 CarbonylContact O-C 3.58Å; S372-I389 WeakPolarHBondContact O-CA 3.39Å; I374-I389 HydrophobicContact CB-CG2 4.06Å; I374-I389 HydrophobicContact CG1-CG2 4.09Å; I389-G391 VanDerWaalsContact C-N 3.33Å; I389-G391 PolarHBondContact O-N 2.77Å; I389-A392 HydrophobicContact CB-CB 4.25Å; I389-A392 HydrophobicContact CD1-CB 3.86Å; I389-A392 HydrophobicContact CG1-CB 4.07Å; I389-A392 WeakPolarHBondContact O-CB 3.31Å; I389-A392 PolarHBondContact O-N 2.88Å; I389-G397 WeakPolarHBondContact O-CA 3.48Å; I389-G398 VanDerWaalsContact CG1-O 3.32Å; I389-G398 WeakPolarHBondContact CG1-O 3.38Å; I389-G398 PolarHBondContact N-O 2.91Å; I389-G398 PolarHBondContact O-N 3.27Å; I389-L400 HydrophobicContact CD1-CB 4.47Å; I389-L400 HydrophobicContact CG2-CB 4.21Å |
| 390 | V | 95.6 | Very high | 92 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.9 | -164.6 | -178.8 | 0 | 0 | 0 | 0 | 114.1 | S372 F376 G397 Y429 G431 Y432 | S372-V390 PolarHBondContact O-N 2.69Å; F376-V390 HydrophobicContact CB-CG2 3.68Å; F376-V390 HydrophobicContact CD1-CG2 3.66Å; F376-V390 HydrophobicContact CD2-CG2 4.22Å; F376-V390 HydrophobicContact CE1-CG2 4.42Å; F376-V390 HydrophobicContact CG-CB 4.35Å; F376-V390 HydrophobicContact CG-CG2 3.56Å; V390-G397 WeakPolarHBondContact O-CA 3.44Å; V390-Y429 HydrophobicContact CG1-CD1 3.9Å; V390-Y429 HydrophobicContact CG1-CD2 3.98Å; V390-Y429 HydrophobicContact CG1-CG 3.56Å; V390-G431 WeakPolarHBondContact CG2-O 3.47Å; V390-Y432 HydrophobicContact CG1-CD2 4.42Å |
| 391 | G | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 8.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M371 S372 I389 W395 | M371-G391 CarbonylContact O-C 3.14Å; M371-G391 WeakPolarHBondContact O-CA 3.42Å; S372-G391 PolarHBondContact O-N 2.92Å; I389-G391 VanDerWaalsContact C-N 3.33Å; I389-G391 PolarHBondContact O-N 2.77Å; G391-W395 VanDerWaalsContact CA-CD1 3.49Å; G391-W395 PolarHBondContact O-N 2.74Å |
| 392 | A | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.7 | 146.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H368 M369 I389 W395 D396 G397 | H368-A392 CarbonylContact O-C 3.51Å; H368-A392 VanDerWaalsContact O-CA 3.28Å; H368-A392 WeakPolarHBondContact O-CA 3.35Å; M369-A392 HydrophobicContact SD-CB 3.68Å; I389-A392 HydrophobicContact CB-CB 4.25Å; I389-A392 HydrophobicContact CD1-CB 3.86Å; I389-A392 HydrophobicContact CG1-CB 4.07Å; I389-A392 WeakPolarHBondContact O-CB 3.31Å; I389-A392 PolarHBondContact O-N 2.88Å; A392-W395 PolarHBondContact O-N 2.8Å; A392-D396 PolarHBondContact O-N 2.89Å; A392-G397 PolarHBondContact O-N 2.96Å |
| 393 | Y | 87.5 | Confident | 92.1 | Very high | 30 Ų | 30 | 16.4 Ų | 16.4 | 12% | 0.118 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | 53.9 | 56.5 | 174.5 | -49.1 | -63.9 | 0 | 0 | 0 | 113.4 | F367 H368 M369 W395 D396 P410 R412 | F367-Y393 CarbonylContact O-C 3.46Å; F367-Y393 WeakPolarHBondContact O-CA 3.25Å; F367-Y393 PolarHBondContact O-N 3.28Å; H368-Y393 HydrophobicContact CB-CD1 4.45Å; H368-Y393 HydrophobicContact CB-CE1 4.48Å; H368-Y393 AromaticContact ND1-CD1 3.97Å; H368-Y393 PolarHBondContact O-N 3.46Å; M369-Y393 HydrophobicContact CE-CE2 4.19Å; M369-Y393 WeakPolarHBondContact CE-OH 3.36Å; Y393-W395 VanDerWaalsContact C-N 3.34Å; Y393-W395 PolarHBondContact O-N 3.48Å; Y393-D396 WeakPolarHBondContact O-CB 3.43Å; Y393-D396 PolarHBondContact O-N 2.95Å; Y393-P410 PolarHBondContact OH-O 2.83Å; Y393-R412 HydrophobicContact CD1-CB 3.85Å; Y393-R412 HydrophobicContact CD1-CG 4.43Å; Y393-R412 HydrophobicContact CD2-CB 3.96Å; Y393-R412 HydrophobicContact CD2-CG 4.37Å; Y393-R412 HydrophobicContact CE1-CB 3.98Å; Y393-R412 HydrophobicContact CE2-CB 4.07Å; Y393-R412 HydrophobicContact CG-CB 3.83Å; Y393-R412 HydrophobicContact CG-CG 4.09Å |
| 394 | D | 85.1 | Confident | 91.7 | Very high | 25 Ų | 25 | 19.2 Ų | 19.2 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | 56.5 | 44.1 | -175.5 | -58.9 | -60.9 | 0 | 0 | 0 | 113 | T366 F367 D396 K424 | T366-D394 WeakPolarHBondContact CA-OD2 3.21Å; T366-D394 WeakPolarHBondContact CB-OD2 3.44Å; T366-D394 WeakPolarHBondContact CG2-OD2 3.32Å; F367-D394 PolarHBondContact N-OD1 3.28Å; F367-D394 PolarHBondContact O-N 2.99Å; D394-D396 PolarHBondContact O-N 2.82Å; D394-K424 WeakPolarHBondContact OD2-CE 3.45Å; D394-K424 IonicContact OD2-NZ 3.55Å; D394-K424 PolarHBondContact OD2-NZ 3.45Å |
| 395 | W | 90.9 | Very high | 91.1 | Very high | 73 Ų | 73 | 24.7 Ų | 24.7 | 28% | 0.277 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | 61.6 | 16.9 | -177.3 | -60.8 | -92.4 | 0 | 0 | 0 | 115.7 | F367 M371 G391 A392 Y393 G397 A427 A428 Y429 | F367-W395 HydrophobicContact CD2-CH2 4.21Å; F367-W395 AromaticContact CD2-CZ3 3.98Å; F367-W395 HydrophobicContact CD2-CZ3 3.98Å; F367-W395 HydrophobicContact CE2-CH2 4.39Å; F367-W395 HydrophobicContact CE2-CZ3 4.39Å; M371-W395 HydrophobicContact CB-CZ2 4.12Å; M371-W395 HydrophobicContact CE-CZ2 4.01Å; M371-W395 HydrophobicContact CG-CH2 4.18Å; M371-W395 HydrophobicContact CG-CZ2 4.1Å; G391-W395 VanDerWaalsContact CA-CD1 3.49Å; G391-W395 PolarHBondContact O-N 2.74Å; A392-W395 PolarHBondContact O-N 2.8Å; Y393-W395 VanDerWaalsContact C-N 3.34Å; Y393-W395 PolarHBondContact O-N 3.48Å; W395-G397 PolarHBondContact O-N 3.34Å; W395-A427 HydrophobicContact CB-CB 3.65Å; W395-A427 CarbonylContact O-C 3.56Å; W395-A427 WeakPolarHBondContact O-CA 3.31Å; W395-A428 PolarHBondContact O-N 2.79Å; W395-Y429 HydrophobicContact CB-CD1 3.94Å; W395-Y429 HydrophobicContact CB-CE1 3.72Å; W395-Y429 AromaticContact CD1-CE1 3.7Å; W395-Y429 AromaticContact CG-CE1 3.97Å; W395-Y429 HydrophobicContact CG-CE1 3.97Å; W395-Y429 PolarHBondContact O-N 2.94Å |
| 396 | D | 90.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -36.9 | 160.6 | -82.4 | -20.7 | 0 | 0 | 0 | 110.1 | A392 Y393 D394 R412 K424 Y429 L430 | A392-D396 PolarHBondContact O-N 2.89Å; Y393-D396 WeakPolarHBondContact O-CB 3.43Å; Y393-D396 PolarHBondContact O-N 2.95Å; D394-D396 PolarHBondContact O-N 2.82Å; D396-R412 IonicContact OD2-CZ 3.98Å; D396-R412 IonicContact OD2-NH1 3.74Å; D396-R412 PolarHBondContact OD2-NH1 2.69Å; D396-R412 IonicContact OD2-NH2 3.74Å; D396-R412 PolarHBondContact OD2-NH2 2.83Å; D396-K424 WeakPolarHBondContact OD1-CA 3.3Å; D396-K424 VanDerWaalsContact OD1-O 3.08Å; D396-K424 WeakPolarHBondContact OD2-CG 3.09Å; D396-Y429 PolarHBondContact O-N 3.11Å; D396-L430 VanDerWaalsContact O-CB 3.31Å; D396-L430 WeakPolarHBondContact O-CB 3.36Å; D396-L430 PolarHBondContact O-N 3.08Å |
| 397 | G | 93.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | 84.4 | -177.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I389 V390 A392 W395 L430 | I389-G397 WeakPolarHBondContact O-CA 3.48Å; V390-G397 WeakPolarHBondContact O-CA 3.44Å; A392-G397 PolarHBondContact O-N 2.96Å; W395-G397 PolarHBondContact O-N 3.34Å; G397-L430 CarbonylContact C-O 3.53Å; G397-L430 VanDerWaalsContact CA-O 3.3Å; G397-L430 WeakPolarHBondContact CA-O 3.19Å |
| 398 | G | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | 178 | -169.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I389 L430 G431 | I389-G398 VanDerWaalsContact CG1-O 3.32Å; I389-G398 WeakPolarHBondContact CG1-O 3.38Å; I389-G398 PolarHBondContact N-O 2.91Å; I389-G398 PolarHBondContact O-N 3.27Å; G398-L430 PolarHBondContact N-O 3.3Å; G398-G431 WeakPolarHBondContact O-CA 3.35Å | ||
| 399 | V | 96.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.6 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | L386 F387 P410 F415 V434 A448 F462 | L386-V399 HydrophobicContact CD1-CB 4.05Å; L386-V399 HydrophobicContact CD1-CG2 4.37Å; F387-V399 CarbonylContact O-C 3.55Å; F387-V399 VanDerWaalsContact O-CA 3.23Å; F387-V399 WeakPolarHBondContact O-CA 3.46Å; V399-P410 HydrophobicContact CG2-CG 4.2Å; V399-P410 WeakPolarHBondContact O-CD 3.39Å; V399-F415 HydrophobicContact CG2-CE2 4.45Å; V399-F415 HydrophobicContact CG2-CZ 4.04Å; V399-V434 HydrophobicContact CG1-CG1 3.86Å; V399-A448 HydrophobicContact CG1-CB 3.81Å; V399-F462 HydrophobicContact CB-CZ 4.43Å; V399-F462 HydrophobicContact CG1-CZ 4.05Å; V399-F462 HydrophobicContact CG2-CE2 3.94Å; V399-F462 HydrophobicContact CG2-CZ 3.68Å |
| 400 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.8 | 173.3 | 174.3 | 156.2 | 0 | 0 | 0 | 107.8 | P156 T157 I374 F387 I389 E402 V407 I409 | P156-L400 HydrophobicContact CB-CD1 4.1Å; P156-L400 HydrophobicContact CG-CD1 3.6Å; P156-L400 HydrophobicContact CG-CD2 3.93Å; P156-L400 HydrophobicContact CG-CG 4.46Å; T157-L400 HydrophobicContact CG2-CD1 3.96Å; I374-L400 HydrophobicContact CD1-CD1 4.26Å; I374-L400 HydrophobicContact CD1-CD2 4.14Å; F387-L400 HydrophobicContact CB-CB 4.3Å; F387-L400 HydrophobicContact CB-CD2 4.3Å; F387-L400 HydrophobicContact CD2-CD2 3.71Å; F387-L400 HydrophobicContact CE2-CD2 4.49Å; F387-L400 HydrophobicContact CG-CD2 4.32Å; F387-L400 PolarHBondContact N-O 3.03Å; F387-L400 PolarHBondContact O-N 2.66Å; I389-L400 HydrophobicContact CD1-CB 4.47Å; I389-L400 HydrophobicContact CG2-CB 4.21Å; L400-E402 HydrophobicContact CD2-CB 4.41Å; L400-V407 HydrophobicContact CD1-CG1 3.93Å; L400-V407 HydrophobicContact CD2-CG1 3.87Å; L400-V407 HydrophobicContact CG-CG1 3.86Å; L400-I409 HydrophobicContact CD1-CD1 3.65Å; L400-I409 HydrophobicContact CD1-CG1 3.65Å; L400-I409 HydrophobicContact CG-CG1 3.98Å |
| 401 | K | 94.1 | Very high | 89.7 | Confident | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.6 | 174.4 | -178.1 | -177.2 | 173.7 | -173.3 | 0 | 109.1 | L381 D383 L386 I408 Y446 L464 | L381-K401 HydrophobicContact CD1-CD 4.23Å; L381-K401 HydrophobicContact CD1-CG 4.3Å; D383-K401 IonicContact OD1-NZ 3.11Å; D383-K401 PolarHBondContact OD1-NZ 3.36Å; D383-K401 WeakPolarHBondContact OD2-CE 3.39Å; D383-K401 IonicContact OD2-NZ 3.92Å; D383-K401 PolarHBondContact OD2-NZ 3.48Å; L386-K401 HydrophobicContact CD1-CB 4.23Å; K401-I408 HydrophobicContact CB-CB 4.44Å; K401-I408 HydrophobicContact CD-CD1 4.47Å; K401-I408 PolarHBondContact N-O 3.13Å; K401-I408 PolarHBondContact O-N 2.8Å; K401-Y446 PolarHBondContact NZ-OH 3.17Å; K401-L464 HydrophobicContact CB-CD2 3.76Å; K401-L464 HydrophobicContact CD-CD2 4.25Å |
| 402 | E | 90.8 | Very high | 89.5 | Confident | 53 Ų | 53 | 37.4 Ų | 37.4 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.9 | 169.5 | -177.1 | 174.4 | -144.1 | 0 | 0 | 108.1 | I154 G384 I385 F387 L400 V407 | I154-E402 WeakPolarHBondContact CD1-OE2 3.24Å; I154-E402 WeakPolarHBondContact CG1-OE2 3.39Å; I154-E402 WeakPolarHBondContact CG2-OE2 3.43Å; G384-E402 CarbonylContact C-O 3.55Å; G384-E402 WeakPolarHBondContact CA-O 3.29Å; I385-E402 PolarHBondContact N-O 2.91Å; I385-E402 PolarHBondContact O-N 2.91Å; F387-E402 HydrophobicContact CD2-CB 4.44Å; F387-E402 HydrophobicContact CE2-CB 3.94Å; L400-E402 HydrophobicContact CD2-CB 4.41Å; E402-V407 HydrophobicContact CG-CG2 4.25Å |
| 403 | G | 85.5 | Confident | 89.4 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | -178.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D383 N405 G406 | D383-G403 WeakPolarHBondContact O-CA 3.42Å; G403-N405 PolarHBondContact O-N 3.24Å; G403-G406 PolarHBondContact N-O 3.42Å; G403-G406 PolarHBondContact O-N 2.78Å |
| 404 | T | 78.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 42.2 Ų | 42.2 | 76% | 0.761 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.6 | 178.3 | 52 | 0 | 0 | 0 | 0 | 113.8 | D383 G406 | D383-T404 PolarHBondContact O-N 2.81Å; T404-G406 VanDerWaalsContact C-N 3.31Å |
| 405 | N | 76.3 | Confident | 90 | Very high | 134 Ų | 134 | 41.6 Ų | 41.6 | 72% | 0.717 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 1.8 | 179 | -66.5 | -16.6 | 0 | 0 | 0 | 113.7 | G403 E466 | G403-N405 PolarHBondContact O-N 3.24Å; N405-E466 PolarHBondContact ND2-OE1 2.97Å |
| 406 | G | 85.6 | Confident | 89.9 | Confident | 34 Ų | 34 | 42 Ų | 42 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.6 | -167 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G403 T404 | G403-G406 PolarHBondContact N-O 3.42Å; G403-G406 PolarHBondContact O-N 2.78Å; T404-G406 VanDerWaalsContact C-N 3.31Å |
| 407 | V | 90.5 | Very high | 89.9 | Confident | 67 Ų | 67 | 45.9 Ų | 45.9 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 110 | P156 L400 E402 I409 | P156-V407 HydrophobicContact CB-CG1 3.93Å; P156-V407 HydrophobicContact CB-CG2 4.1Å; L400-V407 HydrophobicContact CD1-CG1 3.93Å; L400-V407 HydrophobicContact CD2-CG1 3.87Å; L400-V407 HydrophobicContact CG-CG1 3.86Å; E402-V407 HydrophobicContact CG-CG2 4.25Å; V407-I409 HydrophobicContact CG1-CD1 4.15Å; V407-I409 HydrophobicContact CG1-CG1 3.8Å |
| 408 | I | 92.9 | Very high | 89.9 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.5 | 176 | -57.8 | 163.4 | 0 | 0 | 0 | 108.3 | K401 L464 | K401-I408 HydrophobicContact CB-CB 4.44Å; K401-I408 HydrophobicContact CD-CD1 4.47Å; K401-I408 PolarHBondContact N-O 3.13Å; K401-I408 PolarHBondContact O-N 2.8Å; I408-L464 HydrophobicContact CG2-CD1 4.04Å; I408-L464 HydrophobicContact CG2-CD2 4.25Å; I408-L464 HydrophobicContact CG2-CG 4.27Å |
| 409 | I | 91.5 | Very high | 89.7 | Confident | 62 Ų | 62 | 48.8 Ų | 48.8 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | trans | -121.6 | 105.6 | 178.9 | -52.1 | -173.3 | 0 | 0 | 0 | 107.8 | M369 L400 V407 | M369-I409 HydrophobicContact CE-CG2 3.23Å; L400-I409 HydrophobicContact CD1-CD1 3.65Å; L400-I409 HydrophobicContact CD1-CG1 3.65Å; L400-I409 HydrophobicContact CG-CG1 3.98Å; V407-I409 HydrophobicContact CG1-CD1 4.15Å; V407-I409 HydrophobicContact CG1-CG1 3.8Å | ||
| 410 | P | 92.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | trans | -59.8 | 135.9 | 171.6 | -22.6 | 34.9 | 0 | 0 | 0 | 110.8 | Y393 V399 A414 F415 L464 V470 | Y393-P410 PolarHBondContact OH-O 2.83Å; V399-P410 HydrophobicContact CG2-CG 4.2Å; V399-P410 WeakPolarHBondContact O-CD 3.39Å; P410-A414 HydrophobicContact CB-CB 4.02Å; P410-F415 HydrophobicContact CB-CE2 3.97Å; P410-F415 HydrophobicContact CG-CE2 4.37Å; P410-L464 HydrophobicContact CG-CD1 3.66Å; P410-V470 HydrophobicContact CB-CG2 3.82Å; P410-V470 HydrophobicContact CG-CG2 3.95Å | ||
| 411 | P | 90 | Very high | 88.4 | Confident | 59 Ų | 59 | 55 Ų | 55 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -69.7 | 162.9 | 171.5 | 34.1 | -37.7 | 0 | 0 | 0 | 110.4 | E413 A414 | P411-E413 WeakPolarHBondContact CB-OE2 3.45Å; P411-E413 PolarHBondContact O-N 2.74Å; P411-A414 HydrophobicContact CG-CB 4.24Å; P411-A414 WeakPolarHBondContact O-CB 3.43Å; P411-A414 PolarHBondContact O-N 2.98Å | ||
| 412 | R | 87.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -52.2 | -43 | 178.9 | 179.5 | -146.4 | 168 | 73.1 | 14.7 | 111.8 | Y393 D396 A414 F415 K424 | Y393-R412 HydrophobicContact CD1-CB 3.85Å; Y393-R412 HydrophobicContact CD1-CG 4.43Å; Y393-R412 HydrophobicContact CD2-CB 3.96Å; Y393-R412 HydrophobicContact CD2-CG 4.37Å; Y393-R412 HydrophobicContact CE1-CB 3.98Å; Y393-R412 HydrophobicContact CE2-CB 4.07Å; Y393-R412 HydrophobicContact CG-CB 3.83Å; Y393-R412 HydrophobicContact CG-CG 4.09Å; D396-R412 IonicContact OD2-CZ 3.98Å; D396-R412 IonicContact OD2-NH1 3.74Å; D396-R412 PolarHBondContact OD2-NH1 2.69Å; D396-R412 IonicContact OD2-NH2 3.74Å; D396-R412 PolarHBondContact OD2-NH2 2.83Å; R412-A414 PolarHBondContact O-N 2.82Å; R412-A414 VanDerWaalsContact O-N 3.14Å; R412-F415 PolarHBondContact O-N 2.87Å; R412-K424 VanDerWaalsContact NH1-CD 3.27Å |
| 413 | E | 88.9 | Confident | 86.8 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -62.5 | -22.1 | -175.3 | -61 | 70.6 | -149.6 | 0 | 0 | 112.1 | P411 F415 E416 | P411-E413 WeakPolarHBondContact CB-OE2 3.45Å; P411-E413 PolarHBondContact O-N 2.74Å; E413-F415 PolarHBondContact O-N 2.84Å; E413-F415 VanDerWaalsContact O-N 3.16Å; E413-E416 VanDerWaalsContact O-CB 3.32Å; E413-E416 WeakPolarHBondContact O-CB 3.31Å; E413-E416 PolarHBondContact O-N 3.42Å; E413-E416 VanDerWaalsContact O-N 3.15Å |
| 414 | A | 90.9 | Very high | 85.9 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -61.8 | -24.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | P410 P411 R412 V470 | P410-A414 HydrophobicContact CB-CB 4.02Å; P411-A414 HydrophobicContact CG-CB 4.24Å; P411-A414 WeakPolarHBondContact O-CB 3.43Å; P411-A414 PolarHBondContact O-N 2.98Å; R412-A414 PolarHBondContact O-N 2.82Å; R412-A414 VanDerWaalsContact O-N 3.14Å; A414-V470 HydrophobicContact CB-CB 3.97Å; A414-V470 HydrophobicContact CB-CG2 3.82Å |
| 415 | F | 93.2 | Very high | 85.2 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.048 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -107.6 | 4.3 | 179.1 | -67 | -76.9 | 0 | 0 | 0 | 113.6 | V399 P410 R412 E413 S417 E418 F419 L430 F462 V470 I472 | V399-F415 HydrophobicContact CG2-CE2 4.45Å; V399-F415 HydrophobicContact CG2-CZ 4.04Å; P410-F415 HydrophobicContact CB-CE2 3.97Å; P410-F415 HydrophobicContact CG-CE2 4.37Å; R412-F415 PolarHBondContact O-N 2.87Å; E413-F415 PolarHBondContact O-N 2.84Å; E413-F415 VanDerWaalsContact O-N 3.16Å; F415-S417 PolarHBondContact O-N 2.82Å; F415-S417 VanDerWaalsContact O-N 3.15Å; F415-E418 PolarHBondContact O-N 3.18Å; F415-E418 VanDerWaalsContact O-N 3.08Å; F415-F419 HydrophobicContact CB-CD2 3.91Å; F415-F419 WeakPolarHBondContact O-CD2 3.46Å; F415-F419 PolarHBondContact O-N 2.78Å; F415-L430 HydrophobicContact CB-CD2 4.35Å; F415-L430 HydrophobicContact CD1-CD2 3.83Å; F415-L430 HydrophobicContact CD2-CD2 4.01Å; F415-L430 HydrophobicContact CE1-CD2 4.08Å; F415-L430 HydrophobicContact CE2-CD2 4.24Å; F415-L430 HydrophobicContact CG-CD2 3.79Å; F415-L430 HydrophobicContact CZ-CD2 4.28Å; F415-F462 HydrophobicContact CE1-CD1 4.17Å; F415-F462 HydrophobicContact CE1-CD2 4.5Å; F415-F462 HydrophobicContact CE1-CE1 4.24Å; F415-F462 HydrophobicContact CE1-CG 4.32Å; F415-F462 HydrophobicContact CE1-CZ 4.42Å; F415-F462 HydrophobicContact CZ-CE1 4.48Å; F415-F462 HydrophobicContact CZ-CE2 4.25Å; F415-F462 HydrophobicContact CZ-CZ 4.24Å; F415-V470 HydrophobicContact CD1-CG1 4.3Å; F415-V470 HydrophobicContact CE1-CG1 3.75Å; F415-V470 HydrophobicContact CE1-CG2 4.49Å; F415-V470 HydrophobicContact CE2-CG2 4.23Å; F415-V470 HydrophobicContact CZ-CG1 4.04Å; F415-V470 HydrophobicContact CZ-CG2 3.97Å; F415-I472 HydrophobicContact CD1-CD1 4.22Å |
| 416 | E | 89.2 | Confident | 84.9 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -32.6 | -170.8 | -171.1 | 178.5 | 172.9 | 0 | 0 | 113.6 | E413 E418 F419 P420 L421 | E413-E416 VanDerWaalsContact O-CB 3.32Å; E413-E416 WeakPolarHBondContact O-CB 3.31Å; E413-E416 PolarHBondContact O-N 3.42Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E416-E418 PolarHBondContact O-N 3.01Å; E416-F419 CarbonylContact O-C 3.17Å; E416-F419 VanDerWaalsContact O-C 3.31Å; E416-F419 PolarHBondContact O-N 2.93Å; E416-P420 WeakPolarHBondContact O-CA 3.46Å; E416-L421 HydrophobicContact CG-CD1 4.02Å; E416-L421 WeakPolarHBondContact OE1-CD1 3.26Å |
| 417 | S | 90.3 | Very high | 84.8 | Confident | 95 Ų | 95 | 59 Ų | 59 | 66% | 0.664 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32 | 178.5 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | F415 | F415-S417 PolarHBondContact O-N 2.82Å; F415-S417 VanDerWaalsContact O-N 3.15Å |
| 418 | E | 92.6 | Very high | 84.9 | Confident | 55 Ų | 55 | 56 Ų | 56 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -18.9 | 177.7 | -70.1 | -60.3 | 148.7 | 0 | 0 | 113.5 | F415 E416 F453 K458 V460 I472 A475 | F415-E418 PolarHBondContact O-N 3.18Å; F415-E418 VanDerWaalsContact O-N 3.08Å; E416-E418 PolarHBondContact O-N 3.01Å; E418-F453 WeakPolarHBondContact O-CZ 3.35Å; E418-K458 PolarHBondContact O-NZ 3.03Å; E418-K458 IonicContact OE2-NZ 2.88Å; E418-K458 PolarHBondContact OE2-NZ 2.89Å; E418-V460 HydrophobicContact CB-CG1 4.35Å; E418-V460 HydrophobicContact CG-CG1 4.39Å; E418-I472 HydrophobicContact CB-CD1 3.92Å; E418-I472 HydrophobicContact CG-CD1 3.5Å; E418-I472 VanDerWaalsContact CG-CD1 3.5Å; E418-I472 HydrophobicContact CG-CG2 3.99Å; E418-A475 HydrophobicContact CG-CB 4.22Å; E418-A475 WeakPolarHBondContact OE2-CB 3.47Å |
| 419 | F | 90.3 | Very high | 85 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -130 | 75.4 | -177.8 | -60.4 | -92 | 0 | 0 | 0 | 110.4 | F415 E416 A428 L430 A450 F453 K458 V460 | F415-F419 HydrophobicContact CB-CD2 3.91Å; F415-F419 WeakPolarHBondContact O-CD2 3.46Å; F415-F419 PolarHBondContact O-N 2.78Å; E416-F419 CarbonylContact O-C 3.17Å; E416-F419 VanDerWaalsContact O-C 3.31Å; E416-F419 PolarHBondContact O-N 2.93Å; F419-A428 HydrophobicContact CD1-CB 3.91Å; F419-A428 HydrophobicContact CE1-CB 3.94Å; F419-L430 HydrophobicContact CD2-CD2 4.44Å; F419-L430 HydrophobicContact CE2-CD1 4.24Å; F419-L430 HydrophobicContact CE2-CD2 3.99Å; F419-L430 HydrophobicContact CZ-CB 4.44Å; F419-L430 HydrophobicContact CZ-CD1 3.91Å; F419-L430 HydrophobicContact CZ-CD2 4.24Å; F419-L430 HydrophobicContact CZ-CG 4.43Å; F419-A450 HydrophobicContact CE1-CB 3.72Å; F419-A450 HydrophobicContact CZ-CB 3.82Å; F419-F453 AromaticContact CD1-CD2 3.51Å; F419-F453 HydrophobicContact CD1-CD2 3.51Å; F419-F453 AromaticContact CD1-CE2 3.75Å; F419-F453 HydrophobicContact CD1-CE2 3.75Å; F419-F453 HydrophobicContact CD1-CG 4.41Å; F419-F453 HydrophobicContact CE1-CB 4.26Å; F419-F453 AromaticContact CE1-CD2 3.6Å; F419-F453 HydrophobicContact CE1-CD2 3.6Å; F419-F453 HydrophobicContact CE1-CE2 4.17Å; F419-F453 HydrophobicContact CE1-CG 4.06Å; F419-F453 HydrophobicContact CG-CE2 4.48Å; F419-K458 HydrophobicContact CE1-CD 4.38Å; F419-K458 HydrophobicContact CE2-CD 4.39Å; F419-K458 HydrophobicContact CZ-CD 3.94Å; F419-V460 HydrophobicContact CE2-CG1 3.83Å; F419-V460 HydrophobicContact CE2-CG2 4.39Å; F419-V460 HydrophobicContact CZ-CG1 4.19Å |
| 420 | P | 86.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 54 Ų | 54 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | trans | -75.3 | 152.9 | -170.2 | 35 | -40 | 0 | 0 | 0 | 112 | E416 E422 L423 | E416-P420 WeakPolarHBondContact O-CA 3.46Å; P420-E422 WeakPolarHBondContact CB-OE2 3.2Å; P420-E422 PolarHBondContact O-N 3.24Å; P420-E422 VanDerWaalsContact O-N 3.15Å; P420-L423 HydrophobicContact CG-CD1 3.89Å; P420-L423 HydrophobicContact CG-CG 4.21Å; P420-L423 PolarHBondContact O-N 2.89Å | ||
| 421 | L | 78.5 | Confident | 85.5 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -58.7 | -29 | -173.5 | -87.3 | 106.7 | 0 | 0 | 0 | 114.2 | E416 L423 K424 | E416-L421 HydrophobicContact CG-CD1 4.02Å; E416-L421 WeakPolarHBondContact OE1-CD1 3.26Å; L421-L423 PolarHBondContact O-N 3.15Å; L421-K424 VanDerWaalsContact O-CB 3.31Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.81Å; L421-K424 VanDerWaalsContact O-N 3.11Å |
| 422 | E | 77.3 | Confident | 85.9 | Confident | 164 Ų | 164 | 53.8 Ų | 53.8 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.3 | -16.1 | 178.1 | -54.6 | 82.7 | -179.3 | 0 | 0 | 112.5 | P420 | P420-E422 WeakPolarHBondContact CB-OE2 3.2Å; P420-E422 PolarHBondContact O-N 3.24Å; P420-E422 VanDerWaalsContact O-N 3.15Å |
| 423 | L | 74.1 | Confident | 86.4 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -108.6 | 8 | -179.7 | -59.1 | 178.1 | 0 | 0 | 0 | 113.6 | P420 L421 N425 H426 F453 K454 | P420-L423 HydrophobicContact CG-CD1 3.89Å; P420-L423 HydrophobicContact CG-CG 4.21Å; P420-L423 PolarHBondContact O-N 2.89Å; L421-L423 PolarHBondContact O-N 3.15Å; L423-N425 PolarHBondContact O-N 2.86Å; L423-N425 VanDerWaalsContact O-N 3.1Å; L423-H426 WeakPolarHBondContact O-CB 3.46Å; L423-H426 PolarHBondContact O-CD2 2.86Å; L423-H426 PolarHBondContact O-N 2.83Å; L423-F453 HydrophobicContact CD1-CE2 4.23Å; L423-F453 HydrophobicContact CD1-CZ 4.25Å; L423-K454 HydrophobicContact CD1-CD 4.32Å; L423-K454 HydrophobicContact CD1-CG 4.15Å |
| 424 | K | 66.4 | Low | 86.8 | Confident | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -50.6 | -36.8 | -178.9 | -179.1 | 174.8 | -178 | -171.3 | 0 | 113.7 | D394 D396 R412 L421 H426 | D394-K424 WeakPolarHBondContact OD2-CE 3.45Å; D394-K424 IonicContact OD2-NZ 3.55Å; D394-K424 PolarHBondContact OD2-NZ 3.45Å; D396-K424 WeakPolarHBondContact OD1-CA 3.3Å; D396-K424 VanDerWaalsContact OD1-O 3.08Å; D396-K424 WeakPolarHBondContact OD2-CG 3.09Å; R412-K424 VanDerWaalsContact NH1-CD 3.27Å; L421-K424 VanDerWaalsContact O-CB 3.31Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.81Å; L421-K424 VanDerWaalsContact O-N 3.11Å; K424-H426 PolarHBondContact O-N 3.48Å; K424-H426 VanDerWaalsContact O-N 3.17Å |
| 425 | N | 63.7 | Low | 87.1 | Confident | 157 Ų | 157 | 47.8 Ų | 47.8 | 84% | 0.84 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -77.3 | 1.7 | -178.5 | -64.1 | -21.5 | 0 | 0 | 0 | 114 | L423 A427 | L423-N425 PolarHBondContact O-N 2.86Å; L423-N425 VanDerWaalsContact O-N 3.1Å; N425-A427 VanDerWaalsContact C-N 3.31Å |
| 426 | H | 69.6 | Low | 87.2 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 27% | 0.269 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -80.7 | -11.9 | -179.4 | -75.3 | -125.4 | 0 | 0 | 0 | 113.3 | L423 K424 H455 | L423-H426 WeakPolarHBondContact O-CB 3.46Å; L423-H426 PolarHBondContact O-CD2 2.86Å; L423-H426 PolarHBondContact O-N 2.83Å; K424-H426 PolarHBondContact O-N 3.48Å; K424-H426 VanDerWaalsContact O-N 3.17Å; H426-H455 AromaticContact ND1-CE1 3.96Å |
| 427 | A | 84.9 | Confident | 87.5 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | trans | 50.5 | 67.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | W395 N425 Y429 R452 | W395-A427 HydrophobicContact CB-CB 3.65Å; W395-A427 CarbonylContact O-C 3.56Å; W395-A427 WeakPolarHBondContact O-CA 3.31Å; N425-A427 VanDerWaalsContact C-N 3.31Å; A427-Y429 HydrophobicContact CB-CD1 4.21Å; A427-Y429 HydrophobicContact CB-CE1 3.87Å; A427-Y429 VanDerWaalsContact O-CD1 3.24Å; A427-Y429 WeakPolarHBondContact O-CD1 3.24Å; A427-Y429 PolarHBondContact O-N 2.73Å; A427-R452 WeakPolarHBondContact O-CB 3.08Å | ||
| 428 | A | 91.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | trans | -63.8 | -23.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | W395 F419 A450 R452 F453 | W395-A428 PolarHBondContact O-N 2.79Å; F419-A428 HydrophobicContact CD1-CB 3.91Å; F419-A428 HydrophobicContact CE1-CB 3.94Å; A428-A450 CarbonylContact O-C 3.59Å; A428-A450 VanDerWaalsContact O-C 3.26Å; A428-A450 WeakPolarHBondContact O-CA 3.4Å; A428-A450 WeakPolarHBondContact O-CB 3.32Å; A428-R452 PolarHBondContact O-N 2.78Å; A428-F453 HydrophobicContact CB-CB 4.11Å; A428-F453 HydrophobicContact CB-CD2 4.03Å; A428-F453 PolarHBondContact O-N 2.99Å | ||
| 429 | Y | 96 | Very high | 87.8 | Confident | 48 Ų | 48 | 38.2 Ų | 38.2 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | trans | 60.8 | 40.5 | -179.4 | -70.1 | 8.5 | 0 | 0 | 0 | 112.7 | V390 W395 D396 A427 G431 Y432 R452 | V390-Y429 HydrophobicContact CG1-CD1 3.9Å; V390-Y429 HydrophobicContact CG1-CD2 3.98Å; V390-Y429 HydrophobicContact CG1-CG 3.56Å; W395-Y429 HydrophobicContact CB-CD1 3.94Å; W395-Y429 HydrophobicContact CB-CE1 3.72Å; W395-Y429 AromaticContact CD1-CE1 3.7Å; W395-Y429 AromaticContact CG-CE1 3.97Å; W395-Y429 HydrophobicContact CG-CE1 3.97Å; W395-Y429 PolarHBondContact O-N 2.94Å; D396-Y429 PolarHBondContact O-N 3.11Å; A427-Y429 HydrophobicContact CB-CD1 4.21Å; A427-Y429 HydrophobicContact CB-CE1 3.87Å; A427-Y429 VanDerWaalsContact O-CD1 3.24Å; A427-Y429 WeakPolarHBondContact O-CD1 3.24Å; A427-Y429 PolarHBondContact O-N 2.73Å; Y429-G431 PolarHBondContact O-N 2.87Å; Y429-Y432 HydrophobicContact CD2-CD2 4.06Å; Y429-Y432 HydrophobicContact CD2-CE2 4.48Å; Y429-Y432 WeakPolarHBondContact O-CB 3.44Å; Y429-Y432 PolarHBondContact O-N 2.64Å; Y429-R452 HydrophobicContact CD2-CB 4.48Å; Y429-R452 HydrophobicContact CD2-CG 3.77Å; Y429-R452 HydrophobicContact CE2-CG 4.14Å; Y429-R452 HydrophobicContact CG-CB 4.3Å; Y429-R452 HydrophobicContact CG-CG 4.08Å; Y429-R452 PolarHBondContact OH-NH1 3.26Å; Y429-R452 VanDerWaalsContact OH-NH1 3.12Å | ||
| 430 | L | 97.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -58.7 | 135.8 | 173.3 | 179.6 | 64.8 | 0 | 0 | 0 | 110.4 | D396 G397 G398 F415 F419 A448 A450 V460 | D396-L430 VanDerWaalsContact O-CB 3.31Å; D396-L430 WeakPolarHBondContact O-CB 3.36Å; D396-L430 PolarHBondContact O-N 3.08Å; G397-L430 CarbonylContact C-O 3.53Å; G397-L430 VanDerWaalsContact CA-O 3.3Å; G397-L430 WeakPolarHBondContact CA-O 3.19Å; G398-L430 PolarHBondContact N-O 3.3Å; F415-L430 HydrophobicContact CB-CD2 4.35Å; F415-L430 HydrophobicContact CD1-CD2 3.83Å; F415-L430 HydrophobicContact CD2-CD2 4.01Å; F415-L430 HydrophobicContact CE1-CD2 4.08Å; F415-L430 HydrophobicContact CE2-CD2 4.24Å; F415-L430 HydrophobicContact CG-CD2 3.79Å; F415-L430 HydrophobicContact CZ-CD2 4.28Å; F419-L430 HydrophobicContact CD2-CD2 4.44Å; F419-L430 HydrophobicContact CE2-CD1 4.24Å; F419-L430 HydrophobicContact CE2-CD2 3.99Å; F419-L430 HydrophobicContact CZ-CB 4.44Å; F419-L430 HydrophobicContact CZ-CD1 3.91Å; F419-L430 HydrophobicContact CZ-CD2 4.24Å; F419-L430 HydrophobicContact CZ-CG 4.43Å; L430-A448 HydrophobicContact CD1-CB 3.62Å; L430-A448 HydrophobicContact CG-CB 4.44Å; L430-A450 HydrophobicContact CB-CB 4.11Å; L430-A450 HydrophobicContact CD1-CB 4.07Å; L430-V460 HydrophobicContact CD1-CG2 3.71Å |
| 431 | G | 96.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 11.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S377 G388 V390 G398 Y429 T433 G449 | S377-G431 PolarHBondContact OG-O 3.03Å; G388-G431 VanDerWaalsContact CA-O 3.26Å; G388-G431 WeakPolarHBondContact CA-O 3.06Å; V390-G431 WeakPolarHBondContact CG2-O 3.47Å; G398-G431 WeakPolarHBondContact O-CA 3.35Å; Y429-G431 PolarHBondContact O-N 2.87Å; G431-T433 PolarHBondContact O-N 2.75Å; G431-G449 PolarHBondContact N-O 2.83Å |
| 432 | Y | 98 | Very high | 87.6 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -56.3 | -36.5 | 169.5 | -169.2 | -85.3 | 0 | 0 | 0 | 110.7 | F376 S377 V390 Y429 G449 P451 Y484 | F376-Y432 HydrophobicContact CD1-CD2 4.13Å; F376-Y432 HydrophobicContact CD1-CE2 4.35Å; F376-Y432 HydrophobicContact CD1-CG 4.34Å; F376-Y432 WeakPolarHBondContact CD1-O 3.44Å; F376-Y432 HydrophobicContact CE1-CD1 4.04Å; F376-Y432 AromaticContact CE1-CD2 3.33Å; F376-Y432 HydrophobicContact CE1-CD2 3.33Å; F376-Y432 AromaticContact CE1-CE1 3.91Å; F376-Y432 HydrophobicContact CE1-CE1 3.91Å; F376-Y432 AromaticContact CE1-CE2 3.18Å; F376-Y432 HydrophobicContact CE1-CE2 3.18Å; F376-Y432 AromaticContact CE1-CG 3.76Å; F376-Y432 HydrophobicContact CE1-CG 3.76Å; F376-Y432 AromaticContact CE1-CZ 3.47Å; F376-Y432 VanDerWaalsContact CE1-CZ 3.47Å; F376-Y432 HydrophobicContact CE2-CE2 4.4Å; F376-Y432 AromaticContact CZ-CD2 3.73Å; F376-Y432 HydrophobicContact CZ-CD2 3.73Å; F376-Y432 AromaticContact CZ-CE2 3.21Å; F376-Y432 HydrophobicContact CZ-CE2 3.21Å; F376-Y432 AromaticContact CZ-CZ 3.68Å; S377-Y432 VanDerWaalsContact CB-O 3.29Å; S377-Y432 WeakPolarHBondContact CB-O 3.5Å; S377-Y432 PolarHBondContact OG-O 3.31Å; V390-Y432 HydrophobicContact CG1-CD2 4.42Å; Y429-Y432 HydrophobicContact CD2-CD2 4.06Å; Y429-Y432 HydrophobicContact CD2-CE2 4.48Å; Y429-Y432 WeakPolarHBondContact O-CB 3.44Å; Y429-Y432 PolarHBondContact O-N 2.64Å; Y432-G449 PolarHBondContact N-O 3.08Å; Y432-P451 VanDerWaalsContact CB-CD 3.44Å; Y432-P451 HydrophobicContact CD1-CG 3.91Å; Y432-P451 HydrophobicContact CD2-CG 4.07Å; Y432-P451 HydrophobicContact CG-CG 3.6Å; Y432-Y484 HydrophobicContact CD1-CE1 4.46Å; Y432-Y484 AromaticContact CE1-CE1 3.85Å; Y432-Y484 HydrophobicContact CE1-CE1 3.85Å; Y432-Y484 HydrophobicContact CE2-CE1 4.11Å; Y432-Y484 AromaticContact CE2-CZ 3.98Å; Y432-Y484 WeakPolarHBondContact CE2-OH 3.26Å; Y432-Y484 AromaticContact CZ-CE1 3.66Å |
| 433 | T | 98 | Very high | 88.2 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.3 | 163.1 | 53 | 0 | 0 | 0 | 0 | 110.2 | S377 G431 A448 G449 G486 S487 L489 | S377-T433 WeakPolarHBondContact OG-CA 2.93Å; G431-T433 PolarHBondContact O-N 2.75Å; T433-A448 WeakPolarHBondContact O-CA 3.32Å; T433-G449 PolarHBondContact O-N 2.82Å; T433-G486 PolarHBondContact OG1-O 2.83Å; T433-S487 WeakPolarHBondContact CG2-O 3.41Å; T433-L489 WeakPolarHBondContact OG1-CD1 3.02Å; T433-L489 WeakPolarHBondContact OG1-CG 3.32Å |
| 434 | V | 97.7 | Very high | 89.1 | Confident | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.3 | 173 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | S377 H379 L386 V399 V447 | S377-V434 PolarHBondContact OG-N 3.03Å; H379-V434 HydrophobicContact CB-CG2 3.98Å; L386-V434 HydrophobicContact CD2-CB 3.86Å; L386-V434 HydrophobicContact CD2-CG1 4.36Å; L386-V434 HydrophobicContact CD2-CG2 4.45Å; L386-V434 HydrophobicContact CG-CB 4.17Å; L386-V434 HydrophobicContact CG-CG1 4.44Å; L386-V434 HydrophobicContact CG-CG2 4.35Å; V399-V434 HydrophobicContact CG1-CG1 3.86Å; V434-V447 CarbonylContact C-O 3.44Å; V434-V447 VanDerWaalsContact CA-O 3.3Å; V434-V447 WeakPolarHBondContact CA-O 3.49Å |
| 435 | S | 96.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -177.2 | 174.6 | -163 | 0 | 0 | 0 | 0 | 109.8 | V447 | S435-V447 PolarHBondContact N-O 2.95Å; S435-V447 PolarHBondContact O-N 3.32Å |
| 436 | S | 95.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149 | 170.9 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | H379 L445 | H379-S436 PolarHBondContact NE2-N 3.36Å; H379-S436 PolarHBondContact NE2-OG 3.45Å; S436-L445 CarbonylContact C-O 3.5Å; S436-L445 VanDerWaalsContact CA-O 3.31Å; S436-L445 WeakPolarHBondContact CA-O 3.43Å |
| 437 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.3 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | R444 L445 V447 L461 T500 L503 F532 | V437-R444 WeakPolarHBondContact O-CA 3.22Å; V437-L445 HydrophobicContact CG2-CB 3.86Å; V437-L445 PolarHBondContact N-O 3.45Å; V437-L445 PolarHBondContact O-N 3.2Å; V437-V447 HydrophobicContact CB-CG2 4.48Å; V437-V447 HydrophobicContact CG1-CG2 3.91Å; V437-V447 HydrophobicContact CG2-CG2 3.92Å; V437-L461 HydrophobicContact CG2-CD2 4.18Å; V437-T500 WeakPolarHBondContact CA-OG1 3.39Å; V437-T500 HydrophobicContact CB-CG2 3.95Å; V437-T500 HydrophobicContact CG1-CG2 3.79Å; V437-L503 HydrophobicContact CG1-CD1 4.27Å; V437-F532 HydrophobicContact CB-CE2 4.25Å; V437-F532 HydrophobicContact CB-CZ 4.13Å; V437-F532 HydrophobicContact CG1-CZ 4.33Å; V437-F532 HydrophobicContact CG2-CE2 3.71Å; V437-F532 HydrophobicContact CG2-CZ 4.11Å |
| 438 | V | 95.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 33 Ų | 33 | 14% | 0.139 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.2 | 173 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | R443 T500 | V438-R443 WeakPolarHBondContact CA-O 3.21Å; V438-T500 PolarHBondContact N-OG1 3.01Å; V438-T500 WeakPolarHBondContact O-CB 3.46Å; V438-T500 PolarHBondContact O-N 2.9Å; V438-T500 PolarHBondContact O-OG1 3.49Å |
| 439 | I | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -110.2 | 168.2 | 178.8 | 53.8 | 160.8 | 0 | 0 | 0 | 110.5 | D441 W442 R443 L445 L526 F532 | I439-D441 WeakPolarHBondContact CD1-OD1 2.97Å; I439-D441 WeakPolarHBondContact CG1-OD1 3.1Å; I439-D441 PolarHBondContact O-N 3.4Å; I439-W442 WeakPolarHBondContact O-CA 3.43Å; I439-W442 PolarHBondContact O-N 3.31Å; I439-R443 HydrophobicContact CD1-CB 4.29Å; I439-R443 VanDerWaalsContact CD1-NH2 3.28Å; I439-R443 HydrophobicContact CG1-CB 4.05Å; I439-R443 WeakPolarHBondContact CG1-O 3.4Å; I439-R443 PolarHBondContact N-O 3.38Å; I439-L445 HydrophobicContact CD1-CD1 4.02Å; I439-L445 HydrophobicContact CD1-CG 4.27Å; I439-L445 HydrophobicContact CG1-CD1 4.44Å; I439-L445 HydrophobicContact CG1-CG 4.38Å; I439-L445 HydrophobicContact CG2-CD1 4.17Å; I439-L526 HydrophobicContact CB-CD1 4.33Å; I439-L526 HydrophobicContact CB-CD2 4.26Å; I439-L526 HydrophobicContact CG2-CD1 3.66Å; I439-L526 HydrophobicContact CG2-CD2 4.19Å; I439-F532 HydrophobicContact CG2-CE2 4.05Å | ||
| 440 | G | 79.7 | Confident | 94.5 | Very high | 50 Ų | 50 | 30.6 Ų | 30.6 | 52% | 0.515 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -8.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 441 | D | 82.8 | Confident | 94.6 | Very high | 85 Ų | 85 | 30.6 Ų | 30.6 | 46% | 0.455 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 18.7 | 169.8 | 54.5 | 7.5 | 0 | 0 | 0 | 113 | I439 R443 | I439-D441 WeakPolarHBondContact CD1-OD1 2.97Å; I439-D441 WeakPolarHBondContact CG1-OD1 3.1Å; I439-D441 PolarHBondContact O-N 3.4Å; D441-R443 HydrophobicContact CB-CG 4.47Å; D441-R443 PolarHBondContact O-N 3.17Å; D441-R443 VanDerWaalsContact O-N 3.14Å; D441-R443 VanDerWaalsContact OD1-CB 3.26Å; D441-R443 WeakPolarHBondContact OD1-CB 3.36Å; D441-R443 VanDerWaalsContact OD1-CG 3.25Å; D441-R443 WeakPolarHBondContact OD1-CG 3.08Å; D441-R443 PolarHBondContact OD1-N 2.82Å; D441-R443 IonicContact OD1-NE 2.59Å; D441-R443 PolarHBondContact OD1-NE 2.86Å; D441-R443 WeakPolarHBondContact OD2-CD 3.37Å; D441-R443 IonicContact OD2-CZ 2.77Å; D441-R443 VanDerWaalsContact OD2-CZ 3.24Å; D441-R443 IonicContact OD2-NE 3.71Å; D441-R443 PolarHBondContact OD2-NE 3.44Å; D441-R443 IonicContact OD2-NH2 3.59Å; D441-R443 PolarHBondContact OD2-NH2 2.85Å |
| 442 | W | 87.8 | Confident | 94.5 | Very high | 177 Ų | 177 | 34.8 Ų | 34.8 | 67% | 0.67 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 60 | 14.9 | -175.9 | -57.3 | 88.5 | 0 | 0 | 0 | 113.9 | I439 D497 | I439-W442 WeakPolarHBondContact O-CA 3.43Å; I439-W442 PolarHBondContact O-N 3.31Å; W442-D497 WeakPolarHBondContact CH2-O 3.25Å |
| 443 | R | 91.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 32.5 Ų | 32.5 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | P | Polyproline II helix | trans | -76.4 | 136.2 | 173.1 | -64.9 | -172.5 | -54.8 | 162.1 | -8.9 | 109.7 | V438 I439 D441 E463 | V438-R443 WeakPolarHBondContact CA-O 3.21Å; I439-R443 HydrophobicContact CD1-CB 4.29Å; I439-R443 VanDerWaalsContact CD1-NH2 3.28Å; I439-R443 HydrophobicContact CG1-CB 4.05Å; I439-R443 WeakPolarHBondContact CG1-O 3.4Å; I439-R443 PolarHBondContact N-O 3.38Å; D441-R443 HydrophobicContact CB-CG 4.47Å; D441-R443 PolarHBondContact O-N 3.17Å; D441-R443 VanDerWaalsContact O-N 3.14Å; D441-R443 VanDerWaalsContact OD1-CB 3.26Å; D441-R443 WeakPolarHBondContact OD1-CB 3.36Å; D441-R443 VanDerWaalsContact OD1-CG 3.25Å; D441-R443 WeakPolarHBondContact OD1-CG 3.08Å; D441-R443 PolarHBondContact OD1-N 2.82Å; D441-R443 IonicContact OD1-NE 2.59Å; D441-R443 PolarHBondContact OD1-NE 2.86Å; D441-R443 WeakPolarHBondContact OD2-CD 3.37Å; D441-R443 IonicContact OD2-CZ 2.77Å; D441-R443 VanDerWaalsContact OD2-CZ 3.24Å; D441-R443 IonicContact OD2-NE 3.71Å; D441-R443 PolarHBondContact OD2-NE 3.44Å; D441-R443 IonicContact OD2-NH2 3.59Å; D441-R443 PolarHBondContact OD2-NH2 2.85Å; R443-E463 IonicContact CZ-OE1 2.96Å; R443-E463 IonicContact NE-OE1 3.08Å; R443-E463 IonicContact NH1-OE1 3.8Å; R443-E463 PolarHBondContact NH1-OE1 2.8Å |
| 444 | R | 92.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 37.3 Ų | 37.3 | 29% | 0.287 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.4 | 173 | 178.9 | 170.2 | -69.1 | 156.5 | 2.6 | 109.1 | D382 V437 Y446 | D382-R444 IonicContact OD2-CZ 2.75Å; D382-R444 VanDerWaalsContact OD2-CZ 3.31Å; D382-R444 IonicContact OD2-NH1 2.61Å; D382-R444 PolarHBondContact OD2-NH1 3.45Å; D382-R444 IonicContact OD2-NH2 2.81Å; D382-R444 PolarHBondContact OD2-NH2 3.4Å; V437-R444 WeakPolarHBondContact O-CA 3.22Å; R444-Y446 HydrophobicContact CG-CE1 4.4Å |
| 445 | L | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.6 | 168.3 | -54.2 | -177.1 | 0 | 0 | 0 | 108.7 | S436 V437 I439 L461 E463 V473 | S436-L445 CarbonylContact C-O 3.5Å; S436-L445 VanDerWaalsContact CA-O 3.31Å; S436-L445 WeakPolarHBondContact CA-O 3.43Å; V437-L445 HydrophobicContact CG2-CB 3.86Å; V437-L445 PolarHBondContact N-O 3.45Å; V437-L445 PolarHBondContact O-N 3.2Å; I439-L445 HydrophobicContact CD1-CD1 4.02Å; I439-L445 HydrophobicContact CD1-CG 4.27Å; I439-L445 HydrophobicContact CG1-CD1 4.44Å; I439-L445 HydrophobicContact CG1-CG 4.38Å; I439-L445 HydrophobicContact CG2-CD1 4.17Å; L445-L461 HydrophobicContact CD1-CB 4.47Å; L445-L461 HydrophobicContact CD1-CD2 4.43Å; L445-E463 HydrophobicContact CD2-CG 3.54Å; L445-V473 HydrophobicContact CD1-CB 4.25Å; L445-V473 HydrophobicContact CD1-CG1 4.04Å; L445-V473 HydrophobicContact CD1-CG2 4.46Å; L445-V473 HydrophobicContact CD2-CB 4.44Å; L445-V473 HydrophobicContact CD2-CG2 3.78Å |
| 446 | Y | 97.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 142.6 | 168.7 | -59 | -67 | 0 | 0 | 0 | 109.1 | L381 L386 K401 R444 L461 F462 L464 | L381-Y446 HydrophobicContact CD1-CE1 3.58Å; L381-Y446 HydrophobicContact CD2-CD1 4.37Å; L381-Y446 HydrophobicContact CD2-CE1 3.75Å; L381-Y446 HydrophobicContact CG-CE1 4.32Å; L386-Y446 HydrophobicContact CD2-CD1 3.77Å; L386-Y446 HydrophobicContact CD2-CG 4.25Å; K401-Y446 PolarHBondContact NZ-OH 3.17Å; R444-Y446 HydrophobicContact CG-CE1 4.4Å; Y446-L461 CarbonylContact O-C 3.57Å; Y446-L461 VanDerWaalsContact O-CA 3.28Å; Y446-L461 WeakPolarHBondContact O-CA 3.42Å; Y446-F462 HydrophobicContact CD2-CE2 4.28Å; Y446-F462 HydrophobicContact CG-CE2 4.33Å; Y446-F462 PolarHBondContact N-O 2.87Å; Y446-F462 WeakPolarHBondContact O-CD1 3.4Å; Y446-F462 PolarHBondContact O-N 3.11Å; Y446-L464 HydrophobicContact CD2-CB 3.64Å; Y446-L464 HydrophobicContact CE2-CB 3.64Å |
| 447 | V | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.3 | -178.5 | -166.9 | 0 | 0 | 0 | 0 | 108.4 | V434 S435 V437 V459 V460 L461 L489 L503 | V434-V447 CarbonylContact C-O 3.44Å; V434-V447 VanDerWaalsContact CA-O 3.3Å; V434-V447 WeakPolarHBondContact CA-O 3.49Å; S435-V447 PolarHBondContact N-O 2.95Å; S435-V447 PolarHBondContact O-N 3.32Å; V437-V447 HydrophobicContact CB-CG2 4.48Å; V437-V447 HydrophobicContact CG1-CG2 3.91Å; V437-V447 HydrophobicContact CG2-CG2 3.92Å; V447-V459 HydrophobicContact CG1-CG1 3.4Å; V447-V460 WeakPolarHBondContact CA-O 3.18Å; V447-L461 HydrophobicContact CG1-CD1 4.44Å; V447-L461 HydrophobicContact CG1-CG 4.19Å; V447-L461 HydrophobicContact CG2-CD2 4.35Å; V447-L461 HydrophobicContact CG2-CG 4.04Å; V447-L489 HydrophobicContact CB-CD1 4.37Å; V447-L489 HydrophobicContact CG1-CD1 3.74Å; V447-L503 HydrophobicContact CG1-CD2 4.37Å |
| 448 | A | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V399 L430 T433 V459 V460 F462 | V399-A448 HydrophobicContact CG1-CB 3.81Å; L430-A448 HydrophobicContact CD1-CB 3.62Å; L430-A448 HydrophobicContact CG-CB 4.44Å; T433-A448 WeakPolarHBondContact O-CA 3.32Å; A448-V459 WeakPolarHBondContact O-CA 3.12Å; A448-V460 HydrophobicContact CB-CG2 4.18Å; A448-V460 PolarHBondContact N-O 2.93Å; A448-V460 PolarHBondContact O-N 2.59Å; A448-F462 HydrophobicContact CB-CE1 3.85Å; A448-F462 HydrophobicContact CB-CZ 4.48Å |
| 449 | G | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G431 Y432 T433 G486 | G431-G449 PolarHBondContact N-O 2.83Å; Y432-G449 PolarHBondContact N-O 3.08Å; T433-G449 PolarHBondContact O-N 2.82Å; G449-G486 WeakPolarHBondContact CA-O 3.35Å |
| 450 | A | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 73.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | F419 A428 L430 R452 F453 G457 K458 | F419-A450 HydrophobicContact CE1-CB 3.72Å; F419-A450 HydrophobicContact CZ-CB 3.82Å; A428-A450 CarbonylContact O-C 3.59Å; A428-A450 VanDerWaalsContact O-C 3.26Å; A428-A450 WeakPolarHBondContact O-CA 3.4Å; A428-A450 WeakPolarHBondContact O-CB 3.32Å; L430-A450 HydrophobicContact CB-CB 4.11Å; L430-A450 HydrophobicContact CD1-CB 4.07Å; A450-R452 PolarHBondContact O-N 3.39Å; A450-R452 VanDerWaalsContact O-N 3.11Å; A450-F453 HydrophobicContact CB-CB 4.22Å; A450-F453 WeakPolarHBondContact O-CB 3.31Å; A450-F453 PolarHBondContact O-N 3.23Å; A450-F453 VanDerWaalsContact O-N 3.13Å; A450-G457 WeakPolarHBondContact O-CA 3.18Å; A450-K458 PolarHBondContact N-O 3.41Å; A450-K458 PolarHBondContact O-N 3.15Å |
| 451 | P | 97.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.3 | -166.8 | 26.5 | -35.3 | 0 | 0 | 0 | 114.8 | Y432 G457 Y484 Y485 | Y432-P451 VanDerWaalsContact CB-CD 3.44Å; Y432-P451 HydrophobicContact CD1-CG 3.91Å; Y432-P451 HydrophobicContact CD2-CG 4.07Å; Y432-P451 HydrophobicContact CG-CG 3.6Å; P451-G457 WeakPolarHBondContact O-CA 3.31Å; P451-G457 PolarHBondContact O-N 2.87Å; P451-Y484 HydrophobicContact CB-CD1 3.95Å; P451-Y484 HydrophobicContact CB-CD2 3.89Å; P451-Y484 HydrophobicContact CB-CE1 4.04Å; P451-Y484 HydrophobicContact CB-CE2 4.02Å; P451-Y484 HydrophobicContact CB-CG 3.83Å; P451-Y484 HydrophobicContact CG-CD1 4.38Å; P451-Y484 HydrophobicContact CG-CE1 3.97Å; P451-Y484 HydrophobicContact CG-CE2 4.15Å; P451-Y485 VanDerWaalsContact CA-O 3.31Å; P451-Y485 WeakPolarHBondContact CA-O 3.31Å |
| 452 | R | 95.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 36.9 Ų | 36.9 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -5.4 | 177.6 | -70.7 | -166.7 | 69.3 | 155.1 | 2.1 | 114.1 | A427 A428 Y429 A450 K454 H455 Y484 | A427-R452 WeakPolarHBondContact O-CB 3.08Å; A428-R452 PolarHBondContact O-N 2.78Å; Y429-R452 HydrophobicContact CD2-CB 4.48Å; Y429-R452 HydrophobicContact CD2-CG 3.77Å; Y429-R452 HydrophobicContact CE2-CG 4.14Å; Y429-R452 HydrophobicContact CG-CB 4.3Å; Y429-R452 HydrophobicContact CG-CG 4.08Å; Y429-R452 PolarHBondContact OH-NH1 3.26Å; Y429-R452 VanDerWaalsContact OH-NH1 3.12Å; A450-R452 PolarHBondContact O-N 3.39Å; A450-R452 VanDerWaalsContact O-N 3.11Å; R452-K454 PolarHBondContact O-N 2.69Å; R452-K454 VanDerWaalsContact O-N 3.17Å; R452-H455 WeakPolarHBondContact O-CA 3.23Å; R452-H455 PolarHBondContact O-N 3.49Å; R452-Y484 HydrophobicContact CG-CE2 3.84Å |
| 453 | F | 94.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 4% | 0.044 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -55 | 123.6 | 179.5 | -178.7 | -103.1 | 0 | 0 | 0 | 111.7 | E418 F419 L423 A428 A450 H455 K456 G457 K458 | E418-F453 WeakPolarHBondContact O-CZ 3.35Å; F419-F453 AromaticContact CD1-CD2 3.51Å; F419-F453 HydrophobicContact CD1-CD2 3.51Å; F419-F453 AromaticContact CD1-CE2 3.75Å; F419-F453 HydrophobicContact CD1-CE2 3.75Å; F419-F453 HydrophobicContact CD1-CG 4.41Å; F419-F453 HydrophobicContact CE1-CB 4.26Å; F419-F453 AromaticContact CE1-CD2 3.6Å; F419-F453 HydrophobicContact CE1-CD2 3.6Å; F419-F453 HydrophobicContact CE1-CE2 4.17Å; F419-F453 HydrophobicContact CE1-CG 4.06Å; F419-F453 HydrophobicContact CG-CE2 4.48Å; L423-F453 HydrophobicContact CD1-CE2 4.23Å; L423-F453 HydrophobicContact CD1-CZ 4.25Å; A428-F453 HydrophobicContact CB-CB 4.11Å; A428-F453 HydrophobicContact CB-CD2 4.03Å; A428-F453 PolarHBondContact O-N 2.99Å; A450-F453 HydrophobicContact CB-CB 4.22Å; A450-F453 WeakPolarHBondContact O-CB 3.31Å; A450-F453 PolarHBondContact O-N 3.23Å; A450-F453 VanDerWaalsContact O-N 3.13Å; F453-H455 PolarHBondContact O-N 2.89Å; F453-K456 PolarHBondContact O-N 3.48Å; F453-G457 PolarHBondContact O-N 3.02Å; F453-K458 HydrophobicContact CB-CB 3.95Å; F453-K458 HydrophobicContact CD1-CB 3.69Å; F453-K458 HydrophobicContact CD1-CD 4.06Å; F453-K458 HydrophobicContact CD1-CG 4.45Å; F453-K458 HydrophobicContact CE1-CD 4.11Å; F453-K458 VanDerWaalsContact CE1-CE 3.43Å; F453-K458 HydrophobicContact CG-CB 4.03Å; F453-K458 HydrophobicContact CG-CD 4.49Å |
| 454 | K | 89.4 | Confident | 95.7 | Very high | 111 Ų | 111 | 26.8 Ų | 26.8 | 48% | 0.483 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | 48.1 | 26.2 | -173.4 | -67.8 | -175.1 | 176.1 | 179.4 | 0 | 113.9 | L423 R452 K456 | L423-K454 HydrophobicContact CD1-CD 4.32Å; L423-K454 HydrophobicContact CD1-CG 4.15Å; R452-K454 PolarHBondContact O-N 2.69Å; R452-K454 VanDerWaalsContact O-N 3.17Å; K454-K456 PolarHBondContact O-N 3.27Å |
| 455 | H | 89.1 | Confident | 95.6 | Very high | 89 Ų | 89 | 26.6 Ų | 26.6 | 41% | 0.412 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | 57.6 | 8.9 | -172.1 | -51.3 | 88.2 | 0 | 0 | 0 | 114.7 | H426 R452 F453 I481 G482 | H426-H455 AromaticContact ND1-CE1 3.96Å; R452-H455 WeakPolarHBondContact O-CA 3.23Å; R452-H455 PolarHBondContact O-N 3.49Å; F453-H455 PolarHBondContact O-N 2.89Å; H455-I481 HydrophobicContact CB-CD1 3.95Å; H455-I481 HydrophobicContact CB-CG1 3.63Å; H455-I481 CarbonylContact O-C 3.57Å; H455-I481 VanDerWaalsContact O-CA 3.31Å; H455-I481 WeakPolarHBondContact O-CA 3.07Å; H455-I481 WeakPolarHBondContact O-CG1 3.37Å; H455-G482 PolarHBondContact O-N 3.49Å |
| 456 | K | 92.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 33.6 Ų | 33.6 | 40% | 0.404 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -30.7 | 178.6 | -66.9 | -172.3 | 178 | -167.1 | 0 | 112.5 | F453 K454 I481 S483 Y485 | F453-K456 PolarHBondContact O-N 3.48Å; K454-K456 PolarHBondContact O-N 3.27Å; K456-I481 HydrophobicContact CG-CB 4.38Å; K456-S483 PolarHBondContact O-OG 3.48Å; K456-Y485 WeakPolarHBondContact O-CB 3.38Å |
| 457 | G | 96.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | 97.3 | 150.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A450 P451 F453 G478 Y485 | A450-G457 WeakPolarHBondContact O-CA 3.18Å; P451-G457 WeakPolarHBondContact O-CA 3.31Å; P451-G457 PolarHBondContact O-N 2.87Å; F453-G457 PolarHBondContact O-N 3.02Å; G457-G478 PolarHBondContact O-N 3.05Å; G457-Y485 VanDerWaalsContact CA-O 3.28Å; G457-Y485 WeakPolarHBondContact CA-O 3.42Å |
| 458 | K | 97.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.7 | 176 | 176.4 | -179.9 | -86.7 | -171.3 | 0 | 109.1 | E418 F419 A450 F453 V460 A475 L476 N477 | E418-K458 PolarHBondContact O-NZ 3.03Å; E418-K458 IonicContact OE2-NZ 2.88Å; E418-K458 PolarHBondContact OE2-NZ 2.89Å; F419-K458 HydrophobicContact CE1-CD 4.38Å; F419-K458 HydrophobicContact CE2-CD 4.39Å; F419-K458 HydrophobicContact CZ-CD 3.94Å; A450-K458 PolarHBondContact N-O 3.41Å; A450-K458 PolarHBondContact O-N 3.15Å; F453-K458 HydrophobicContact CB-CB 3.95Å; F453-K458 HydrophobicContact CD1-CB 3.69Å; F453-K458 HydrophobicContact CD1-CD 4.06Å; F453-K458 HydrophobicContact CD1-CG 4.45Å; F453-K458 HydrophobicContact CE1-CD 4.11Å; F453-K458 VanDerWaalsContact CE1-CE 3.43Å; F453-K458 HydrophobicContact CG-CB 4.03Å; F453-K458 HydrophobicContact CG-CD 4.49Å; K458-V460 HydrophobicContact CD-CG1 3.98Å; K458-V460 HydrophobicContact CG-CG1 4.2Å; K458-A475 HydrophobicContact CD-CB 4.5Å; K458-L476 CarbonylContact C-O 3.53Å; K458-L476 VanDerWaalsContact CA-O 3.31Å; K458-L476 WeakPolarHBondContact CA-O 3.13Å; K458-L476 WeakPolarHBondContact CG-O 3.43Å; K458-N477 WeakPolarHBondContact CE-OD1 3.43Å |
| 459 | V | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.9 | 168 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | V447 A448 L461 A475 L476 Y485 L489 V505 | V447-V459 HydrophobicContact CG1-CG1 3.4Å; A448-V459 WeakPolarHBondContact O-CA 3.12Å; V459-L461 HydrophobicContact CG1-CD1 4.4Å; V459-A475 CarbonylContact O-C 3.46Å; V459-A475 WeakPolarHBondContact O-CA 3.36Å; V459-L476 HydrophobicContact CB-CB 4.27Å; V459-L476 PolarHBondContact N-O 3.49Å; V459-L476 PolarHBondContact O-N 2.84Å; V459-Y485 HydrophobicContact CB-CE1 4.44Å; V459-Y485 HydrophobicContact CG2-CD1 4.34Å; V459-Y485 HydrophobicContact CG2-CE1 3.82Å; V459-L489 HydrophobicContact CG1-CD1 4.31Å; V459-L489 HydrophobicContact CG1-CD2 3.97Å; V459-L489 HydrophobicContact CG2-CD2 3.8Å; V459-V505 HydrophobicContact CG2-CG1 3.62Å; V459-V505 HydrophobicContact CG2-CG2 4.36Å |
| 460 | V | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.1 | 177 | -67.8 | 0 | 0 | 0 | 0 | 110.5 | E418 F419 L430 V447 A448 K458 F462 A475 | E418-V460 HydrophobicContact CB-CG1 4.35Å; E418-V460 HydrophobicContact CG-CG1 4.39Å; F419-V460 HydrophobicContact CE2-CG1 3.83Å; F419-V460 HydrophobicContact CE2-CG2 4.39Å; F419-V460 HydrophobicContact CZ-CG1 4.19Å; L430-V460 HydrophobicContact CD1-CG2 3.71Å; V447-V460 WeakPolarHBondContact CA-O 3.18Å; A448-V460 HydrophobicContact CB-CG2 4.18Å; A448-V460 PolarHBondContact N-O 2.93Å; A448-V460 PolarHBondContact O-N 2.59Å; K458-V460 HydrophobicContact CD-CG1 3.98Å; K458-V460 HydrophobicContact CG-CG1 4.2Å; V460-F462 HydrophobicContact CG2-CD1 4.1Å; V460-F462 HydrophobicContact CG2-CE1 4.3Å; V460-A475 HydrophobicContact CG1-CB 4.16Å |
| 461 | L | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.5 | 173.9 | -66.1 | 82 | 0 | 0 | 0 | 107.9 | V437 L445 Y446 V447 V459 V473 Q474 L476 L503 F532 | V437-L461 HydrophobicContact CG2-CD2 4.18Å; L445-L461 HydrophobicContact CD1-CB 4.47Å; L445-L461 HydrophobicContact CD1-CD2 4.43Å; Y446-L461 CarbonylContact O-C 3.57Å; Y446-L461 VanDerWaalsContact O-CA 3.28Å; Y446-L461 WeakPolarHBondContact O-CA 3.42Å; V447-L461 HydrophobicContact CG1-CD1 4.44Å; V447-L461 HydrophobicContact CG1-CG 4.19Å; V447-L461 HydrophobicContact CG2-CD2 4.35Å; V447-L461 HydrophobicContact CG2-CG 4.04Å; V459-L461 HydrophobicContact CG1-CD1 4.4Å; L461-V473 PolarHBondContact O-N 2.81Å; L461-Q474 HydrophobicContact CB-CB 4.28Å; L461-Q474 HydrophobicContact CD1-CB 4.34Å; L461-Q474 PolarHBondContact N-O 2.98Å; L461-Q474 PolarHBondContact O-N 2.72Å; L461-Q474 VanDerWaalsContact O-N 3.15Å; L461-L476 HydrophobicContact CD1-CD1 4.13Å; L461-L476 HydrophobicContact CD1-CG 4.17Å; L461-L503 HydrophobicContact CD1-CD2 4.39Å; L461-L503 HydrophobicContact CD2-CD2 4.29Å; L461-F532 HydrophobicContact CD2-CD2 3.47Å; L461-F532 VanDerWaalsContact CD2-CD2 3.47Å; L461-F532 HydrophobicContact CD2-CE2 3.85Å; L461-F532 HydrophobicContact CD2-CG 4.47Å |
| 462 | F | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 156.3 | -171.1 | 61 | -84.9 | 0 | 0 | 0 | 113 | V399 F415 Y446 A448 V460 L464 V470 D471 I472 | V399-F462 HydrophobicContact CB-CZ 4.43Å; V399-F462 HydrophobicContact CG1-CZ 4.05Å; V399-F462 HydrophobicContact CG2-CE2 3.94Å; V399-F462 HydrophobicContact CG2-CZ 3.68Å; F415-F462 HydrophobicContact CE1-CD1 4.17Å; F415-F462 HydrophobicContact CE1-CD2 4.5Å; F415-F462 HydrophobicContact CE1-CE1 4.24Å; F415-F462 HydrophobicContact CE1-CG 4.32Å; F415-F462 HydrophobicContact CE1-CZ 4.42Å; F415-F462 HydrophobicContact CZ-CE1 4.48Å; F415-F462 HydrophobicContact CZ-CE2 4.25Å; F415-F462 HydrophobicContact CZ-CZ 4.24Å; Y446-F462 HydrophobicContact CD2-CE2 4.28Å; Y446-F462 HydrophobicContact CG-CE2 4.33Å; Y446-F462 PolarHBondContact N-O 2.87Å; Y446-F462 WeakPolarHBondContact O-CD1 3.4Å; Y446-F462 PolarHBondContact O-N 3.11Å; A448-F462 HydrophobicContact CB-CE1 3.85Å; A448-F462 HydrophobicContact CB-CZ 4.48Å; V460-F462 HydrophobicContact CG2-CD1 4.1Å; V460-F462 HydrophobicContact CG2-CE1 4.3Å; F462-L464 HydrophobicContact CD2-CB 4.41Å; F462-L464 HydrophobicContact CE2-CB 4.27Å; F462-V470 HydrophobicContact CB-CG1 3.67Å; F462-V470 HydrophobicContact CD2-CG1 3.61Å; F462-V470 HydrophobicContact CE2-CG1 4.49Å; F462-V470 HydrophobicContact CG-CG1 3.79Å; F462-D471 CarbonylContact C-O 3.5Å; F462-D471 WeakPolarHBondContact CA-O 3.34Å; F462-D471 WeakPolarHBondContact CB-O 3.48Å; F462-I472 HydrophobicContact CB-CG1 4.38Å |
| 463 | E | 95.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 140.9 | 165.5 | -63.1 | -179.3 | -169 | 0 | 0 | 109 | R443 L445 V470 D471 V473 | R443-E463 IonicContact CZ-OE1 2.96Å; R443-E463 IonicContact NE-OE1 3.08Å; R443-E463 IonicContact NH1-OE1 3.8Å; R443-E463 PolarHBondContact NH1-OE1 2.8Å; L445-E463 HydrophobicContact CD2-CG 3.54Å; E463-V470 WeakPolarHBondContact O-CA 3.46Å; E463-D471 HydrophobicContact CB-CB 4.3Å; E463-D471 PolarHBondContact N-O 3.2Å; E463-D471 PolarHBondContact O-N 2.9Å; E463-V473 HydrophobicContact CG-CG2 4.23Å |
| 464 | L | 93.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.9 | 178 | 175.6 | 61.8 | 0 | 0 | 0 | 109.5 | K401 I408 P410 Y446 F462 V470 | K401-L464 HydrophobicContact CB-CD2 3.76Å; K401-L464 HydrophobicContact CD-CD2 4.25Å; I408-L464 HydrophobicContact CG2-CD1 4.04Å; I408-L464 HydrophobicContact CG2-CD2 4.25Å; I408-L464 HydrophobicContact CG2-CG 4.27Å; P410-L464 HydrophobicContact CG-CD1 3.66Å; Y446-L464 HydrophobicContact CD2-CB 3.64Å; Y446-L464 HydrophobicContact CE2-CB 3.64Å; F462-L464 HydrophobicContact CD2-CB 4.41Å; F462-L464 HydrophobicContact CE2-CB 4.27Å; L464-V470 HydrophobicContact CD1-CG2 3.9Å |
| 465 | H | 90.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 45.3 Ų | 45.3 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | trans | -89.9 | 158.4 | 179.5 | -63 | -88.5 | 0 | 0 | 0 | 111.8 | N467 G468 Y469 D471 | H465-N467 VanDerWaalsContact CB-OD1 3.28Å; H465-N467 WeakPolarHBondContact CB-OD1 3.38Å; H465-N467 PolarHBondContact O-N 2.84Å; H465-N467 VanDerWaalsContact O-N 3.15Å; H465-G468 PolarHBondContact O-N 2.85Å; H465-Y469 AromaticContact CD2-CD1 3.77Å; H465-Y469 PolarHBondContact CD2-O 2.81Å; H465-Y469 PolarHBondContact N-O 2.94Å; H465-D471 IonicContact CD2-OD2 3.86Å; H465-D471 IonicContact CE1-OD2 2.79Å; H465-D471 IonicContact NE2-OD2 3.41Å; H465-D471 PolarHBondContact NE2-OD2 3.44Å | ||
| 466 | E | 86 | Confident | 94 | Very high | 147 Ų | 147 | 41.6 Ų | 41.6 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.2 | -178.4 | -66.4 | -166.1 | 148.6 | 0 | 0 | 114.1 | N405 G468 | N405-E466 PolarHBondContact ND2-OE1 2.97Å; E466-G468 PolarHBondContact O-N 2.98Å |
| 467 | N | 85.1 | Confident | 94.2 | Very high | 132 Ų | 132 | 41.6 Ų | 41.6 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.9 | 175.8 | 66.2 | -6.1 | 0 | 0 | 0 | 113.6 | H465 Y469 | H465-N467 VanDerWaalsContact CB-OD1 3.28Å; H465-N467 WeakPolarHBondContact CB-OD1 3.38Å; H465-N467 PolarHBondContact O-N 2.84Å; H465-N467 VanDerWaalsContact O-N 3.15Å; N467-Y469 VanDerWaalsContact C-N 3.3Å; N467-Y469 WeakPolarHBondContact OD1-CB 3.35Å; N467-Y469 PolarHBondContact OD1-N 3.4Å |
| 468 | G | 85.1 | Confident | 94.1 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 80.6 | 4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H465 E466 | H465-G468 PolarHBondContact O-N 2.85Å; E466-G468 PolarHBondContact O-N 2.98Å |
| 469 | Y | 90.8 | Very high | 93.9 | Very high | 133 Ų | 133 | 47 Ų | 47 | 52% | 0.522 | 24% | 0.237 | S | C | . | . | trans | -71 | 140.7 | 173.2 | -172.7 | -111.1 | 0 | 0 | 0 | 110.8 | H465 N467 D471 | H465-Y469 AromaticContact CD2-CD1 3.77Å; H465-Y469 PolarHBondContact CD2-O 2.81Å; H465-Y469 PolarHBondContact N-O 2.94Å; N467-Y469 VanDerWaalsContact C-N 3.3Å; N467-Y469 WeakPolarHBondContact OD1-CB 3.35Å; N467-Y469 PolarHBondContact OD1-N 3.4Å; Y469-D471 WeakPolarHBondContact CE1-OD1 3.39Å | ||
| 470 | V | 95.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.6 | -177.3 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | P410 A414 F415 F462 E463 L464 I472 | P410-V470 HydrophobicContact CB-CG2 3.82Å; P410-V470 HydrophobicContact CG-CG2 3.95Å; A414-V470 HydrophobicContact CB-CB 3.97Å; A414-V470 HydrophobicContact CB-CG2 3.82Å; F415-V470 HydrophobicContact CD1-CG1 4.3Å; F415-V470 HydrophobicContact CE1-CG1 3.75Å; F415-V470 HydrophobicContact CE1-CG2 4.49Å; F415-V470 HydrophobicContact CE2-CG2 4.23Å; F415-V470 HydrophobicContact CZ-CG1 4.04Å; F415-V470 HydrophobicContact CZ-CG2 3.97Å; F462-V470 HydrophobicContact CB-CG1 3.67Å; F462-V470 HydrophobicContact CD2-CG1 3.61Å; F462-V470 HydrophobicContact CE2-CG1 4.49Å; F462-V470 HydrophobicContact CG-CG1 3.79Å; E463-V470 WeakPolarHBondContact O-CA 3.46Å; L464-V470 HydrophobicContact CD1-CG2 3.9Å; V470-I472 HydrophobicContact CG1-CG1 4.14Å |
| 471 | D | 94.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 105.3 | 172.5 | -80.5 | -50.5 | 0 | 0 | 0 | 109.7 | F462 E463 H465 Y469 V473 | F462-D471 CarbonylContact C-O 3.5Å; F462-D471 WeakPolarHBondContact CA-O 3.34Å; F462-D471 WeakPolarHBondContact CB-O 3.48Å; E463-D471 HydrophobicContact CB-CB 4.3Å; E463-D471 PolarHBondContact N-O 3.2Å; E463-D471 PolarHBondContact O-N 2.9Å; H465-D471 IonicContact CD2-OD2 3.86Å; H465-D471 IonicContact CE1-OD2 2.79Å; H465-D471 IonicContact NE2-OD2 3.41Å; H465-D471 PolarHBondContact NE2-OD2 3.44Å; Y469-D471 WeakPolarHBondContact CE1-OD1 3.39Å; D471-V473 PolarHBondContact O-N 2.99Å |
| 472 | I | 95.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 111.8 | 178.2 | -57.2 | -178.5 | 0 | 0 | 0 | 109.4 | F415 E418 F462 V470 | F415-I472 HydrophobicContact CD1-CD1 4.22Å; E418-I472 HydrophobicContact CB-CD1 3.92Å; E418-I472 HydrophobicContact CG-CD1 3.5Å; E418-I472 VanDerWaalsContact CG-CD1 3.5Å; E418-I472 HydrophobicContact CG-CG2 3.99Å; F462-I472 HydrophobicContact CB-CG1 4.38Å; V470-I472 HydrophobicContact CG1-CG1 4.14Å |
| 473 | V | 94.6 | Very high | 93.1 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -39.5 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 111 | L445 L461 E463 D471 | L445-V473 HydrophobicContact CD1-CB 4.25Å; L445-V473 HydrophobicContact CD1-CG1 4.04Å; L445-V473 HydrophobicContact CD1-CG2 4.46Å; L445-V473 HydrophobicContact CD2-CB 4.44Å; L445-V473 HydrophobicContact CD2-CG2 3.78Å; L461-V473 PolarHBondContact O-N 2.81Å; E463-V473 HydrophobicContact CG-CG2 4.23Å; D471-V473 PolarHBondContact O-N 2.99Å |
| 474 | Q | 95.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 145.2 | -177.5 | -175.8 | 170.6 | 1.3 | 0 | 0 | 112.3 | L461 L476 F532 | L461-Q474 HydrophobicContact CB-CB 4.28Å; L461-Q474 HydrophobicContact CD1-CB 4.34Å; L461-Q474 PolarHBondContact N-O 2.98Å; L461-Q474 PolarHBondContact O-N 2.72Å; L461-Q474 VanDerWaalsContact O-N 3.15Å; Q474-L476 HydrophobicContact CG-CD2 4.14Å; Q474-F532 PolarHBondContact NE2-O 3.24Å |
| 475 | A | 96.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E418 K458 V459 V460 | E418-A475 HydrophobicContact CG-CB 4.22Å; E418-A475 WeakPolarHBondContact OE2-CB 3.47Å; K458-A475 HydrophobicContact CD-CB 4.5Å; V459-A475 CarbonylContact O-C 3.46Å; V459-A475 WeakPolarHBondContact O-CA 3.36Å; V460-A475 HydrophobicContact CG1-CB 4.16Å |
| 476 | L | 97.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.9 | 177 | -52.5 | 176.9 | 0 | 0 | 0 | 109.1 | K458 V459 L461 Q474 Y485 L503 V505 Y524 | K458-L476 CarbonylContact C-O 3.53Å; K458-L476 VanDerWaalsContact CA-O 3.31Å; K458-L476 WeakPolarHBondContact CA-O 3.13Å; K458-L476 WeakPolarHBondContact CG-O 3.43Å; V459-L476 HydrophobicContact CB-CB 4.27Å; V459-L476 PolarHBondContact N-O 3.49Å; V459-L476 PolarHBondContact O-N 2.84Å; L461-L476 HydrophobicContact CD1-CD1 4.13Å; L461-L476 HydrophobicContact CD1-CG 4.17Å; Q474-L476 HydrophobicContact CG-CD2 4.14Å; L476-Y485 HydrophobicContact CB-CE1 4.41Å; L476-Y485 WeakPolarHBondContact CB-OH 3.25Å; L476-L503 HydrophobicContact CD1-CD2 4.18Å; L476-V505 HydrophobicContact CD1-CG2 4.32Å; L476-Y524 HydrophobicContact CD1-CD1 4.03Å; L476-Y524 HydrophobicContact CD1-CD2 4.08Å; L476-Y524 HydrophobicContact CD1-CE1 4.03Å; L476-Y524 HydrophobicContact CD1-CE2 4.06Å; L476-Y524 HydrophobicContact CD1-CG 4.08Å; L476-Y524 HydrophobicContact CD2-CD1 4Å; L476-Y524 HydrophobicContact CD2-CE1 3.76Å; L476-Y524 HydrophobicContact CG-CE1 4.36Å |
| 477 | N | 96.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.1 | -173.7 | -67.4 | -73.8 | 0 | 0 | 0 | 111.7 | K458 | K458-N477 WeakPolarHBondContact CE-OD1 3.43Å |
| 478 | G | 94.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | trans | -69.8 | 143.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G457 | G457-G478 PolarHBondContact O-N 3.05Š| ||
| 479 | E | 92.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 42.1 Ų | 42.1 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -83.5 | -41.4 | -175.4 | -61.8 | 175.9 | 166 | 0 | 0 | 112.5 | K520 Y522 | E479-K520 IonicContact OE2-NZ 3.39Å; E479-K520 PolarHBondContact OE2-NZ 3Å; E479-Y522 PolarHBondContact OE2-OH 2.8Å |
| 480 | Q | 94.6 | Very high | 95.8 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -112.9 | 135.5 | -168.1 | -171.6 | -170.1 | 85.4 | 0 | 0 | 112 | S483 Y510 L511 | Q480-S483 VanDerWaalsContact O-CB 3.31Å; Q480-S483 WeakPolarHBondContact O-CB 3.18Å; Q480-S483 PolarHBondContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.87Å; Q480-Y510 HydrophobicContact CB-CD2 3.99Å; Q480-Y510 HydrophobicContact CB-CE2 3.89Å; Q480-Y510 HydrophobicContact CG-CE2 4.47Å; Q480-L511 PolarHBondContact NE2-O 3.21Å; Q480-L511 VanDerWaalsContact NE2-O 3.09Å |
| 481 | I | 92.2 | Very high | 95.8 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 58% | 0.579 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 140.5 | 174.6 | -166.1 | 171.6 | 0 | 0 | 0 | 111 | H455 K456 S483 | H455-I481 HydrophobicContact CB-CD1 3.95Å; H455-I481 HydrophobicContact CB-CG1 3.63Å; H455-I481 CarbonylContact O-C 3.57Å; H455-I481 VanDerWaalsContact O-CA 3.31Å; H455-I481 WeakPolarHBondContact O-CA 3.07Å; H455-I481 WeakPolarHBondContact O-CG1 3.37Å; K456-I481 HydrophobicContact CG-CB 4.38Å; I481-S483 PolarHBondContact O-N 3.5Å |
| 482 | G | 91.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 34.5 Ų | 34.5 | 45% | 0.454 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -1.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H455 Y484 M509 | H455-G482 PolarHBondContact O-N 3.49Å; G482-Y484 PolarHBondContact O-N 3.06Å; G482-M509 WeakPolarHBondContact O-CB 3.39Å |
| 483 | S | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -70.5 | -15.3 | -175.6 | 68.5 | 0 | 0 | 0 | 0 | 114.2 | K456 Q480 I481 Y485 A507 M509 | K456-S483 PolarHBondContact O-OG 3.48Å; Q480-S483 VanDerWaalsContact O-CB 3.31Å; Q480-S483 WeakPolarHBondContact O-CB 3.18Å; Q480-S483 PolarHBondContact O-N 3.16Å; Q480-S483 PolarHBondContact O-OG 2.87Å; I481-S483 PolarHBondContact O-N 3.5Å; S483-Y485 VanDerWaalsContact C-N 3.29Å; S483-Y485 PolarHBondContact O-N 2.83Å; S483-A507 CarbonylContact O-C 3.55Å; S483-A507 VanDerWaalsContact O-CA 3.27Å; S483-A507 WeakPolarHBondContact O-CA 3.27Å; S483-A507 WeakPolarHBondContact O-CB 3.36Å; S483-M509 PolarHBondContact O-N 2.93Å; S483-M509 VanDerWaalsContact O-N 3.15Å |
| 484 | Y | 97.1 | Very high | 96 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | trans | 62.5 | 35.7 | 179.7 | -138.7 | -119.6 | 0 | 0 | 0 | 112.3 | Y432 P451 R452 G482 G486 S487 M509 | Y432-Y484 HydrophobicContact CD1-CE1 4.46Å; Y432-Y484 AromaticContact CE1-CE1 3.85Å; Y432-Y484 HydrophobicContact CE1-CE1 3.85Å; Y432-Y484 HydrophobicContact CE2-CE1 4.11Å; Y432-Y484 AromaticContact CE2-CZ 3.98Å; Y432-Y484 WeakPolarHBondContact CE2-OH 3.26Å; Y432-Y484 AromaticContact CZ-CE1 3.66Å; P451-Y484 HydrophobicContact CB-CD1 3.95Å; P451-Y484 HydrophobicContact CB-CD2 3.89Å; P451-Y484 HydrophobicContact CB-CE1 4.04Å; P451-Y484 HydrophobicContact CB-CE2 4.02Å; P451-Y484 HydrophobicContact CB-CG 3.83Å; P451-Y484 HydrophobicContact CG-CD1 4.38Å; P451-Y484 HydrophobicContact CG-CE1 3.97Å; P451-Y484 HydrophobicContact CG-CE2 4.15Å; R452-Y484 HydrophobicContact CG-CE2 3.84Å; G482-Y484 PolarHBondContact O-N 3.06Å; Y484-G486 PolarHBondContact O-N 2.95Å; Y484-S487 VanDerWaalsContact O-CB 3.24Å; Y484-S487 WeakPolarHBondContact O-CB 3.46Å; Y484-S487 PolarHBondContact O-N 3.09Å; Y484-S487 PolarHBondContact O-OG 3.16Å; Y484-M509 HydrophobicContact CD1-CE 4.3Å; Y484-M509 HydrophobicContact CD2-SD 4.32Å; Y484-M509 HydrophobicContact CG-CE 4.36Å; Y484-M509 HydrophobicContact CG-SD 4.09Å | ||
| 485 | Y | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -60.5 | 127.5 | -178.4 | 174.5 | -86.7 | 0 | 0 | 0 | 112.3 | P451 K456 G457 V459 L476 S483 V505 A506 A507 Y522 Y524 | P451-Y485 VanDerWaalsContact CA-O 3.31Å; P451-Y485 WeakPolarHBondContact CA-O 3.31Å; K456-Y485 WeakPolarHBondContact O-CB 3.38Å; G457-Y485 VanDerWaalsContact CA-O 3.28Å; G457-Y485 WeakPolarHBondContact CA-O 3.42Å; V459-Y485 HydrophobicContact CB-CE1 4.44Å; V459-Y485 HydrophobicContact CG2-CD1 4.34Å; V459-Y485 HydrophobicContact CG2-CE1 3.82Å; L476-Y485 HydrophobicContact CB-CE1 4.41Å; L476-Y485 WeakPolarHBondContact CB-OH 3.25Å; S483-Y485 VanDerWaalsContact C-N 3.29Å; S483-Y485 PolarHBondContact O-N 2.83Å; Y485-V505 HydrophobicContact CD1-CG1 4.21Å; Y485-V505 HydrophobicContact CD2-CG1 3.96Å; Y485-V505 HydrophobicContact CE1-CG1 3.79Å; Y485-V505 HydrophobicContact CE2-CB 4.04Å; Y485-V505 HydrophobicContact CE2-CG1 3.53Å; Y485-V505 HydrophobicContact CG-CG1 4.28Å; Y485-V505 VanDerWaalsContact CZ-CG1 3.42Å; Y485-A506 CarbonylContact C-O 3.6Å; Y485-A506 WeakPolarHBondContact CA-O 3.19Å; Y485-A507 HydrophobicContact CD2-CB 4.29Å; Y485-Y522 AromaticContact CD2-CD2 3.7Å; Y485-Y522 HydrophobicContact CD2-CD2 3.7Å; Y485-Y522 AromaticContact CD2-CE2 3.65Å; Y485-Y522 HydrophobicContact CD2-CE2 3.65Å; Y485-Y522 HydrophobicContact CD2-CG 4.46Å; Y485-Y522 AromaticContact CE2-CD2 3.59Å; Y485-Y522 HydrophobicContact CE2-CD2 3.59Å; Y485-Y522 AromaticContact CE2-CE2 3.94Å; Y485-Y522 HydrophobicContact CE2-CE2 3.94Å; Y485-Y522 AromaticContact CE2-CG 3.93Å; Y485-Y522 HydrophobicContact CE2-CG 3.93Å; Y485-Y524 WeakPolarHBondContact OH-CE2 3.43Å; Y485-Y524 VanDerWaalsContact OH-CZ 3.26Å; Y485-Y524 PolarHBondContact OH-OH 2.94Å |
| 486 | G | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 14 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T433 G449 Y484 E488 A506 | T433-G486 PolarHBondContact OG1-O 2.83Å; G449-G486 WeakPolarHBondContact CA-O 3.35Å; Y484-G486 PolarHBondContact O-N 2.95Å; G486-E488 VanDerWaalsContact C-N 3.31Å; G486-A506 PolarHBondContact N-O 3.07Å |
| 487 | S | 97.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -80.8 | -11.4 | 175.9 | 71.4 | 0 | 0 | 0 | 0 | 114.5 | T433 Y484 P508 | T433-S487 WeakPolarHBondContact CG2-O 3.41Å; Y484-S487 VanDerWaalsContact O-CB 3.24Å; Y484-S487 WeakPolarHBondContact O-CB 3.46Å; Y484-S487 PolarHBondContact O-N 3.09Å; Y484-S487 PolarHBondContact O-OG 3.16Å; S487-P508 WeakPolarHBondContact OG-CD 3.28Å; S487-P508 VanDerWaalsContact OG-CG 3.24Å; S487-P508 WeakPolarHBondContact OG-CG 3.18Å |
| 488 | E | 97.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 37.4 Ų | 37.4 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -149.4 | 136.9 | 173.6 | -169.3 | 71.1 | 169.4 | 0 | 0 | 108.1 | G486 A506 L553 | G486-E488 VanDerWaalsContact C-N 3.31Å; E488-A506 HydrophobicContact CB-CB 3.79Å; E488-A506 PolarHBondContact O-N 3.19Å; E488-L553 HydrophobicContact CB-CD1 4.33Å; E488-L553 HydrophobicContact CB-CG 4.41Å; E488-L553 HydrophobicContact CG-CB 3.77Å; E488-L553 HydrophobicContact CG-CD1 3.83Å; E488-L553 HydrophobicContact CG-CG 3.59Å; E488-L553 PolarHBondContact OE1-N 2.91Å; E488-L553 VanDerWaalsContact OE1-N 3.13Å |
| 489 | L | 97.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.5 | -175.5 | -62.8 | 174.4 | 0 | 0 | 0 | 109.7 | T433 V447 V459 L504 V505 | T433-L489 WeakPolarHBondContact OG1-CD1 3.02Å; T433-L489 WeakPolarHBondContact OG1-CG 3.32Å; V447-L489 HydrophobicContact CB-CD1 4.37Å; V447-L489 HydrophobicContact CG1-CD1 3.74Å; V459-L489 HydrophobicContact CG1-CD1 4.31Å; V459-L489 HydrophobicContact CG1-CD2 3.97Å; V459-L489 HydrophobicContact CG2-CD2 3.8Å; L489-L504 WeakPolarHBondContact CA-O 3.32Å; L489-V505 HydrophobicContact CD2-CB 4.22Å; L489-V505 HydrophobicContact CD2-CG1 3.94Å; L489-V505 HydrophobicContact CD2-CG2 3.83Å |
| 490 | C | 96.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 8% | 0.081 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 110 | 175.3 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | L504 L553 | C490-L504 HydrophobicContact CB-CB 4.2Å; C490-L504 PolarHBondContact N-O 3.21Å; C490-L504 PolarHBondContact O-N 3.46Å; C490-L553 HydrophobicContact CB-CB 3.93Å; C490-L553 HydrophobicContact CB-CD1 3.93Å |
| 491 | G | 96.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 492 | L | 96.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.5 | -175.1 | -54.4 | 165.9 | 0 | 0 | 0 | 109.8 | I494 D501 V502 L504 A555 T565 V567 I591 | L492-I494 HydrophobicContact CB-CD1 3.7Å; L492-I494 HydrophobicContact CB-CG1 4.27Å; L492-I494 HydrophobicContact CD1-CD1 4.14Å; L492-I494 HydrophobicContact CG-CD1 4.49Å; L492-D501 PolarHBondContact O-N 2.77Å; L492-V502 HydrophobicContact CB-CB 4.23Å; L492-V502 HydrophobicContact CD1-CB 4.29Å; L492-V502 HydrophobicContact CD1-CG1 4.17Å; L492-V502 PolarHBondContact N-O 3.14Å; L492-V502 PolarHBondContact O-N 3.06Å; L492-L504 HydrophobicContact CD1-CD1 3.77Å; L492-L504 HydrophobicContact CD1-CG 3.84Å; L492-A555 HydrophobicContact CD2-CB 3.5Å; L492-T565 HydrophobicContact CD2-CG2 4.33Å; L492-V567 HydrophobicContact CD1-CG2 3.34Å; L492-V567 HydrophobicContact CD2-CG2 3.61Å; L492-V567 HydrophobicContact CG-CG2 4.11Å; L492-I591 HydrophobicContact CD1-CD1 4.27Å |
| 493 | D | 96.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | trans | -90.3 | 104.5 | 160.7 | 172.9 | 0 | 0 | 0 | 0 | 106.1 | K496 D497 G498 I499 T565 | D493-K496 WeakPolarHBondContact OD1-CA 3.44Å; D493-K496 PolarHBondContact OD1-N 2.93Å; D493-K496 WeakPolarHBondContact OD2-CA 3.38Å; D493-D497 PolarHBondContact OD1-N 2.84Å; D493-G498 WeakPolarHBondContact OD2-CA 3.44Å; D493-G498 PolarHBondContact OD2-N 2.92Å; D493-I499 WeakPolarHBondContact CA-O 3.42Å; D493-I499 VanDerWaalsContact CB-O 3.22Å; D493-I499 WeakPolarHBondContact CB-O 3.17Å; D493-T565 WeakPolarHBondContact O-CB 3.49Å; D493-T565 PolarHBondContact O-OG1 3.15Å | ||
| 494 | I | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -82.9 | -41.9 | -168.6 | -60 | -68.7 | 0 | 0 | 0 | 110.2 | L492 D501 V502 F564 T565 D588 | L492-I494 HydrophobicContact CB-CD1 3.7Å; L492-I494 HydrophobicContact CB-CG1 4.27Å; L492-I494 HydrophobicContact CD1-CD1 4.14Å; L492-I494 HydrophobicContact CG-CD1 4.49Å; I494-D501 HydrophobicContact CB-CB 4.47Å; I494-D501 WeakPolarHBondContact CB-OD2 3.26Å; I494-D501 HydrophobicContact CG1-CB 4.16Å; I494-D501 PolarHBondContact N-OD2 2.87Å; I494-V502 HydrophobicContact CG1-CG2 4.04Å; I494-F564 HydrophobicContact CG2-CB 3.95Å; I494-F564 HydrophobicContact CG2-CD1 4.14Å; I494-F564 HydrophobicContact CG2-CG 4.4Å; I494-F564 CarbonylContact O-C 3.4Å; I494-F564 WeakPolarHBondContact O-CA 3.29Å; I494-T565 PolarHBondContact O-N 3.13Å; I494-D588 WeakPolarHBondContact CG2-O 3.32Å |
| 495 | D | 95.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 22.4 Ų | 22.4 | 31% | 0.305 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -93.4 | -2.4 | -177.9 | 73.8 | -5.7 | 0 | 0 | 0 | 114.4 | D497 F564 | D495-D497 WeakPolarHBondContact OD1-CB 3.36Å; D495-D497 VanDerWaalsContact OD1-CG 3.29Å; D495-D497 PolarHBondContact OD1-N 3.15Å; D495-F564 HydrophobicContact CB-CD1 4.25Å; D495-F564 HydrophobicContact CB-CE1 4.15Å |
| 496 | K | 94.8 | Very high | 96.5 | Very high | 98 Ų | 98 | 22.4 Ų | 22.4 | 43% | 0.426 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 67.9 | 34 | 175.7 | -57.6 | 169.4 | -178.9 | 147.5 | 0 | 112.8 | D493 G498 P557 G563 T565 | D493-K496 WeakPolarHBondContact OD1-CA 3.44Å; D493-K496 PolarHBondContact OD1-N 2.93Å; D493-K496 WeakPolarHBondContact OD2-CA 3.38Å; K496-G498 VanDerWaalsContact C-N 3.34Å; K496-P557 WeakPolarHBondContact CE-O 3.41Å; K496-P557 PolarHBondContact NZ-O 2.96Å; K496-G563 PolarHBondContact NZ-O 2.81Å; K496-T565 WeakPolarHBondContact CE-OG1 3.44Å |
| 497 | D | 93.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 22.4 Ų | 22.4 | 40% | 0.401 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -85.7 | -7.3 | 176.7 | 82.7 | -8.4 | 0 | 0 | 0 | 113.6 | W442 D493 D495 I499 | W442-D497 WeakPolarHBondContact CH2-O 3.25Å; D493-D497 PolarHBondContact OD1-N 2.84Å; D495-D497 WeakPolarHBondContact OD1-CB 3.36Å; D495-D497 VanDerWaalsContact OD1-CG 3.29Å; D495-D497 PolarHBondContact OD1-N 3.15Å; D497-I499 WeakPolarHBondContact OD1-CA 3.43Å; D497-I499 VanDerWaalsContact OD1-CB 3.24Å; D497-I499 WeakPolarHBondContact OD1-CB 3.25Å; D497-I499 PolarHBondContact OD1-N 3.36Å |
| 498 | G | 92.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 22.1 Ų | 22.1 | 33% | 0.33 | 13% | 0.127 | S | C | . | . | S | Bend | trans | 95.6 | -2.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D493 K496 | D493-G498 WeakPolarHBondContact OD2-CA 3.44Å; D493-G498 PolarHBondContact OD2-N 2.92Å; K496-G498 VanDerWaalsContact C-N 3.34Å |
| 499 | I | 94.3 | Very high | 96.3 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -103.4 | 142 | 176.4 | -61.7 | 161.8 | 0 | 0 | 0 | 108.8 | D493 D497 D501 L526 | D493-I499 WeakPolarHBondContact CA-O 3.42Å; D493-I499 VanDerWaalsContact CB-O 3.22Å; D493-I499 WeakPolarHBondContact CB-O 3.17Å; D497-I499 WeakPolarHBondContact OD1-CA 3.43Å; D497-I499 VanDerWaalsContact OD1-CB 3.24Å; D497-I499 WeakPolarHBondContact OD1-CB 3.25Å; D497-I499 PolarHBondContact OD1-N 3.36Å; I499-D501 PolarHBondContact O-N 3Å; I499-L526 HydrophobicContact CG2-CD2 3.72Å |
| 500 | T | 96.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | trans | -81.7 | 107 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | V437 V438 F532 | V437-T500 WeakPolarHBondContact CA-OG1 3.39Å; V437-T500 HydrophobicContact CB-CG2 3.95Å; V437-T500 HydrophobicContact CG1-CG2 3.79Å; V438-T500 PolarHBondContact N-OG1 3.01Å; V438-T500 WeakPolarHBondContact O-CB 3.46Å; V438-T500 PolarHBondContact O-N 2.9Å; V438-T500 PolarHBondContact O-OG1 3.49Å; T500-F532 HydrophobicContact CG2-CE1 4.4Å; T500-F532 HydrophobicContact CG2-CZ 4.14Å | ||
| 501 | D | 95.8 | Very high | 96 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | trans | -73.5 | -42 | 176.7 | -59.3 | -54.3 | 0 | 0 | 0 | 113.1 | L492 I494 I499 T525 L526 I589 | L492-D501 PolarHBondContact O-N 2.77Å; I494-D501 HydrophobicContact CB-CB 4.47Å; I494-D501 WeakPolarHBondContact CB-OD2 3.26Å; I494-D501 HydrophobicContact CG1-CB 4.16Å; I494-D501 PolarHBondContact N-OD2 2.87Å; I499-D501 PolarHBondContact O-N 3Å; D501-T525 CarbonylContact O-C 3.59Å; D501-T525 WeakPolarHBondContact O-CA 3.48Å; D501-L526 PolarHBondContact O-N 3.48Å; D501-I589 HydrophobicContact CB-CB 4.25Å | ||
| 502 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.7 | -169.6 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | L492 I494 L504 I523 Y524 T525 I591 | L492-V502 HydrophobicContact CB-CB 4.23Å; L492-V502 HydrophobicContact CD1-CB 4.29Å; L492-V502 HydrophobicContact CD1-CG1 4.17Å; L492-V502 PolarHBondContact N-O 3.14Å; L492-V502 PolarHBondContact O-N 3.06Å; I494-V502 HydrophobicContact CG1-CG2 4.04Å; V502-L504 HydrophobicContact CG1-CD2 3.85Å; V502-L504 HydrophobicContact CG1-CG 4.32Å; V502-I523 HydrophobicContact CG1-CG2 3.81Å; V502-Y524 CarbonylContact C-O 3.58Å; V502-Y524 VanDerWaalsContact CA-O 3.31Å; V502-Y524 WeakPolarHBondContact CA-O 3.19Å; V502-T525 HydrophobicContact CG2-CG2 4.3Å; V502-I591 HydrophobicContact CG1-CG2 4.47Å |
| 503 | L | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.1 | 166.9 | 175.9 | 63.2 | 0 | 0 | 0 | 109.1 | V437 V447 L461 L476 V505 Y524 F532 | V437-L503 HydrophobicContact CG1-CD1 4.27Å; V447-L503 HydrophobicContact CG1-CD2 4.37Å; L461-L503 HydrophobicContact CD1-CD2 4.39Å; L461-L503 HydrophobicContact CD2-CD2 4.29Å; L476-L503 HydrophobicContact CD1-CD2 4.18Å; L503-V505 HydrophobicContact CD2-CG2 4.4Å; L503-V505 HydrophobicContact CG-CG2 4.18Å; L503-Y524 PolarHBondContact N-O 3.42Å; L503-Y524 PolarHBondContact O-N 2.9Å; L503-F532 HydrophobicContact CB-CD1 3.67Å; L503-F532 HydrophobicContact CB-CE1 3.74Å; L503-F532 HydrophobicContact CB-CG 4.23Å; L503-F532 HydrophobicContact CB-CZ 4.35Å; L503-F532 HydrophobicContact CD2-CG 4.48Å |
| 504 | L | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.5 | 171 | -59.6 | -175.8 | 0 | 0 | 0 | 110.5 | L489 C490 L492 V502 V521 Y522 I523 L538 L553 V567 I591 | L489-L504 WeakPolarHBondContact CA-O 3.32Å; C490-L504 HydrophobicContact CB-CB 4.2Å; C490-L504 PolarHBondContact N-O 3.21Å; C490-L504 PolarHBondContact O-N 3.46Å; L492-L504 HydrophobicContact CD1-CD1 3.77Å; L492-L504 HydrophobicContact CD1-CG 3.84Å; V502-L504 HydrophobicContact CG1-CD2 3.85Å; V502-L504 HydrophobicContact CG1-CG 4.32Å; L504-V521 HydrophobicContact CB-CG1 4.1Å; L504-V521 HydrophobicContact CD1-CG1 4.45Å; L504-V521 HydrophobicContact CD2-CG1 4.42Å; L504-Y522 WeakPolarHBondContact CA-O 3.42Å; L504-I523 HydrophobicContact CD2-CB 4.25Å; L504-I523 HydrophobicContact CD2-CG1 3.88Å; L504-I523 HydrophobicContact CD2-CG2 4.29Å; L504-L538 HydrophobicContact CD1-CD1 4.18Å; L504-L553 HydrophobicContact CB-CD1 4.02Å; L504-V567 HydrophobicContact CD1-CB 4.49Å; L504-V567 HydrophobicContact CD1-CG1 3.85Å; L504-V567 HydrophobicContact CD1-CG2 4.01Å; L504-I591 HydrophobicContact CD1-CD1 4.38Å |
| 505 | V | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 119.3 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | V459 L476 Y485 L489 L503 Y522 Y524 | V459-V505 HydrophobicContact CG2-CG1 3.62Å; V459-V505 HydrophobicContact CG2-CG2 4.36Å; L476-V505 HydrophobicContact CD1-CG2 4.32Å; Y485-V505 HydrophobicContact CD1-CG1 4.21Å; Y485-V505 HydrophobicContact CD2-CG1 3.96Å; Y485-V505 HydrophobicContact CE1-CG1 3.79Å; Y485-V505 HydrophobicContact CE2-CB 4.04Å; Y485-V505 HydrophobicContact CE2-CG1 3.53Å; Y485-V505 HydrophobicContact CG-CG1 4.28Å; Y485-V505 VanDerWaalsContact CZ-CG1 3.42Å; L489-V505 HydrophobicContact CD2-CB 4.22Å; L489-V505 HydrophobicContact CD2-CG1 3.94Å; L489-V505 HydrophobicContact CD2-CG2 3.83Å; L503-V505 HydrophobicContact CD2-CG2 4.4Å; L503-V505 HydrophobicContact CG-CG2 4.18Å; V505-Y522 PolarHBondContact N-O 2.78Å; V505-Y522 WeakPolarHBondContact O-CD2 3.22Å; V505-Y522 PolarHBondContact O-N 2.86Å; V505-Y524 HydrophobicContact CB-CE2 4.12Å; V505-Y524 HydrophobicContact CG2-CD2 3.92Å; V505-Y524 HydrophobicContact CG2-CE2 3.85Å |
| 506 | A | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 152.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y485 G486 E488 V521 G550 L553 | Y485-A506 CarbonylContact C-O 3.6Å; Y485-A506 WeakPolarHBondContact CA-O 3.19Å; G486-A506 PolarHBondContact N-O 3.07Å; E488-A506 HydrophobicContact CB-CB 3.79Å; E488-A506 PolarHBondContact O-N 3.19Å; A506-V521 HydrophobicContact CB-CG2 4.2Å; A506-G550 WeakPolarHBondContact CB-O 3.44Å; A506-L553 HydrophobicContact CB-CD1 4.29Å |
| 507 | A | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 74.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | S483 Y485 M509 Y510 G519 K520 Y522 | S483-A507 CarbonylContact O-C 3.55Å; S483-A507 VanDerWaalsContact O-CA 3.27Å; S483-A507 WeakPolarHBondContact O-CA 3.27Å; S483-A507 WeakPolarHBondContact O-CB 3.36Å; Y485-A507 HydrophobicContact CD2-CB 4.29Å; A507-M509 PolarHBondContact O-N 2.59Å; A507-Y510 WeakPolarHBondContact O-CB 3.28Å; A507-Y510 PolarHBondContact O-N 3.16Å; A507-G519 WeakPolarHBondContact O-CA 3.11Å; A507-K520 PolarHBondContact N-O 3.06Å; A507-K520 PolarHBondContact O-N 3.22Å; A507-K520 VanDerWaalsContact O-N 3.07Å; A507-Y522 HydrophobicContact CB-CE2 3.89Å |
| 508 | P | 96.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.5 | -170.2 | 24.7 | -33.7 | 0 | 0 | 0 | 113.3 | S487 Y510 G519 R548 | S487-P508 WeakPolarHBondContact OG-CD 3.28Å; S487-P508 VanDerWaalsContact OG-CG 3.24Å; S487-P508 WeakPolarHBondContact OG-CG 3.18Å; P508-Y510 VanDerWaalsContact C-N 3.3Å; P508-G519 WeakPolarHBondContact O-CA 3.39Å; P508-R548 HydrophobicContact CB-CB 4.2Å; P508-R548 VanDerWaalsContact O-CA 3.26Å; P508-R548 WeakPolarHBondContact O-CA 3.19Å |
| 509 | M | 95.2 | Very high | 91.7 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 11.1 | 177.8 | -60.9 | -178.4 | -172.2 | 0 | 0 | 112.6 | G482 S483 Y484 A507 L511 | G482-M509 WeakPolarHBondContact O-CB 3.39Å; S483-M509 PolarHBondContact O-N 2.93Å; S483-M509 VanDerWaalsContact O-N 3.15Å; Y484-M509 HydrophobicContact CD1-CE 4.3Å; Y484-M509 HydrophobicContact CD2-SD 4.32Å; Y484-M509 HydrophobicContact CG-CE 4.36Å; Y484-M509 HydrophobicContact CG-SD 4.09Å; A507-M509 PolarHBondContact O-N 2.59Å; M509-L511 PolarHBondContact O-N 3.04Å |
| 510 | Y | 95.1 | Very high | 91.8 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 21% | 0.208 | 21% | 0.21 | C | C | . | . | trans | -59.4 | 127.1 | 176.8 | -177.2 | -86.8 | 0 | 0 | 0 | 111.4 | Q480 A507 P508 A518 G519 K520 | Q480-Y510 HydrophobicContact CB-CD2 3.99Å; Q480-Y510 HydrophobicContact CB-CE2 3.89Å; Q480-Y510 HydrophobicContact CG-CE2 4.47Å; A507-Y510 WeakPolarHBondContact O-CB 3.28Å; A507-Y510 PolarHBondContact O-N 3.16Å; P508-Y510 VanDerWaalsContact C-N 3.3Å; Y510-A518 PolarHBondContact O-N 3.06Å; Y510-G519 PolarHBondContact O-N 2.97Å; Y510-K520 HydrophobicContact CD1-CB 3.94Å; Y510-K520 HydrophobicContact CD1-CD 3.96Å; Y510-K520 HydrophobicContact CD2-CB 4.33Å; Y510-K520 HydrophobicContact CD2-CD 3.97Å; Y510-K520 HydrophobicContact CE1-CD 3.86Å; Y510-K520 HydrophobicContact CE2-CD 3.84Å; Y510-K520 HydrophobicContact CG-CB 3.77Å; Y510-K520 HydrophobicContact CG-CD 4.02Å | ||
| 511 | L | 92.5 | Very high | 91.9 | Very high | 69 Ų | 69 | 34.5 Ų | 34.5 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -81.8 | 116.2 | 178.2 | -63.1 | 175.1 | 0 | 0 | 0 | 110.7 | Q480 M509 K516 E517 | Q480-L511 PolarHBondContact NE2-O 3.21Å; Q480-L511 VanDerWaalsContact NE2-O 3.09Å; M509-L511 PolarHBondContact O-N 3.04Å; L511-K516 WeakPolarHBondContact CA-O 3.31Å; L511-E517 HydrophobicContact CD2-CG 4.03Å |
| 512 | G | 85.1 | Confident | 92 | Very high | 22 Ų | 22 | 34 Ų | 34 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | trans | -87.7 | -163.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G514 N515 K516 | G512-G514 PolarHBondContact O-N 2.96Å; G512-N515 PolarHBondContact O-N 2.95Å; G512-K516 PolarHBondContact N-O 2.91Å | ||
| 513 | S | 78.3 | Confident | 92 | Very high | 117 Ų | 117 | 34 Ų | 34 | 82% | 0.818 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 126.3 | 176.2 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 514 | G | 74.3 | Confident | 92 | Very high | 64 Ų | 64 | 35 Ų | 35 | 66% | 0.66 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 14.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | G512 K516 | G512-G514 PolarHBondContact O-N 2.96Å; G514-K516 VanDerWaalsContact C-N 3.32Å; G514-K516 PolarHBondContact O-N 3.44Å |
| 515 | N | 78.7 | Confident | 91.9 | Very high | 142 Ų | 142 | 35.7 Ų | 35.7 | 76% | 0.759 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 59.7 | 37.7 | 178.1 | -61.4 | -16.7 | 0 | 0 | 0 | 113.8 | G512 | G512-N515 PolarHBondContact O-N 2.95Š|
| 516 | K | 83.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | trans | -113.3 | 148.4 | 179.7 | -74.8 | -175.1 | 159.1 | -127 | 0 | 110.9 | L511 G512 G514 A518 Q545 D546 | L511-K516 WeakPolarHBondContact CA-O 3.31Å; G512-K516 PolarHBondContact N-O 2.91Å; G514-K516 VanDerWaalsContact C-N 3.32Å; G514-K516 PolarHBondContact O-N 3.44Å; K516-A518 PolarHBondContact O-N 3.21Å; K516-Q545 HydrophobicContact CD-CB 3.82Å; K516-Q545 HydrophobicContact CD-CG 3.76Å; K516-D546 WeakPolarHBondContact CA-OD1 3.45Å; K516-D546 WeakPolarHBondContact CB-OD1 3.47Å; K516-D546 WeakPolarHBondContact CD-OD2 3.22Å; K516-D546 WeakPolarHBondContact CE-OD2 3.49Å; K516-D546 IonicContact NZ-OD2 2.74Å; K516-D546 PolarHBondContact NZ-OD2 3.02Å | ||
| 517 | E | 87.3 | Confident | 91.3 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -72.4 | 74.7 | -177.1 | -68.1 | -177 | 178 | 0 | 0 | 110.7 | L511 G519 D546 A547 R548 | L511-E517 HydrophobicContact CD2-CG 4.03Å; E517-G519 VanDerWaalsContact C-N 3.33Å; E517-D546 PolarHBondContact N-OD1 3.36Å; E517-D546 CarbonylContact O-C 3.53Å; E517-D546 WeakPolarHBondContact O-CA 3.46Å; E517-A547 PolarHBondContact O-N 2.77Å; E517-R548 HydrophobicContact CB-CG 4.48Å; E517-R548 PolarHBondContact O-N 2.9Å; E517-R548 VanDerWaalsContact O-N 3.16Å; E517-R548 IonicContact OE1-NH2 2.76Å; E517-R548 IonicContact OE2-CZ 3.87Å; E517-R548 VanDerWaalsContact OE2-CZ 3.26Å; E517-R548 IonicContact OE2-NE 3.89Å; E517-R548 PolarHBondContact OE2-NE 2.8Å; E517-R548 IonicContact OE2-NH2 3.72Å; E517-R548 PolarHBondContact OE2-NH2 2.99Å |
| 518 | A | 91.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -67.8 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y510 K516 F549 | Y510-A518 PolarHBondContact O-N 3.06Å; K516-A518 PolarHBondContact O-N 3.21Å; A518-F549 VanDerWaalsContact O-CB 3.29Å; A518-F549 WeakPolarHBondContact O-CB 3.35Å; A518-F549 PolarHBondContact O-N 2.92Å | ||
| 519 | G | 94.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | 77.3 | 159.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A507 P508 Y510 E517 F549 | A507-G519 WeakPolarHBondContact O-CA 3.11Å; P508-G519 WeakPolarHBondContact O-CA 3.39Å; Y510-G519 PolarHBondContact O-N 2.97Å; E517-G519 VanDerWaalsContact C-N 3.33Å; G519-F549 CarbonylContact C-O 3.52Å; G519-F549 WeakPolarHBondContact CA-O 3.37Å |
| 520 | K | 95.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 17% | 0.17 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 140.4 | -176.4 | -170.4 | 167.9 | 171.2 | -162.8 | 0 | 109.9 | E479 A507 Y510 Y522 T537 F549 | E479-K520 IonicContact OE2-NZ 3.39Å; E479-K520 PolarHBondContact OE2-NZ 3Å; A507-K520 PolarHBondContact N-O 3.06Å; A507-K520 PolarHBondContact O-N 3.22Å; A507-K520 VanDerWaalsContact O-N 3.07Å; Y510-K520 HydrophobicContact CD1-CB 3.94Å; Y510-K520 HydrophobicContact CD1-CD 3.96Å; Y510-K520 HydrophobicContact CD2-CB 4.33Å; Y510-K520 HydrophobicContact CD2-CD 3.97Å; Y510-K520 HydrophobicContact CE1-CD 3.86Å; Y510-K520 HydrophobicContact CE2-CD 3.84Å; Y510-K520 HydrophobicContact CG-CB 3.77Å; Y510-K520 HydrophobicContact CG-CD 4.02Å; K520-Y522 HydrophobicContact CB-CE2 4.24Å; K520-Y522 HydrophobicContact CD-CE1 4.19Å; K520-Y522 HydrophobicContact CD-CE2 4Å; K520-Y522 WeakPolarHBondContact CD-OH 3.3Å; K520-Y522 HydrophobicContact CG-CD2 4.38Å; K520-Y522 HydrophobicContact CG-CE2 3.91Å; K520-Y522 PolarHBondContact NZ-OH 3.09Å; K520-Y522 VanDerWaalsContact NZ-OH 3.17Å; K520-T537 HydrophobicContact CD-CG2 4.13Å; K520-T537 HydrophobicContact CG-CG2 3.85Å; K520-F549 PolarHBondContact N-O 2.9Å |
| 521 | V | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.6 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | L504 A506 T537 L538 F549 G550 L553 V569 | L504-V521 HydrophobicContact CB-CG1 4.1Å; L504-V521 HydrophobicContact CD1-CG1 4.45Å; L504-V521 HydrophobicContact CD2-CG1 4.42Å; A506-V521 HydrophobicContact CB-CG2 4.2Å; V521-T537 CarbonylContact O-C 3.56Å; V521-T537 WeakPolarHBondContact O-CA 3.42Å; V521-T537 WeakPolarHBondContact O-CB 3.24Å; V521-L538 HydrophobicContact CB-CB 4.36Å; V521-L538 HydrophobicContact CB-CD1 4.1Å; V521-L538 HydrophobicContact CB-CG 4.43Å; V521-L538 HydrophobicContact CG1-CD1 3.83Å; V521-L538 HydrophobicContact CG1-CG 4.36Å; V521-L538 PolarHBondContact O-N 2.78Å; V521-F549 HydrophobicContact CB-CE1 3.96Å; V521-F549 HydrophobicContact CG2-CD1 3.98Å; V521-F549 HydrophobicContact CG2-CE1 3.61Å; V521-F549 HydrophobicContact CG2-CZ 4.19Å; V521-G550 VanDerWaalsContact CG2-CA 3.45Å; V521-L553 HydrophobicContact CG1-CD1 4.46Å; V521-L553 HydrophobicContact CG1-CD2 4.32Å; V521-L553 HydrophobicContact CG2-CD2 4.26Å; V521-V569 HydrophobicContact CG2-CG1 4.06Å |
| 522 | Y | 98.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139.8 | -179.2 | -63.5 | -99.3 | 0 | 0 | 0 | 110 | E479 Y485 L504 V505 A507 K520 T537 | E479-Y522 PolarHBondContact OE2-OH 2.8Å; Y485-Y522 AromaticContact CD2-CD2 3.7Å; Y485-Y522 HydrophobicContact CD2-CD2 3.7Å; Y485-Y522 AromaticContact CD2-CE2 3.65Å; Y485-Y522 HydrophobicContact CD2-CE2 3.65Å; Y485-Y522 HydrophobicContact CD2-CG 4.46Å; Y485-Y522 AromaticContact CE2-CD2 3.59Å; Y485-Y522 HydrophobicContact CE2-CD2 3.59Å; Y485-Y522 AromaticContact CE2-CE2 3.94Å; Y485-Y522 HydrophobicContact CE2-CE2 3.94Å; Y485-Y522 AromaticContact CE2-CG 3.93Å; Y485-Y522 HydrophobicContact CE2-CG 3.93Å; L504-Y522 WeakPolarHBondContact CA-O 3.42Å; V505-Y522 PolarHBondContact N-O 2.78Å; V505-Y522 WeakPolarHBondContact O-CD2 3.22Å; V505-Y522 PolarHBondContact O-N 2.86Å; A507-Y522 HydrophobicContact CB-CE2 3.89Å; K520-Y522 HydrophobicContact CB-CE2 4.24Å; K520-Y522 HydrophobicContact CD-CE1 4.19Å; K520-Y522 HydrophobicContact CD-CE2 4Å; K520-Y522 WeakPolarHBondContact CD-OH 3.3Å; K520-Y522 HydrophobicContact CG-CD2 4.38Å; K520-Y522 HydrophobicContact CG-CE2 3.91Å; K520-Y522 PolarHBondContact NZ-OH 3.09Å; K520-Y522 VanDerWaalsContact NZ-OH 3.17Å; Y522-T537 HydrophobicContact CD1-CG2 3.83Å; Y522-T537 HydrophobicContact CE1-CG2 4.21Å; Y522-T537 HydrophobicContact CG-CG2 4.18Å |
| 523 | I | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.1 | 178.3 | -54 | 165.5 | 0 | 0 | 0 | 107.2 | V502 L504 N535 G536 L538 I591 | V502-I523 HydrophobicContact CG1-CG2 3.81Å; L504-I523 HydrophobicContact CD2-CB 4.25Å; L504-I523 HydrophobicContact CD2-CG1 3.88Å; L504-I523 HydrophobicContact CD2-CG2 4.29Å; I523-N535 HydrophobicContact CG2-CB 4.18Å; I523-N535 PolarHBondContact O-N 3.3Å; I523-G536 PolarHBondContact N-O 3.3Å; I523-L538 HydrophobicContact CD1-CD2 3.81Å; I523-L538 HydrophobicContact CD1-CG 4.16Å; I523-L538 HydrophobicContact CG1-CD2 4.2Å; I523-L538 HydrophobicContact CG1-CG 4.13Å; I523-I591 HydrophobicContact CD1-CG2 3.82Å; I523-I591 HydrophobicContact CG1-CG2 4.15Å; I523-I591 HydrophobicContact CG2-CG2 3.86Å |
| 524 | Y | 97.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | 168.2 | -62.3 | -98 | 0 | 0 | 0 | 109.9 | L476 Y485 V502 L503 V505 I533 | L476-Y524 HydrophobicContact CD1-CD1 4.03Å; L476-Y524 HydrophobicContact CD1-CD2 4.08Å; L476-Y524 HydrophobicContact CD1-CE1 4.03Å; L476-Y524 HydrophobicContact CD1-CE2 4.06Å; L476-Y524 HydrophobicContact CD1-CG 4.08Å; L476-Y524 HydrophobicContact CD2-CD1 4Å; L476-Y524 HydrophobicContact CD2-CE1 3.76Å; L476-Y524 HydrophobicContact CG-CE1 4.36Å; Y485-Y524 WeakPolarHBondContact OH-CE2 3.43Å; Y485-Y524 VanDerWaalsContact OH-CZ 3.26Å; Y485-Y524 PolarHBondContact OH-OH 2.94Å; V502-Y524 CarbonylContact C-O 3.58Å; V502-Y524 VanDerWaalsContact CA-O 3.31Å; V502-Y524 WeakPolarHBondContact CA-O 3.19Å; L503-Y524 PolarHBondContact N-O 3.42Å; L503-Y524 PolarHBondContact O-N 2.9Å; V505-Y524 HydrophobicContact CB-CE2 4.12Å; V505-Y524 HydrophobicContact CG2-CD2 3.92Å; V505-Y524 HydrophobicContact CG2-CE2 3.85Å; Y524-I533 CarbonylContact C-O 3.54Å; Y524-I533 WeakPolarHBondContact CA-O 3.43Å |
| 525 | T | 96.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.9 | 178.6 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | D501 V502 N527 F532 I533 N535 Y590 | D501-T525 CarbonylContact O-C 3.59Å; D501-T525 WeakPolarHBondContact O-CA 3.48Å; V502-T525 HydrophobicContact CG2-CG2 4.3Å; T525-N527 PolarHBondContact O-N 3.03Å; T525-F532 WeakPolarHBondContact O-CA 3.34Å; T525-I533 PolarHBondContact N-O 2.72Å; T525-I533 WeakPolarHBondContact O-CG1 3.45Å; T525-I533 PolarHBondContact O-N 3.45Å; T525-N535 HydrophobicContact CG2-CB 3.75Å; T525-N535 WeakPolarHBondContact CG2-ND2 3.47Å; T525-Y590 HydrophobicContact CG2-CD1 4.12Å; T525-Y590 HydrophobicContact CG2-CE1 4.46Å |
| 526 | L | 94.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.199 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 129 | 175.2 | -170.2 | 63.7 | 0 | 0 | 0 | 110.5 | I439 I499 D501 F532 | I439-L526 HydrophobicContact CB-CD1 4.33Å; I439-L526 HydrophobicContact CB-CD2 4.26Å; I439-L526 HydrophobicContact CG2-CD1 3.66Å; I439-L526 HydrophobicContact CG2-CD2 4.19Å; I499-L526 HydrophobicContact CG2-CD2 3.72Å; D501-L526 PolarHBondContact O-N 3.48Å; L526-F532 HydrophobicContact CB-CD1 4.45Å; L526-F532 HydrophobicContact CB-CE1 4.07Å; L526-F532 HydrophobicContact CB-CZ 4.42Å; L526-F532 HydrophobicContact CD1-CD2 4.25Å; L526-F532 HydrophobicContact CD1-CE1 4.36Å; L526-F532 HydrophobicContact CD1-CE2 3.96Å; L526-F532 HydrophobicContact CD1-CZ 4.03Å |
| 527 | N | 90.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | trans | -95.6 | 170.2 | 173.9 | 78.8 | -2.1 | 0 | 0 | 0 | 111.4 | T525 E529 G530 K531 I533 | T525-N527 PolarHBondContact O-N 3.03Å; N527-E529 PolarHBondContact O-N 2.76Å; N527-E529 WeakPolarHBondContact OD1-CA 3.17Å; N527-E529 WeakPolarHBondContact OD1-CB 3.28Å; N527-E529 PolarHBondContact OD1-N 3.13Å; N527-G530 PolarHBondContact O-N 3.09Å; N527-G530 PolarHBondContact OD1-N 2.92Å; N527-K531 PolarHBondContact N-O 3.05Å; N527-K531 PolarHBondContact OD1-N 3.42Å; N527-K531 PolarHBondContact OD1-O 3.43Å; N527-I533 HydrophobicContact CB-CD1 4.2Å; N527-I533 HydrophobicContact CB-CG1 4.31Å; N527-I533 HydrophobicContact CB-CG2 4.27Å | ||
| 528 | G | 83.5 | Confident | 93.9 | Very high | 92 Ų | 92 | 40 Ų | 40 | 95% | 0.948 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -4.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 529 | E | 85.1 | Confident | 93.9 | Very high | 157 Ų | 157 | 44 Ų | 44 | 73% | 0.734 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 4.6 | 174.6 | -60.4 | -179.7 | 173.4 | 0 | 0 | 112.5 | N527 | N527-E529 PolarHBondContact O-N 2.76Å; N527-E529 WeakPolarHBondContact OD1-CA 3.17Å; N527-E529 WeakPolarHBondContact OD1-CB 3.28Å; N527-E529 PolarHBondContact OD1-N 3.13Å |
| 530 | G | 85.8 | Confident | 93.4 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 76.2 | 23.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | N527 | N527-G530 PolarHBondContact O-N 3.09Å; N527-G530 PolarHBondContact OD1-N 2.92Å |
| 531 | K | 92.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | trans | -118 | 146.3 | 177.9 | -69.2 | -175.9 | 177.4 | 178.3 | 0 | 111.9 | N527 | N527-K531 PolarHBondContact N-O 3.05Å; N527-K531 PolarHBondContact OD1-N 3.42Å; N527-K531 PolarHBondContact OD1-O 3.43Å | ||
| 532 | F | 95.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.9 | 178.9 | -77.6 | -81.4 | 0 | 0 | 0 | 110.9 | V437 I439 L461 Q474 T500 L503 T525 L526 | V437-F532 HydrophobicContact CB-CE2 4.25Å; V437-F532 HydrophobicContact CB-CZ 4.13Å; V437-F532 HydrophobicContact CG1-CZ 4.33Å; V437-F532 HydrophobicContact CG2-CE2 3.71Å; V437-F532 HydrophobicContact CG2-CZ 4.11Å; I439-F532 HydrophobicContact CG2-CE2 4.05Å; L461-F532 HydrophobicContact CD2-CD2 3.47Å; L461-F532 VanDerWaalsContact CD2-CD2 3.47Å; L461-F532 HydrophobicContact CD2-CE2 3.85Å; L461-F532 HydrophobicContact CD2-CG 4.47Å; Q474-F532 PolarHBondContact NE2-O 3.24Å; T500-F532 HydrophobicContact CG2-CE1 4.4Å; T500-F532 HydrophobicContact CG2-CZ 4.14Å; L503-F532 HydrophobicContact CB-CD1 3.67Å; L503-F532 HydrophobicContact CB-CE1 3.74Å; L503-F532 HydrophobicContact CB-CG 4.23Å; L503-F532 HydrophobicContact CB-CZ 4.35Å; L503-F532 HydrophobicContact CD2-CG 4.48Å; T525-F532 WeakPolarHBondContact O-CA 3.34Å; L526-F532 HydrophobicContact CB-CD1 4.45Å; L526-F532 HydrophobicContact CB-CE1 4.07Å; L526-F532 HydrophobicContact CB-CZ 4.42Å; L526-F532 HydrophobicContact CD1-CD2 4.25Å; L526-F532 HydrophobicContact CD1-CE1 4.36Å; L526-F532 HydrophobicContact CD1-CE2 3.96Å; L526-F532 HydrophobicContact CD1-CZ 4.03Å |
| 533 | I | 95.8 | Very high | 89.4 | Confident | 86 Ų | 86 | 63 Ų | 63 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 144.5 | -179.7 | 59.6 | 168.2 | 0 | 0 | 0 | 111.2 | Y524 T525 N527 N535 | Y524-I533 CarbonylContact C-O 3.54Å; Y524-I533 WeakPolarHBondContact CA-O 3.43Å; T525-I533 PolarHBondContact N-O 2.72Å; T525-I533 WeakPolarHBondContact O-CG1 3.45Å; T525-I533 PolarHBondContact O-N 3.45Å; N527-I533 HydrophobicContact CB-CD1 4.2Å; N527-I533 HydrophobicContact CB-CG1 4.31Å; N527-I533 HydrophobicContact CB-CG2 4.27Å; I533-N535 PolarHBondContact O-N 3.03Å |
| 534 | S | 95.7 | Very high | 87.8 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 53% | 0.531 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.8 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 535 | N | 95.2 | Very high | 86.6 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 30% | 0.299 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 38 | 175.4 | -167.6 | 21.4 | 0 | 0 | 0 | 111 | I523 T525 I533 H593 | I523-N535 HydrophobicContact CG2-CB 4.18Å; I523-N535 PolarHBondContact O-N 3.3Å; T525-N535 HydrophobicContact CG2-CB 3.75Å; T525-N535 WeakPolarHBondContact CG2-ND2 3.47Å; I533-N535 PolarHBondContact O-N 3.03Å; N535-H593 PolarHBondContact O-CE1 3.3Å |
| 536 | G | 95.5 | Very high | 86 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | -149.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I523 | I523-G536 PolarHBondContact N-O 3.3Å |
| 537 | T | 96.3 | Very high | 85.8 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153 | -173 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | K520 V521 Y522 | K520-T537 HydrophobicContact CD-CG2 4.13Å; K520-T537 HydrophobicContact CG-CG2 3.85Å; V521-T537 CarbonylContact O-C 3.56Å; V521-T537 WeakPolarHBondContact O-CA 3.42Å; V521-T537 WeakPolarHBondContact O-CB 3.24Å; Y522-T537 HydrophobicContact CD1-CG2 3.83Å; Y522-T537 HydrophobicContact CE1-CG2 4.21Å; Y522-T537 HydrophobicContact CG-CG2 4.18Å |
| 538 | L | 96.1 | Very high | 86 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | trans | -64.7 | 138.9 | 169 | -63.8 | 177.4 | 0 | 0 | 0 | 110.1 | L504 V521 I523 F549 V569 Y584 I591 | L504-L538 HydrophobicContact CD1-CD1 4.18Å; V521-L538 HydrophobicContact CB-CB 4.36Å; V521-L538 HydrophobicContact CB-CD1 4.1Å; V521-L538 HydrophobicContact CB-CG 4.43Å; V521-L538 HydrophobicContact CG1-CD1 3.83Å; V521-L538 HydrophobicContact CG1-CG 4.36Å; V521-L538 PolarHBondContact O-N 2.78Å; I523-L538 HydrophobicContact CD1-CD2 3.81Å; I523-L538 HydrophobicContact CD1-CG 4.16Å; I523-L538 HydrophobicContact CG1-CD2 4.2Å; I523-L538 HydrophobicContact CG1-CG 4.13Å; L538-F549 HydrophobicContact CB-CE1 4.14Å; L538-F549 HydrophobicContact CB-CZ 4.03Å; L538-V569 HydrophobicContact CD1-CG2 3.85Å; L538-Y584 HydrophobicContact CB-CE1 3.99Å; L538-Y584 HydrophobicContact CB-CE2 4.45Å; L538-Y584 HydrophobicContact CD1-CD2 4.1Å; L538-Y584 HydrophobicContact CD1-CE2 4.08Å; L538-Y584 HydrophobicContact CD1-CG 4.4Å; L538-Y584 HydrophobicContact CD2-CD1 3.76Å; L538-Y584 HydrophobicContact CD2-CE1 4.03Å; L538-Y584 HydrophobicContact CD2-CG 4.04Å; L538-Y584 HydrophobicContact CG-CE1 4.45Å; L538-I591 HydrophobicContact CD2-CD1 4.12Å; L538-I591 HydrophobicContact CD2-CG1 4.34Å; L538-I591 HydrophobicContact CD2-CG2 4.15Å | ||
| 539 | K | 91.4 | Very high | 86.7 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -91.8 | 111.7 | -178.5 | -64.1 | 174.7 | -175 | 165.6 | 0 | 111 | Y584 H593 D594 | K539-Y584 PolarHBondContact O-OH 2.93Å; K539-H593 WeakPolarHBondContact CB-O 3.38Å; K539-H593 PolarHBondContact N-O 3.19Å; K539-D594 VanDerWaalsContact CD-OD1 3.28Å; K539-D594 WeakPolarHBondContact CD-OD1 3.37Å; K539-D594 VanDerWaalsContact NZ-CG 3.31Å; K539-D594 IonicContact NZ-OD1 3.54Å; K539-D594 PolarHBondContact NZ-OD1 3.19Å; K539-D594 VanDerWaalsContact NZ-OD1 3.11Å; K539-D594 IonicContact NZ-OD2 3.67Å; K539-D594 PolarHBondContact NZ-OD2 2.81Å |
| 540 | S | 84.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | trans | -75.7 | 174.2 | 166.5 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 541 | D | 75.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -68.1 | 139.9 | 173.1 | -170.5 | 12.9 | 0 | 0 | 0 | 110.8 | K543 S544 | D541-K543 PolarHBondContact O-N 3.29Å; D541-S544 PolarHBondContact O-N 2.78Å; D541-S544 PolarHBondContact O-OG 3Å | ||
| 542 | N | 64.6 | Low | 88 | Confident | 166 Ų | 166 | 56.3 Ų | 56.3 | 89% | 0.888 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.2 | -176.3 | -72.7 | -36.4 | 0 | 0 | 0 | 113.3 | ||
| 543 | K | 66.4 | Low | 88.1 | Confident | 178 Ų | 178 | 57 Ų | 57 | 77% | 0.774 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.3 | -179.6 | -65.8 | -179.1 | -177.7 | 175.2 | 0 | 113.7 | D541 Q545 | D541-K543 PolarHBondContact O-N 3.29Å; K543-Q545 PolarHBondContact O-N 3.2Å; K543-Q545 VanDerWaalsContact O-N 3.1Å |
| 544 | S | 63.8 | Low | 88.1 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | trans | -69.9 | 108.7 | -175.4 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | D541 E574 | D541-S544 PolarHBondContact O-N 2.78Å; D541-S544 PolarHBondContact O-OG 3Å; S544-E574 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 545 | Q | 73.2 | Confident | 88.1 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | trans | -106.4 | 139.2 | 176 | -79.2 | -165.4 | -2.2 | 0 | 0 | 109.1 | K516 K543 A547 | K516-Q545 HydrophobicContact CD-CB 3.82Å; K516-Q545 HydrophobicContact CD-CG 3.76Å; K543-Q545 PolarHBondContact O-N 3.2Å; K543-Q545 VanDerWaalsContact O-N 3.1Å; Q545-A547 PolarHBondContact O-N 2.6Å | ||
| 546 | D | 83.6 | Confident | 88 | Confident | 54 Ų | 54 | 49 Ų | 49 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 53.3 | 36.4 | 178.2 | -56.1 | -52.3 | 0 | 0 | 0 | 112.6 | K516 E517 L573 | K516-D546 WeakPolarHBondContact CA-OD1 3.45Å; K516-D546 WeakPolarHBondContact CB-OD1 3.47Å; K516-D546 WeakPolarHBondContact CD-OD2 3.22Å; K516-D546 WeakPolarHBondContact CE-OD2 3.49Å; K516-D546 IonicContact NZ-OD2 2.74Å; K516-D546 PolarHBondContact NZ-OD2 3.02Å; E517-D546 PolarHBondContact N-OD1 3.36Å; E517-D546 CarbonylContact O-C 3.53Å; E517-D546 WeakPolarHBondContact O-CA 3.46Å; D546-L573 CarbonylContact O-C 3.49Å; D546-L573 WeakPolarHBondContact O-CB 3.44Å |
| 547 | A | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -83.9 | -25.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E517 Q545 F549 A571 L573 E574 | E517-A547 PolarHBondContact O-N 2.77Å; Q545-A547 PolarHBondContact O-N 2.6Å; A547-F549 VanDerWaalsContact C-N 3.28Å; A547-F549 PolarHBondContact O-N 2.82Å; A547-A571 HydrophobicContact CB-CB 4.37Å; A547-A571 CarbonylContact O-C 3.47Å; A547-A571 WeakPolarHBondContact O-CA 3.16Å; A547-L573 PolarHBondContact O-N 3.17Å; A547-L573 VanDerWaalsContact O-N 3.17Å; A547-E574 HydrophobicContact CB-CB 3.78Å; A547-E574 HydrophobicContact CB-CG 4.07Å | ||
| 548 | R | 94.6 | Very high | 87.6 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | trans | 49.4 | 47.4 | -166.8 | -64.2 | -169.3 | 179.7 | 178.4 | -2.8 | 113.4 | P508 E517 G550 Y551 L573 | P508-R548 HydrophobicContact CB-CB 4.2Å; P508-R548 VanDerWaalsContact O-CA 3.26Å; P508-R548 WeakPolarHBondContact O-CA 3.19Å; E517-R548 HydrophobicContact CB-CG 4.48Å; E517-R548 PolarHBondContact O-N 2.9Å; E517-R548 VanDerWaalsContact O-N 3.16Å; E517-R548 IonicContact OE1-NH2 2.76Å; E517-R548 IonicContact OE2-CZ 3.87Å; E517-R548 VanDerWaalsContact OE2-CZ 3.26Å; E517-R548 IonicContact OE2-NE 3.89Å; E517-R548 PolarHBondContact OE2-NE 2.8Å; E517-R548 IonicContact OE2-NH2 3.72Å; E517-R548 PolarHBondContact OE2-NH2 2.99Å; R548-G550 PolarHBondContact O-N 2.72Å; R548-Y551 WeakPolarHBondContact O-CB 2.97Å; R548-Y551 PolarHBondContact O-N 3.09Å; R548-Y551 VanDerWaalsContact O-N 3.12Å; R548-L573 HydrophobicContact CB-CG 4.29Å; R548-L573 VanDerWaalsContact CD-CD1 3.44Å; R548-L573 HydrophobicContact CG-CB 4.36Å; R548-L573 HydrophobicContact CG-CD1 3.8Å; R548-L573 HydrophobicContact CG-CG 3.99Å; R548-L573 VanDerWaalsContact NE-CD1 3.34Å | ||
| 549 | F | 96.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -57.5 | 126.9 | 175.8 | 176 | -104.2 | 0 | 0 | 0 | 111.3 | A518 G519 K520 V521 L538 A547 V569 A571 Y582 Y584 | A518-F549 VanDerWaalsContact O-CB 3.29Å; A518-F549 WeakPolarHBondContact O-CB 3.35Å; A518-F549 PolarHBondContact O-N 2.92Å; G519-F549 CarbonylContact C-O 3.52Å; G519-F549 WeakPolarHBondContact CA-O 3.37Å; K520-F549 PolarHBondContact N-O 2.9Å; V521-F549 HydrophobicContact CB-CE1 3.96Å; V521-F549 HydrophobicContact CG2-CD1 3.98Å; V521-F549 HydrophobicContact CG2-CE1 3.61Å; V521-F549 HydrophobicContact CG2-CZ 4.19Å; L538-F549 HydrophobicContact CB-CE1 4.14Å; L538-F549 HydrophobicContact CB-CZ 4.03Å; A547-F549 VanDerWaalsContact C-N 3.28Å; A547-F549 PolarHBondContact O-N 2.82Å; F549-V569 HydrophobicContact CD2-CG1 3.81Å; F549-V569 HydrophobicContact CE1-CG1 4.36Å; F549-V569 HydrophobicContact CE2-CB 3.77Å; F549-V569 HydrophobicContact CE2-CG1 3.37Å; F549-V569 HydrophobicContact CE2-CG2 4.43Å; F549-V569 HydrophobicContact CG-CG1 4.45Å; F549-V569 HydrophobicContact CZ-CB 4.13Å; F549-V569 HydrophobicContact CZ-CG1 3.67Å; F549-V569 HydrophobicContact CZ-CG2 4.31Å; F549-A571 HydrophobicContact CB-CB 4.36Å; F549-A571 HydrophobicContact CD2-CB 4.4Å; F549-Y582 AromaticContact CD2-CD2 3.75Å; F549-Y582 HydrophobicContact CD2-CD2 3.75Å; F549-Y582 AromaticContact CD2-CE2 3.81Å; F549-Y582 HydrophobicContact CD2-CE2 3.81Å; F549-Y582 HydrophobicContact CD2-CG 4.25Å; F549-Y582 HydrophobicContact CE2-CD1 4.23Å; F549-Y582 AromaticContact CE2-CD2 3.71Å; F549-Y582 HydrophobicContact CE2-CD2 3.71Å; F549-Y582 HydrophobicContact CE2-CE2 4.17Å; F549-Y582 AromaticContact CE2-CG 3.76Å; F549-Y582 HydrophobicContact CE2-CG 3.76Å; F549-Y584 HydrophobicContact CE2-CE2 4.26Å; F549-Y584 WeakPolarHBondContact CE2-OH 3.48Å; F549-Y584 HydrophobicContact CZ-CE2 4.06Å; F549-Y584 AromaticContact CZ-CZ 3.95Å; F549-Y584 WeakPolarHBondContact CZ-OH 3.18Å |
| 550 | G | 96.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 16.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A506 V521 R548 S552 G570 | A506-G550 WeakPolarHBondContact CB-O 3.44Å; V521-G550 VanDerWaalsContact CG2-CA 3.45Å; R548-G550 PolarHBondContact O-N 2.72Å; G550-S552 VanDerWaalsContact C-N 3.28Å; G550-S552 PolarHBondContact O-N 3.43Å; G550-G570 PolarHBondContact N-O 2.9Å |
| 551 | Y | 97.3 | Very high | 87.6 | Confident | 87 Ų | 87 | 44 Ų | 44 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -65.8 | -33.4 | 176.7 | -173.2 | -88.9 | 0 | 0 | 0 | 112.4 | R548 G570 P572 R613 | R548-Y551 WeakPolarHBondContact O-CB 2.97Å; R548-Y551 PolarHBondContact O-N 3.09Å; R548-Y551 VanDerWaalsContact O-N 3.12Å; Y551-G570 PolarHBondContact N-O 3.18Å; Y551-P572 VanDerWaalsContact CB-CD 3.41Å; Y551-P572 HydrophobicContact CD1-CG 3.73Å; Y551-P572 HydrophobicContact CD2-CG 4.13Å; Y551-P572 HydrophobicContact CE1-CG 4.38Å; Y551-P572 HydrophobicContact CG-CG 3.57Å; Y551-R613 HydrophobicContact CD1-CB 4.4Å; Y551-R613 WeakPolarHBondContact CD1-O 3.29Å; Y551-R613 HydrophobicContact CE1-CB 4.08Å; Y551-R613 VanDerWaalsContact CE1-O 3.27Å; Y551-R613 WeakPolarHBondContact CE1-O 3.34Å |
| 552 | S | 97.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.3 | 173.3 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | G550 G570 G612 | G550-S552 VanDerWaalsContact C-N 3.28Å; G550-S552 PolarHBondContact O-N 3.43Å; S552-G570 PolarHBondContact O-N 3.07Å; S552-G612 PolarHBondContact OG-O 3.29Å |
| 553 | L | 97.6 | Very high | 89.6 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.6 | 176.4 | -63.7 | 176.7 | 0 | 0 | 0 | 109.8 | E488 C490 L504 A506 V521 V569 | E488-L553 HydrophobicContact CB-CD1 4.33Å; E488-L553 HydrophobicContact CB-CG 4.41Å; E488-L553 HydrophobicContact CG-CB 3.77Å; E488-L553 HydrophobicContact CG-CD1 3.83Å; E488-L553 HydrophobicContact CG-CG 3.59Å; E488-L553 PolarHBondContact OE1-N 2.91Å; E488-L553 VanDerWaalsContact OE1-N 3.13Å; C490-L553 HydrophobicContact CB-CB 3.93Å; C490-L553 HydrophobicContact CB-CD1 3.93Å; L504-L553 HydrophobicContact CB-CD1 4.02Å; A506-L553 HydrophobicContact CB-CD1 4.29Å; V521-L553 HydrophobicContact CG1-CD1 4.46Å; V521-L553 HydrophobicContact CG1-CD2 4.32Å; V521-L553 HydrophobicContact CG2-CD2 4.26Å; L553-V569 HydrophobicContact CD2-CB 4.08Å; L553-V569 HydrophobicContact CD2-CG1 3.76Å; L553-V569 HydrophobicContact CD2-CG2 3.64Å |
| 554 | A | 96.1 | Very high | 91 | Very high | 10 Ų | 10 | 30 Ų | 30 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V567 V568 V615 A617 | A554-V567 WeakPolarHBondContact O-CA 3.31Å; A554-V568 PolarHBondContact N-O 2.98Å; A554-V568 PolarHBondContact O-N 2.85Å; A554-V615 HydrophobicContact CB-CB 4.08Å; A554-V615 HydrophobicContact CB-CG1 3.78Å; A554-A617 HydrophobicContact CB-CB 4.47Å |
| 555 | A | 95.1 | Very high | 92.5 | Very high | 40 Ų | 40 | 30 Ų | 30 | 33% | 0.331 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | L492 T565 | L492-A555 HydrophobicContact CD2-CB 3.5Å; A555-T565 HydrophobicContact CB-CG2 4.48Å |
| 556 | A | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109 | D558 L559 T565 D566 V568 A617 | A556-D558 PolarHBondContact O-N 3.25Å; A556-L559 HydrophobicContact CB-CD1 3.8Å; A556-L559 HydrophobicContact CB-CD2 4.14Å; A556-L559 HydrophobicContact CB-CG 3.79Å; A556-T565 WeakPolarHBondContact O-CG2 3.48Å; A556-D566 HydrophobicContact CB-CB 4.18Å; A556-D566 PolarHBondContact N-O 3.24Å; A556-D566 PolarHBondContact O-N 2.79Å; A556-V568 HydrophobicContact CB-CG2 4.45Å; A556-A617 WeakPolarHBondContact CA-O 3.2Å; A556-A617 HydrophobicContact CB-CB 3.76Å |
| 557 | P | 90.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 22.3 Ų | 22.3 | 33% | 0.331 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -50.9 | -49.6 | -168.3 | -31.1 | 32.9 | 0 | 0 | 0 | 116.2 | K496 T565 A617 | K496-P557 WeakPolarHBondContact CE-O 3.41Å; K496-P557 PolarHBondContact NZ-O 2.96Å; P557-T565 VanDerWaalsContact O-CA 3.25Å; P557-T565 WeakPolarHBondContact O-CA 3.37Å; P557-T565 PolarHBondContact O-OG1 3.2Å; P557-A617 WeakPolarHBondContact CD-O 3.23Å |
| 558 | D | 92.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 22.3 Ų | 22.3 | 12% | 0.118 | 13% | 0.125 | C | C | . | . | trans | -175.7 | 93.2 | 177.4 | -175.9 | -4.4 | 0 | 0 | 0 | 108.6 | A556 N560 H561 D562 G563 F564 | A556-D558 PolarHBondContact O-N 3.25Å; D558-N560 PolarHBondContact OD1-N 2.84Å; D558-N560 PolarHBondContact OD1-OD1 2.89Å; D558-H561 WeakPolarHBondContact OD1-CA 3.35Å; D558-H561 PolarHBondContact OD1-N 3.25Å; D558-H561 VanDerWaalsContact OD2-CA 3.23Å; D558-H561 WeakPolarHBondContact OD2-CA 3.47Å; D558-D562 PolarHBondContact OD1-N 2.86Å; D558-D562 PolarHBondContact OD2-N 2.85Å; D558-G563 WeakPolarHBondContact OD2-CA 3.25Å; D558-G563 PolarHBondContact OD2-N 2.9Å; D558-F564 WeakPolarHBondContact CA-O 3.41Å; D558-F564 WeakPolarHBondContact CB-O 3.34Å | ||
| 559 | L | 92.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -79.6 | -27.9 | -177.2 | -61.3 | 170.5 | 0 | 0 | 0 | 111.5 | F23 N24 I25 A556 D566 V568 V583 I627 L629 | F23-L559 HydrophobicContact CE1-CB 3.96Å; F23-L559 HydrophobicContact CZ-CB 4.22Å; N24-L559 PolarHBondContact ND2-O 2.86Å; I25-L559 HydrophobicContact CD1-CD2 4.37Å; A556-L559 HydrophobicContact CB-CD1 3.8Å; A556-L559 HydrophobicContact CB-CD2 4.14Å; A556-L559 HydrophobicContact CB-CG 3.79Å; L559-D566 WeakPolarHBondContact CA-OD2 3.16Å; L559-D566 VanDerWaalsContact CB-OD2 3.22Å; L559-D566 WeakPolarHBondContact CB-OD2 3.38Å; L559-D566 HydrophobicContact CD1-CB 4.18Å; L559-D566 HydrophobicContact CG-CB 4.23Å; L559-D566 PolarHBondContact N-OD2 2.95Å; L559-V568 HydrophobicContact CD1-CG2 4.24Å; L559-V583 HydrophobicContact CD1-CG1 3.77Å; L559-I627 HydrophobicContact CD2-CB 4.17Å; L559-I627 HydrophobicContact CD2-CG2 4.09Å; L559-L629 HydrophobicContact CD1-CD2 4.41Å; L559-L629 HydrophobicContact CD2-CD2 4.14Å |
| 560 | N | 90.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 6% | 0.059 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -97.9 | -2.6 | -177.7 | 73.1 | 3.3 | 0 | 0 | 0 | 114.3 | F23 D558 D562 D566 I645 R687 | F23-N560 HydrophobicContact CE2-CB 3.52Å; F23-N560 HydrophobicContact CZ-CB 3.43Å; F23-N560 VanDerWaalsContact CZ-CB 3.43Å; D558-N560 PolarHBondContact OD1-N 2.84Å; D558-N560 PolarHBondContact OD1-OD1 2.89Å; N560-D562 VanDerWaalsContact C-N 3.35Å; N560-D562 VanDerWaalsContact CG-CG 3.47Å; N560-D562 VanDerWaalsContact ND2-CG 3.31Å; N560-D562 PolarHBondContact ND2-OD2 3.27Å; N560-D562 WeakPolarHBondContact OD1-CB 3.4Å; N560-D562 PolarHBondContact OD1-N 3.34Å; N560-D562 PolarHBondContact OD1-OD1 3Å; N560-D562 VanDerWaalsContact OD1-OD1 3.06Å; N560-D562 PolarHBondContact OD1-OD2 2.87Å; N560-D566 PolarHBondContact N-OD2 2.74Å; N560-I645 HydrophobicContact CB-CD1 4.2Å; N560-I645 WeakPolarHBondContact O-CD1 3.35Å; N560-R687 VanDerWaalsContact O-CD 3.31Å; N560-R687 WeakPolarHBondContact O-CD 3.17Å; N560-R687 PolarHBondContact O-NE 2.83Å |
| 561 | H | 90 | Very high | 94.8 | Very high | 32 Ų | 32 | 19.3 Ų | 19.3 | 15% | 0.148 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 56.7 | 43.3 | -176.2 | -53.2 | -64.8 | 0 | 0 | 0 | 113.1 | D558 L626 R687 S688 P689 | D558-H561 WeakPolarHBondContact OD1-CA 3.35Å; D558-H561 PolarHBondContact OD1-N 3.25Å; D558-H561 VanDerWaalsContact OD2-CA 3.23Å; D558-H561 WeakPolarHBondContact OD2-CA 3.47Å; H561-L626 WeakPolarHBondContact NE2-CD2 3.37Å; H561-R687 HydrophobicContact CB-CG 4.17Å; H561-R687 WeakPolarHBondContact O-CG 3.41Å; H561-R687 PolarHBondContact O-NE 2.94Å; H561-S688 PolarHBondContact CD2-OG 2.87Å; H561-P689 VanDerWaalsContact CE1-CD 3.44Å; H561-P689 WeakPolarHBondContact CE1-CD 3.31Å; H561-P689 WeakPolarHBondContact ND1-CD 3.4Å |
| 562 | D | 89.9 | Confident | 94.8 | Very high | 37 Ų | 37 | 15.3 Ų | 15.3 | 20% | 0.198 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -97.6 | -5.5 | 175.9 | 76.4 | 4.6 | 0 | 0 | 0 | 115.1 | D558 N560 F564 | D558-D562 PolarHBondContact OD1-N 2.86Å; D558-D562 PolarHBondContact OD2-N 2.85Å; N560-D562 VanDerWaalsContact C-N 3.35Å; N560-D562 VanDerWaalsContact CG-CG 3.47Å; N560-D562 VanDerWaalsContact ND2-CG 3.31Å; N560-D562 PolarHBondContact ND2-OD2 3.27Å; N560-D562 WeakPolarHBondContact OD1-CB 3.4Å; N560-D562 PolarHBondContact OD1-N 3.34Å; N560-D562 PolarHBondContact OD1-OD1 3Å; N560-D562 VanDerWaalsContact OD1-OD1 3.06Å; N560-D562 PolarHBondContact OD1-OD2 2.87Å; D562-F564 HydrophobicContact CB-CD2 4.45Å; D562-F564 WeakPolarHBondContact OD1-CA 3.09Å; D562-F564 VanDerWaalsContact OD1-CB 3.31Å; D562-F564 WeakPolarHBondContact OD1-CB 3.36Å; D562-F564 VanDerWaalsContact OD1-CD2 3.32Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.44Å; D562-F564 PolarHBondContact OD1-N 3.34Å |
| 563 | G | 91.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 16 Ų | 16 | 38% | 0.381 | 10% | 0.102 | S | C | . | . | S | Bend | trans | 101.7 | -20.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K496 D558 | K496-G563 PolarHBondContact NZ-O 2.81Å; D558-G563 WeakPolarHBondContact OD2-CA 3.25Å; D558-G563 PolarHBondContact OD2-N 2.9Å |
| 564 | F | 95.8 | Very high | 94.5 | Very high | 44 Ų | 44 | 15.8 Ų | 15.8 | 19% | 0.193 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -99 | 156.8 | -171.9 | -56.4 | -70.9 | 0 | 0 | 0 | 112.9 | I494 D495 D558 D562 Y587 D588 | I494-F564 HydrophobicContact CG2-CB 3.95Å; I494-F564 HydrophobicContact CG2-CD1 4.14Å; I494-F564 HydrophobicContact CG2-CG 4.4Å; I494-F564 CarbonylContact O-C 3.4Å; I494-F564 WeakPolarHBondContact O-CA 3.29Å; D495-F564 HydrophobicContact CB-CD1 4.25Å; D495-F564 HydrophobicContact CB-CE1 4.15Å; D558-F564 WeakPolarHBondContact CA-O 3.41Å; D558-F564 WeakPolarHBondContact CB-O 3.34Å; D562-F564 HydrophobicContact CB-CD2 4.45Å; D562-F564 WeakPolarHBondContact OD1-CA 3.09Å; D562-F564 VanDerWaalsContact OD1-CB 3.31Å; D562-F564 WeakPolarHBondContact OD1-CB 3.36Å; D562-F564 VanDerWaalsContact OD1-CD2 3.32Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.44Å; D562-F564 PolarHBondContact OD1-N 3.34Å; F564-Y587 HydrophobicContact CE2-CD2 4.35Å; F564-D588 VanDerWaalsContact CD1-O 3.31Å; F564-D588 WeakPolarHBondContact CD1-O 3.39Å; F564-D588 WeakPolarHBondContact CE1-O 3.32Å; F564-D588 VanDerWaalsContact CZ-N 3.34Å |
| 565 | T | 96.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 8% | 0.08 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -81.9 | 134.5 | 176 | -72.6 | 0 | 0 | 0 | 0 | 112.5 | L492 D493 I494 K496 A555 A556 P557 G586 | L492-T565 HydrophobicContact CD2-CG2 4.33Å; D493-T565 WeakPolarHBondContact O-CB 3.49Å; D493-T565 PolarHBondContact O-OG1 3.15Å; I494-T565 PolarHBondContact O-N 3.13Å; K496-T565 WeakPolarHBondContact CE-OG1 3.44Å; A555-T565 HydrophobicContact CB-CG2 4.48Å; A556-T565 WeakPolarHBondContact O-CG2 3.48Å; P557-T565 VanDerWaalsContact O-CA 3.25Å; P557-T565 WeakPolarHBondContact O-CA 3.37Å; P557-T565 PolarHBondContact O-OG1 3.2Å; T565-G586 VanDerWaalsContact O-CA 3.25Å; T565-G586 WeakPolarHBondContact O-CA 3.38Å; T565-G586 PolarHBondContact O-N 2.8Å |
| 566 | D | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 171.4 | -178 | -68.1 | -32 | 0 | 0 | 0 | 111.1 | A556 L559 N560 Y584 H585 G586 | A556-D566 HydrophobicContact CB-CB 4.18Å; A556-D566 PolarHBondContact N-O 3.24Å; A556-D566 PolarHBondContact O-N 2.79Å; L559-D566 WeakPolarHBondContact CA-OD2 3.16Å; L559-D566 VanDerWaalsContact CB-OD2 3.22Å; L559-D566 WeakPolarHBondContact CB-OD2 3.38Å; L559-D566 HydrophobicContact CD1-CB 4.18Å; L559-D566 HydrophobicContact CG-CB 4.23Å; L559-D566 PolarHBondContact N-OD2 2.95Å; N560-D566 PolarHBondContact N-OD2 2.74Å; D566-Y584 WeakPolarHBondContact CA-O 3.45Å; D566-Y584 WeakPolarHBondContact CB-O 3.49Å; D566-H585 WeakPolarHBondContact OD1-CA 3.28Å; D566-H585 IonicContact OD1-CG 2.69Å; D566-H585 IonicContact OD1-ND1 3.74Å; D566-H585 PolarHBondContact OD1-ND1 2.91Å; D566-H585 IonicContact OD2-CE1 3.63Å; D566-H585 IonicContact OD2-ND1 2.97Å; D566-H585 PolarHBondContact OD2-ND1 3.1Å; D566-G586 PolarHBondContact OD1-N 3.35Å; D566-G586 VanDerWaalsContact OD1-N 3.07Å |
| 567 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.3 | 178.9 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | L492 L504 A554 V569 V583 Y584 I591 | L492-V567 HydrophobicContact CD1-CG2 3.34Å; L492-V567 HydrophobicContact CD2-CG2 3.61Å; L492-V567 HydrophobicContact CG-CG2 4.11Å; L504-V567 HydrophobicContact CD1-CB 4.49Å; L504-V567 HydrophobicContact CD1-CG1 3.85Å; L504-V567 HydrophobicContact CD1-CG2 4.01Å; A554-V567 WeakPolarHBondContact O-CA 3.31Å; V567-V569 HydrophobicContact CG1-CG2 3.78Å; V567-V583 WeakPolarHBondContact O-CA 3.31Å; V567-Y584 PolarHBondContact N-O 3.42Å; V567-Y584 PolarHBondContact O-N 3.15Å; V567-I591 HydrophobicContact CB-CD1 3.84Å; V567-I591 HydrophobicContact CG2-CD1 3.64Å |
| 568 | V | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 167.7 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | A554 A556 L559 I581 Y582 V583 V615 L629 | A554-V568 PolarHBondContact N-O 2.98Å; A554-V568 PolarHBondContact O-N 2.85Å; A556-V568 HydrophobicContact CB-CG2 4.45Å; L559-V568 HydrophobicContact CD1-CG2 4.24Å; V568-I581 HydrophobicContact CG1-CB 4.12Å; V568-I581 HydrophobicContact CG1-CD1 4.13Å; V568-Y582 CarbonylContact C-O 3.07Å; V568-Y582 VanDerWaalsContact CA-O 3.29Å; V568-Y582 WeakPolarHBondContact CA-O 3.09Å; V568-V583 HydrophobicContact CG2-CG2 4.41Å; V568-V615 HydrophobicContact CB-CG1 4.02Å; V568-V615 HydrophobicContact CG1-CG1 3.8Å; V568-L629 HydrophobicContact CG2-CD1 4.18Å; V568-L629 HydrophobicContact CG2-CD2 3.9Å |
| 569 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.9 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | V521 L538 F549 L553 V567 I581 Y582 Y584 | V521-V569 HydrophobicContact CG2-CG1 4.06Å; L538-V569 HydrophobicContact CD1-CG2 3.85Å; F549-V569 HydrophobicContact CD2-CG1 3.81Å; F549-V569 HydrophobicContact CE1-CG1 4.36Å; F549-V569 HydrophobicContact CE2-CB 3.77Å; F549-V569 HydrophobicContact CE2-CG1 3.37Å; F549-V569 HydrophobicContact CE2-CG2 4.43Å; F549-V569 HydrophobicContact CG-CG1 4.45Å; F549-V569 HydrophobicContact CZ-CB 4.13Å; F549-V569 HydrophobicContact CZ-CG1 3.67Å; F549-V569 HydrophobicContact CZ-CG2 4.31Å; L553-V569 HydrophobicContact CD2-CB 4.08Å; L553-V569 HydrophobicContact CD2-CG1 3.76Å; L553-V569 HydrophobicContact CD2-CG2 3.64Å; V567-V569 HydrophobicContact CG1-CG2 3.78Å; V569-I581 CarbonylContact O-C 3.47Å; V569-I581 WeakPolarHBondContact O-CA 3.42Å; V569-Y582 PolarHBondContact N-O 2.96Å; V569-Y582 PolarHBondContact O-N 3.16Å; V569-Y584 HydrophobicContact CB-CE2 4.2Å; V569-Y584 HydrophobicContact CG2-CD2 3.88Å; V569-Y584 HydrophobicContact CG2-CE2 3.7Å |
| 570 | G | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G550 Y551 S552 G612 | G550-G570 PolarHBondContact N-O 2.9Å; Y551-G570 PolarHBondContact N-O 3.18Å; S552-G570 PolarHBondContact O-N 3.07Å; G570-G612 WeakPolarHBondContact CA-O 3.18Å |
| 571 | A | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 71.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A547 F549 L573 E574 G579 A580 Y582 | A547-A571 HydrophobicContact CB-CB 4.37Å; A547-A571 CarbonylContact O-C 3.47Å; A547-A571 WeakPolarHBondContact O-CA 3.16Å; F549-A571 HydrophobicContact CB-CB 4.36Å; F549-A571 HydrophobicContact CD2-CB 4.4Å; A571-L573 PolarHBondContact O-N 3.19Å; A571-L573 VanDerWaalsContact O-N 3.13Å; A571-E574 HydrophobicContact CB-CB 4.25Å; A571-E574 WeakPolarHBondContact O-CB 3.43Å; A571-E574 PolarHBondContact O-N 2.91Å; A571-G579 WeakPolarHBondContact O-CA 3.47Å; A571-A580 PolarHBondContact N-O 3.44Å; A571-A580 PolarHBondContact O-N 3.31Å; A571-Y582 HydrophobicContact CB-CD2 4.32Å; A571-Y582 HydrophobicContact CB-CE2 3.77Å |
| 572 | P | 96.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.5 | -168.1 | 25.4 | -34.9 | 0 | 0 | 0 | 114.5 | Y551 G579 Y610 F611 R613 | Y551-P572 VanDerWaalsContact CB-CD 3.41Å; Y551-P572 HydrophobicContact CD1-CG 3.73Å; Y551-P572 HydrophobicContact CD2-CG 4.13Å; Y551-P572 HydrophobicContact CE1-CG 4.38Å; Y551-P572 HydrophobicContact CG-CG 3.57Å; P572-G579 WeakPolarHBondContact O-CA 3.23Å; P572-G579 PolarHBondContact O-N 3.49Å; P572-Y610 VanDerWaalsContact O-CA 3.31Å; P572-Y610 WeakPolarHBondContact O-CA 3.4Å; P572-F611 WeakPolarHBondContact CA-O 3.42Å; P572-R613 HydrophobicContact CB-CB 4.05Å; P572-R613 HydrophobicContact CG-CB 4.44Å |
| 573 | L | 94.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -4.1 | -178.2 | -57.7 | -156.8 | 0 | 0 | 0 | 113.4 | D546 A547 R548 A571 H577 Y610 | D546-L573 CarbonylContact O-C 3.49Å; D546-L573 WeakPolarHBondContact O-CB 3.44Å; A547-L573 PolarHBondContact O-N 3.17Å; A547-L573 VanDerWaalsContact O-N 3.17Å; R548-L573 HydrophobicContact CB-CG 4.29Å; R548-L573 VanDerWaalsContact CD-CD1 3.44Å; R548-L573 HydrophobicContact CG-CB 4.36Å; R548-L573 HydrophobicContact CG-CD1 3.8Å; R548-L573 HydrophobicContact CG-CG 3.99Å; R548-L573 VanDerWaalsContact NE-CD1 3.34Å; A571-L573 PolarHBondContact O-N 3.19Å; A571-L573 VanDerWaalsContact O-N 3.13Å; L573-H577 PolarHBondContact O-N 3Å; L573-Y610 HydrophobicContact CD2-CD1 3.36Å; L573-Y610 HydrophobicContact CD2-CE1 3.35Å; L573-Y610 HydrophobicContact CD2-CG 4.44Å |
| 574 | E | 93.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | 154.3 | 178.7 | -166.4 | 170.6 | 176.4 | 0 | 0 | 111.5 | S544 A547 A571 E576 H577 R578 G579 A580 Y582 H598 | S544-E574 WeakPolarHBondContact CB-OE1 3.33Å; A547-E574 HydrophobicContact CB-CB 3.78Å; A547-E574 HydrophobicContact CB-CG 4.07Å; A571-E574 HydrophobicContact CB-CB 4.25Å; A571-E574 WeakPolarHBondContact O-CB 3.43Å; A571-E574 PolarHBondContact O-N 2.91Å; E574-E576 PolarHBondContact O-N 3.12Å; E574-H577 PolarHBondContact O-N 2.96Å; E574-R578 PolarHBondContact O-N 2.85Å; E574-G579 WeakPolarHBondContact O-CA 3.29Å; E574-G579 PolarHBondContact O-N 3.2Å; E574-A580 HydrophobicContact CB-CB 4.08Å; E574-A580 HydrophobicContact CG-CB 4.39Å; E574-A580 VanDerWaalsContact OE2-CB 3.29Å; E574-A580 WeakPolarHBondContact OE2-CB 3.19Å; E574-Y582 PolarHBondContact OE1-OH 3.17Å; E574-Y582 WeakPolarHBondContact OE2-CE2 3.5Å; E574-Y582 VanDerWaalsContact OE2-CZ 3.24Å; E574-Y582 PolarHBondContact OE2-OH 3.23Å; E574-H598 IonicContact OE1-CE1 3.85Å; E574-H598 PolarHBondContact OE1-CE1 2.72Å; E574-H598 IonicContact OE1-NE2 2.71Å; E574-H598 PolarHBondContact OE1-NE2 3.01Å; E574-H598 IonicContact OE2-NE2 3.01Å; E574-H598 PolarHBondContact OE2-NE2 2.9Å |
| 575 | D | 91.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 19.3 Ų | 19.3 | 25% | 0.246 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | 58.5 | 48.1 | 174.9 | -166.6 | 37.1 | 0 | 0 | 0 | 112.4 | R578 L600 S602 | D575-R578 HydrophobicContact CB-CB 4.34Å; D575-R578 VanDerWaalsContact CG-NE 3.35Å; D575-R578 VanDerWaalsContact O-CB 3.32Å; D575-R578 WeakPolarHBondContact O-CB 3.4Å; D575-R578 VanDerWaalsContact O-CG 3.28Å; D575-R578 WeakPolarHBondContact O-CG 3.04Å; D575-R578 PolarHBondContact O-N 2.65Å; D575-R578 PolarHBondContact O-NE 2.75Å; D575-R578 VanDerWaalsContact O-NE 3.11Å; D575-R578 PolarHBondContact O-NH2 2.68Å; D575-R578 IonicContact OD1-CZ 3.22Å; D575-R578 IonicContact OD1-NE 2.85Å; D575-R578 IonicContact OD1-NH2 3.55Å; D575-R578 PolarHBondContact OD1-NH2 3.11Å; D575-R578 IonicContact OD2-CZ 3.17Å; D575-R578 IonicContact OD2-NE 2.73Å; D575-R578 PolarHBondContact OD2-NE 3.41Å; D575-R578 IonicContact OD2-NH2 2.96Å; D575-R578 PolarHBondContact OD2-NH2 3.13Å; D575-L600 HydrophobicContact CB-CD2 4.35Å; D575-S602 WeakPolarHBondContact OD2-CB 3.47Å; D575-S602 PolarHBondContact OD2-OG 3.3Å |
| 576 | E | 90.6 | Very high | 95.4 | Very high | 148 Ų | 148 | 18.7 Ų | 18.7 | 69% | 0.692 | 9% | 0.086 | S | C | * | . | H | α-helix | trans | 60 | 53.4 | -179.3 | -54.1 | 170.9 | 155.5 | 0 | 0 | 112.5 | E574 R578 | E574-E576 PolarHBondContact O-N 3.12Å; E576-R578 PolarHBondContact O-N 3.4Å; E576-R578 IonicContact OE2-CZ 3.77Å; E576-R578 IonicContact OE2-NH1 3.4Å; E576-R578 PolarHBondContact OE2-NH1 3.25Å; E576-R578 IonicContact OE2-NH2 2.81Å; E576-R578 PolarHBondContact OE2-NH2 3.27Å |
| 577 | H | 92.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 25.7 Ų | 25.7 | 41% | 0.407 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | 66 | 9.7 | -179.4 | -55.4 | -83.9 | 0 | 0 | 0 | 115.1 | L573 E574 Q609 Y610 | L573-H577 PolarHBondContact O-N 3Å; E574-H577 PolarHBondContact O-N 2.96Å; H577-Q609 CarbonylContact O-C 3.54Å; H577-Q609 WeakPolarHBondContact O-CA 3.28Å; H577-Y610 HydrophobicContact CB-CD1 4.1Å; H577-Y610 HydrophobicContact CB-CE1 3.58Å; H577-Y610 AromaticContact CG-CE1 3.87Å; H577-Y610 AromaticContact ND1-CE1 3.5Å; H577-Y610 PolarHBondContact O-N 3.08Å |
| 578 | R | 94.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 29.6 Ų | 29.6 | 26% | 0.264 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -33.7 | 172.9 | -66.8 | -171 | -74 | -91.6 | 2.9 | 111.6 | E574 D575 E576 F611 | E574-R578 PolarHBondContact O-N 2.85Å; D575-R578 HydrophobicContact CB-CB 4.34Å; D575-R578 VanDerWaalsContact CG-NE 3.35Å; D575-R578 VanDerWaalsContact O-CB 3.32Å; D575-R578 WeakPolarHBondContact O-CB 3.4Å; D575-R578 VanDerWaalsContact O-CG 3.28Å; D575-R578 WeakPolarHBondContact O-CG 3.04Å; D575-R578 PolarHBondContact O-N 2.65Å; D575-R578 PolarHBondContact O-NE 2.75Å; D575-R578 VanDerWaalsContact O-NE 3.11Å; D575-R578 PolarHBondContact O-NH2 2.68Å; D575-R578 IonicContact OD1-CZ 3.22Å; D575-R578 IonicContact OD1-NE 2.85Å; D575-R578 IonicContact OD1-NH2 3.55Å; D575-R578 PolarHBondContact OD1-NH2 3.11Å; D575-R578 IonicContact OD2-CZ 3.17Å; D575-R578 IonicContact OD2-NE 2.73Å; D575-R578 PolarHBondContact OD2-NE 3.41Å; D575-R578 IonicContact OD2-NH2 2.96Å; D575-R578 PolarHBondContact OD2-NH2 3.13Å; E576-R578 PolarHBondContact O-N 3.4Å; E576-R578 IonicContact OE2-CZ 3.77Å; E576-R578 IonicContact OE2-NH1 3.4Å; E576-R578 PolarHBondContact OE2-NH1 3.25Å; E576-R578 IonicContact OE2-NH2 2.81Å; E576-R578 PolarHBondContact OE2-NH2 3.27Å; R578-F611 VanDerWaalsContact O-CB 3.26Å; R578-F611 WeakPolarHBondContact O-CB 3.38Å; R578-F611 PolarHBondContact O-N 2.93Å |
| 579 | G | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | 87.3 | 162.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A571 P572 E574 G601 F611 | A571-G579 WeakPolarHBondContact O-CA 3.47Å; P572-G579 WeakPolarHBondContact O-CA 3.23Å; P572-G579 PolarHBondContact O-N 3.49Å; E574-G579 WeakPolarHBondContact O-CA 3.29Å; E574-G579 PolarHBondContact O-N 3.2Å; G579-G601 PolarHBondContact O-N 3.22Å; G579-F611 CarbonylContact C-O 3.59Å; G579-F611 VanDerWaalsContact CA-O 3.26Å; G579-F611 WeakPolarHBondContact CA-O 3.27Å |
| 580 | A | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 163.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | A571 E574 Y582 I599 L600 F611 | A571-A580 PolarHBondContact N-O 3.44Å; A571-A580 PolarHBondContact O-N 3.31Å; E574-A580 HydrophobicContact CB-CB 4.08Å; E574-A580 HydrophobicContact CG-CB 4.39Å; E574-A580 VanDerWaalsContact OE2-CB 3.29Å; E574-A580 WeakPolarHBondContact OE2-CB 3.19Å; A580-Y582 HydrophobicContact CB-CE2 4.32Å; A580-I599 CarbonylContact C-O 3.39Å; A580-I599 VanDerWaalsContact CA-O 3.23Å; A580-I599 WeakPolarHBondContact CA-O 3.34Å; A580-I599 WeakPolarHBondContact CB-O 3.41Å; A580-L600 HydrophobicContact CB-CD2 3.93Å; A580-F611 PolarHBondContact N-O 2.92Å |
| 581 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.1 | 165.5 | 65.5 | 170.5 | 0 | 0 | 0 | 111.1 | V568 V569 I599 F611 V615 L629 V631 L640 | V568-I581 HydrophobicContact CG1-CB 4.12Å; V568-I581 HydrophobicContact CG1-CD1 4.13Å; V569-I581 CarbonylContact O-C 3.47Å; V569-I581 WeakPolarHBondContact O-CA 3.42Å; I581-I599 HydrophobicContact CD1-CB 4.46Å; I581-I599 HydrophobicContact CD1-CD1 4.09Å; I581-I599 HydrophobicContact CG1-CB 3.8Å; I581-I599 HydrophobicContact CG1-CD1 4.24Å; I581-I599 HydrophobicContact CG1-CG1 4.38Å; I581-I599 PolarHBondContact N-O 3.06Å; I581-I599 PolarHBondContact O-N 3.43Å; I581-F611 HydrophobicContact CB-CE1 4.42Å; I581-F611 HydrophobicContact CD1-CE1 4.44Å; I581-F611 HydrophobicContact CD1-CZ 4.29Å; I581-F611 HydrophobicContact CG1-CE1 3.96Å; I581-F611 HydrophobicContact CG1-CZ 4.3Å; I581-F611 HydrophobicContact CG2-CD1 4.43Å; I581-F611 HydrophobicContact CG2-CE1 3.92Å; I581-F611 HydrophobicContact CG2-CZ 4.33Å; I581-V615 HydrophobicContact CG2-CG2 4.23Å; I581-L629 HydrophobicContact CD1-CD1 4.1Å; I581-V631 HydrophobicContact CD1-CG2 4.04Å; I581-V631 HydrophobicContact CG2-CG1 3.99Å; I581-L640 HydrophobicContact CD1-CD1 3.93Å |
| 582 | Y | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.6 | -179.4 | -65.6 | -107.4 | 0 | 0 | 0 | 109.7 | F549 V568 V569 A571 E574 A580 Y584 C595 Q597 H598 | F549-Y582 AromaticContact CD2-CD2 3.75Å; F549-Y582 HydrophobicContact CD2-CD2 3.75Å; F549-Y582 AromaticContact CD2-CE2 3.81Å; F549-Y582 HydrophobicContact CD2-CE2 3.81Å; F549-Y582 HydrophobicContact CD2-CG 4.25Å; F549-Y582 HydrophobicContact CE2-CD1 4.23Å; F549-Y582 AromaticContact CE2-CD2 3.71Å; F549-Y582 HydrophobicContact CE2-CD2 3.71Å; F549-Y582 HydrophobicContact CE2-CE2 4.17Å; F549-Y582 AromaticContact CE2-CG 3.76Å; F549-Y582 HydrophobicContact CE2-CG 3.76Å; V568-Y582 CarbonylContact C-O 3.07Å; V568-Y582 VanDerWaalsContact CA-O 3.29Å; V568-Y582 WeakPolarHBondContact CA-O 3.09Å; V569-Y582 PolarHBondContact N-O 2.96Å; V569-Y582 PolarHBondContact O-N 3.16Å; A571-Y582 HydrophobicContact CB-CD2 4.32Å; A571-Y582 HydrophobicContact CB-CE2 3.77Å; E574-Y582 PolarHBondContact OE1-OH 3.17Å; E574-Y582 WeakPolarHBondContact OE2-CE2 3.5Å; E574-Y582 VanDerWaalsContact OE2-CZ 3.24Å; E574-Y582 PolarHBondContact OE2-OH 3.23Å; A580-Y582 HydrophobicContact CB-CE2 4.32Å; Y582-Y584 VanDerWaalsContact CB-CE2 3.48Å; Y582-Y584 HydrophobicContact CG-CE2 4.45Å; Y582-C595 HydrophobicContact CD1-CB 4.09Å; Y582-Q597 CarbonylContact C-O 3.42Å; Y582-Q597 WeakPolarHBondContact CA-O 3.44Å; Y582-H598 HydrophobicContact CD1-CB 4.42Å; Y582-H598 AromaticContact CD1-CD2 3.82Å; Y582-H598 HydrophobicContact CE1-CB 4.44Å; Y582-H598 AromaticContact CE1-CD2 3.44Å; Y582-H598 VanDerWaalsContact CE1-CD2 3.44Å; Y582-H598 WeakPolarHBondContact CE1-CD2 3.09Å; Y582-H598 AromaticContact CE1-CG 3.91Å; Y582-H598 AromaticContact CE1-NE2 3.71Å; Y582-H598 AromaticContact CE2-CD2 3.65Å; Y582-H598 AromaticContact CE2-NE2 3.65Å; Y582-H598 AromaticContact CZ-CD2 3.34Å; Y582-H598 AromaticContact CZ-NE2 3.21Å; Y582-H598 PolarHBondContact OH-NE2 3.24Å; Y582-H598 VanDerWaalsContact OH-NE2 3.16Å |
| 583 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.1 | 177.1 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | F23 L559 V567 V568 K596 Q597 | F23-V583 HydrophobicContact CD1-CG1 4.19Å; F23-V583 HydrophobicContact CE1-CG1 4.32Å; L559-V583 HydrophobicContact CD1-CG1 3.77Å; V567-V583 WeakPolarHBondContact O-CA 3.31Å; V568-V583 HydrophobicContact CG2-CG2 4.41Å; V583-K596 PolarHBondContact O-N 3.06Å; V583-Q597 HydrophobicContact CB-CB 3.89Å; V583-Q597 HydrophobicContact CG2-CB 3.94Å; V583-Q597 PolarHBondContact N-O 3.11Å; V583-Q597 PolarHBondContact O-N 3Å |
| 584 | Y | 96.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141.6 | 178.7 | -62.5 | -92.2 | 0 | 0 | 0 | 110 | L538 K539 F549 D566 V567 V569 Y582 H593 C595 | L538-Y584 HydrophobicContact CB-CE1 3.99Å; L538-Y584 HydrophobicContact CB-CE2 4.45Å; L538-Y584 HydrophobicContact CD1-CD2 4.1Å; L538-Y584 HydrophobicContact CD1-CE2 4.08Å; L538-Y584 HydrophobicContact CD1-CG 4.4Å; L538-Y584 HydrophobicContact CD2-CD1 3.76Å; L538-Y584 HydrophobicContact CD2-CE1 4.03Å; L538-Y584 HydrophobicContact CD2-CG 4.04Å; L538-Y584 HydrophobicContact CG-CE1 4.45Å; K539-Y584 PolarHBondContact O-OH 2.93Å; F549-Y584 HydrophobicContact CE2-CE2 4.26Å; F549-Y584 WeakPolarHBondContact CE2-OH 3.48Å; F549-Y584 HydrophobicContact CZ-CE2 4.06Å; F549-Y584 AromaticContact CZ-CZ 3.95Å; F549-Y584 WeakPolarHBondContact CZ-OH 3.18Å; D566-Y584 WeakPolarHBondContact CA-O 3.45Å; D566-Y584 WeakPolarHBondContact CB-O 3.49Å; V567-Y584 PolarHBondContact N-O 3.42Å; V567-Y584 PolarHBondContact O-N 3.15Å; V569-Y584 HydrophobicContact CB-CE2 4.2Å; V569-Y584 HydrophobicContact CG2-CD2 3.88Å; V569-Y584 HydrophobicContact CG2-CE2 3.7Å; Y582-Y584 VanDerWaalsContact CB-CE2 3.48Å; Y582-Y584 HydrophobicContact CG-CE2 4.45Å; Y584-H593 WeakPolarHBondContact CE1-O 3.44Å; Y584-C595 HydrophobicContact CD1-CB 4.39Å; Y584-C595 VanDerWaalsContact CE1-CA 3.49Å; Y584-C595 HydrophobicContact CE1-CB 3.73Å |
| 585 | H | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -96.2 | 142.7 | -179.2 | -71.6 | -34.6 | 0 | 0 | 0 | 113.8 | F23 D566 I592 K596 | F23-H585 AromaticContact CD1-CE1 3.83Å; F23-H585 AromaticContact CD1-NE2 3.85Å; F23-H585 AromaticContact CD2-NE2 3.42Å; F23-H585 WeakPolarHBondContact CD2-NE2 3.35Å; F23-H585 AromaticContact CE1-CE1 3.3Å; F23-H585 WeakPolarHBondContact CE1-CE1 3.34Å; F23-H585 AromaticContact CE1-NE2 3.66Å; F23-H585 AromaticContact CE2-CE1 3.62Å; F23-H585 AromaticContact CE2-NE2 3.24Å; F23-H585 WeakPolarHBondContact CE2-NE2 3.44Å; F23-H585 AromaticContact CG-NE2 3.75Å; F23-H585 AromaticContact CZ-CE1 3.22Å; F23-H585 WeakPolarHBondContact CZ-CE1 3.3Å; F23-H585 AromaticContact CZ-NE2 3.39Å; F23-H585 WeakPolarHBondContact CZ-NE2 3.29Å; D566-H585 WeakPolarHBondContact OD1-CA 3.28Å; D566-H585 IonicContact OD1-CG 2.69Å; D566-H585 IonicContact OD1-ND1 3.74Å; D566-H585 PolarHBondContact OD1-ND1 2.91Å; D566-H585 IonicContact OD2-CE1 3.63Å; D566-H585 IonicContact OD2-ND1 2.97Å; D566-H585 PolarHBondContact OD2-ND1 3.1Å; H585-I592 HydrophobicContact CB-CD1 4.17Å; H585-I592 WeakPolarHBondContact O-CB 3.4Å; H585-I592 PolarHBondContact O-N 3.15Å; H585-K596 HydrophobicContact CB-CG 4.28Å; H585-K596 VanDerWaalsContact CD2-CG 3.43Å; H585-K596 WeakPolarHBondContact CD2-CG 3.38Å | ||
| 586 | G | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 158.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112 | T565 D566 Y590 | T565-G586 VanDerWaalsContact O-CA 3.25Å; T565-G586 WeakPolarHBondContact O-CA 3.38Å; T565-G586 PolarHBondContact O-N 2.8Å; D566-G586 PolarHBondContact OD1-N 3.35Å; D566-G586 VanDerWaalsContact OD1-N 3.07Å; G586-Y590 CarbonylContact C-O 3.39Å |
| 587 | Y | 93.8 | Very high | 94.3 | Very high | 147 Ų | 147 | 38 Ų | 38 | 58% | 0.576 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 121.9 | 169.3 | -179.6 | -101.2 | 0 | 0 | 0 | 110.1 | F564 I589 Y590 | F564-Y587 HydrophobicContact CE2-CD2 4.35Å; Y587-I589 PolarHBondContact O-N 3.05Å; Y587-Y590 PolarHBondContact N-O 3.17Å; Y587-Y590 PolarHBondContact O-N 2.84Å |
| 588 | D | 93.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -118.3 | -175.3 | -160.7 | 30.2 | 0 | 0 | 0 | 109.2 | I494 F564 | I494-D588 WeakPolarHBondContact CG2-O 3.32Å; F564-D588 VanDerWaalsContact CD1-O 3.31Å; F564-D588 WeakPolarHBondContact CD1-O 3.39Å; F564-D588 WeakPolarHBondContact CE1-O 3.32Å; F564-D588 VanDerWaalsContact CZ-N 3.34Å |
| 589 | I | 93.4 | Very high | 94.3 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 30% | 0.303 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 19.3 | 175 | 61.2 | 170.1 | 0 | 0 | 0 | 112.9 | D501 Y587 | D501-I589 HydrophobicContact CB-CB 4.25Å; Y587-I589 PolarHBondContact O-N 3.05Å |
| 590 | Y | 94.1 | Very high | 94.2 | Very high | 111 Ų | 111 | 35.9 Ų | 35.9 | 44% | 0.435 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 159.6 | -174.1 | -53.9 | -77.7 | 0 | 0 | 0 | 112.4 | T525 G586 Y587 | T525-Y590 HydrophobicContact CG2-CD1 4.12Å; T525-Y590 HydrophobicContact CG2-CE1 4.46Å; G586-Y590 CarbonylContact C-O 3.39Å; Y587-Y590 PolarHBondContact N-O 3.17Å; Y587-Y590 PolarHBondContact O-N 2.84Å |
| 591 | I | 95.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.1 | 167.4 | -163.8 | 164 | 0 | 0 | 0 | 110.5 | L492 V502 L504 I523 L538 V567 H593 | L492-I591 HydrophobicContact CD1-CD1 4.27Å; V502-I591 HydrophobicContact CG1-CG2 4.47Å; L504-I591 HydrophobicContact CD1-CD1 4.38Å; I523-I591 HydrophobicContact CD1-CG2 3.82Å; I523-I591 HydrophobicContact CG1-CG2 4.15Å; I523-I591 HydrophobicContact CG2-CG2 3.86Å; L538-I591 HydrophobicContact CD2-CD1 4.12Å; L538-I591 HydrophobicContact CD2-CG1 4.34Å; L538-I591 HydrophobicContact CD2-CG2 4.15Å; V567-I591 HydrophobicContact CB-CD1 3.84Å; V567-I591 HydrophobicContact CG2-CD1 3.64Å; I591-H593 PolarHBondContact O-CD2 3.37Å; I591-H593 VanDerWaalsContact O-CD2 3.28Å; I591-H593 PolarHBondContact O-N 3.21Å |
| 592 | I | 94.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | trans | -75.3 | 123 | 174.9 | -61.6 | 174.5 | 0 | 0 | 0 | 109.1 | H585 D594 | H585-I592 HydrophobicContact CB-CD1 4.17Å; H585-I592 WeakPolarHBondContact O-CB 3.4Å; H585-I592 PolarHBondContact O-N 3.15Å; I592-D594 VanDerWaalsContact C-N 3.28Å; I592-D594 PolarHBondContact O-N 2.98Å | ||
| 593 | H | 94.8 | Very high | 93.6 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -70.8 | -23.3 | -171.5 | -62.5 | -154.8 | 0 | 0 | 0 | 113.5 | N535 K539 Y584 I591 | N535-H593 PolarHBondContact O-CE1 3.3Å; K539-H593 WeakPolarHBondContact CB-O 3.38Å; K539-H593 PolarHBondContact N-O 3.19Å; Y584-H593 WeakPolarHBondContact CE1-O 3.44Å; I591-H593 PolarHBondContact O-CD2 3.37Å; I591-H593 VanDerWaalsContact O-CD2 3.28Å; I591-H593 PolarHBondContact O-N 3.21Å |
| 594 | D | 92.3 | Very high | 93.4 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -88.1 | 124.8 | -177.9 | -77.3 | -78.2 | 0 | 0 | 0 | 110.9 | K539 I592 K596 | K539-D594 VanDerWaalsContact CD-OD1 3.28Å; K539-D594 WeakPolarHBondContact CD-OD1 3.37Å; K539-D594 VanDerWaalsContact NZ-CG 3.31Å; K539-D594 IonicContact NZ-OD1 3.54Å; K539-D594 PolarHBondContact NZ-OD1 3.19Å; K539-D594 VanDerWaalsContact NZ-OD1 3.11Å; K539-D594 IonicContact NZ-OD2 3.67Å; K539-D594 PolarHBondContact NZ-OD2 2.81Å; I592-D594 VanDerWaalsContact C-N 3.28Å; I592-D594 PolarHBondContact O-N 2.98Å; D594-K596 PolarHBondContact O-N 3.03Å |
| 595 | C | 92.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | trans | -56.3 | 134.4 | 176.8 | 173 | 0 | 0 | 0 | 0 | 112.4 | R21 Y582 Y584 Q597 | R21-C595 WeakPolarHBondContact CD-O 3.05Å; R21-C595 PolarHBondContact NH1-O 2.87Å; Y582-C595 HydrophobicContact CD1-CB 4.09Å; Y584-C595 HydrophobicContact CD1-CB 4.39Å; Y584-C595 VanDerWaalsContact CE1-CA 3.49Å; Y584-C595 HydrophobicContact CE1-CB 3.73Å; C595-Q597 PolarHBondContact SG-O 3.1Å | ||
| 596 | K | 91.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -98.5 | -35.3 | -176.8 | -61.1 | -61 | -156.8 | 165.9 | 0 | 112.9 | R21 V583 H585 D594 E772 | R21-K596 WeakPolarHBondContact CB-O 3.18Å; V583-K596 PolarHBondContact O-N 3.06Å; H585-K596 HydrophobicContact CB-CG 4.28Å; H585-K596 VanDerWaalsContact CD2-CG 3.43Å; H585-K596 WeakPolarHBondContact CD2-CG 3.38Å; D594-K596 PolarHBondContact O-N 3.03Å; K596-E772 IonicContact NZ-OE1 2.68Å; K596-E772 PolarHBondContact NZ-OE1 3.18Å; K596-E772 IonicContact NZ-OE2 3.26Å |
| 597 | Q | 91.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.8 | 168.9 | -146.3 | 167.7 | -18.1 | 0 | 0 | 110.8 | F23 I25 Y582 V583 C595 I599 | F23-Q597 HydrophobicContact CB-CB 3.91Å; F23-Q597 HydrophobicContact CB-CG 4.08Å; F23-Q597 HydrophobicContact CD1-CB 4.46Å; F23-Q597 PolarHBondContact O-NE2 3.37Å; F23-Q597 PolarHBondContact O-OE1 2.87Å; I25-Q597 VanDerWaalsContact CB-OE1 3.32Å; I25-Q597 PolarHBondContact O-NE2 3.05Å; Y582-Q597 CarbonylContact C-O 3.42Å; Y582-Q597 WeakPolarHBondContact CA-O 3.44Å; V583-Q597 HydrophobicContact CB-CB 3.89Å; V583-Q597 HydrophobicContact CG2-CB 3.94Å; V583-Q597 PolarHBondContact N-O 3.11Å; V583-Q597 PolarHBondContact O-N 3Å; C595-Q597 PolarHBondContact SG-O 3.1Å; Q597-I599 HydrophobicContact CG-CD1 4.23Å; Q597-I599 HydrophobicContact CG-CG1 3.96Å |
| 598 | H | 93.2 | Very high | 92.4 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.269 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.7 | 170.5 | 177.1 | -144.8 | 0 | 0 | 0 | 108.3 | E574 Y582 | E574-H598 IonicContact OE1-CE1 3.85Å; E574-H598 PolarHBondContact OE1-CE1 2.72Å; E574-H598 IonicContact OE1-NE2 2.71Å; E574-H598 PolarHBondContact OE1-NE2 3.01Å; E574-H598 IonicContact OE2-NE2 3.01Å; E574-H598 PolarHBondContact OE2-NE2 2.9Å; Y582-H598 HydrophobicContact CD1-CB 4.42Å; Y582-H598 AromaticContact CD1-CD2 3.82Å; Y582-H598 HydrophobicContact CE1-CB 4.44Å; Y582-H598 AromaticContact CE1-CD2 3.44Å; Y582-H598 VanDerWaalsContact CE1-CD2 3.44Å; Y582-H598 WeakPolarHBondContact CE1-CD2 3.09Å; Y582-H598 AromaticContact CE1-CG 3.91Å; Y582-H598 AromaticContact CE1-NE2 3.71Å; Y582-H598 AromaticContact CE2-CD2 3.65Å; Y582-H598 AromaticContact CE2-NE2 3.65Å; Y582-H598 AromaticContact CZ-CD2 3.34Å; Y582-H598 AromaticContact CZ-NE2 3.21Å; Y582-H598 PolarHBondContact OH-NE2 3.24Å; Y582-H598 VanDerWaalsContact OH-NE2 3.16Å |
| 599 | I | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 109.1 | -173.3 | -55 | 173.6 | 0 | 0 | 0 | 108.1 | I25 V27 A580 I581 Q597 L604 F611 L640 | I25-I599 HydrophobicContact CB-CD1 3.97Å; I25-I599 HydrophobicContact CG2-CD1 3.8Å; V27-I599 HydrophobicContact CG1-CB 4.33Å; V27-I599 HydrophobicContact CG1-CD1 3.81Å; V27-I599 HydrophobicContact CG1-CG1 3.78Å; V27-I599 HydrophobicContact CG1-CG2 3.69Å; A580-I599 CarbonylContact C-O 3.39Å; A580-I599 VanDerWaalsContact CA-O 3.23Å; A580-I599 WeakPolarHBondContact CA-O 3.34Å; A580-I599 WeakPolarHBondContact CB-O 3.41Å; I581-I599 HydrophobicContact CD1-CB 4.46Å; I581-I599 HydrophobicContact CD1-CD1 4.09Å; I581-I599 HydrophobicContact CG1-CB 3.8Å; I581-I599 HydrophobicContact CG1-CD1 4.24Å; I581-I599 HydrophobicContact CG1-CG1 4.38Å; I581-I599 PolarHBondContact N-O 3.06Å; I581-I599 PolarHBondContact O-N 3.43Å; Q597-I599 HydrophobicContact CG-CD1 4.23Å; Q597-I599 HydrophobicContact CG-CG1 3.96Å; I599-L604 HydrophobicContact CG2-CD1 3.95Å; I599-L604 HydrophobicContact CG2-CD2 4.06Å; I599-L604 HydrophobicContact CG2-CG 4.09Å; I599-F611 HydrophobicContact CG2-CE1 4.4Å; I599-L640 HydrophobicContact CD1-CD1 4.1Å; I599-L640 HydrophobicContact CG2-CD1 4.41Å |
| 600 | L | 93.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 134.3 | 176.4 | -63.4 | 173.4 | 0 | 0 | 0 | 110 | D575 A580 S602 S603 | D575-L600 HydrophobicContact CB-CD2 4.35Å; A580-L600 HydrophobicContact CB-CD2 3.93Å; L600-S602 PolarHBondContact O-N 3.44Å; L600-S603 WeakPolarHBondContact O-CB 3.44Å; L600-S603 PolarHBondContact O-N 3.12Å; L600-S603 PolarHBondContact O-OG 3.16Å |
| 601 | G | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -37.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G579 S603 L604 S605 | G579-G601 PolarHBondContact O-N 3.22Å; G601-S603 PolarHBondContact O-N 3.03Å; G601-L604 PolarHBondContact O-N 2.84Å; G601-S605 PolarHBondContact O-N 3.03Å; G601-S605 VanDerWaalsContact O-O 3.07Å |
| 602 | S | 91.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.7 | -26.7 | 176 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | D575 L600 | D575-S602 WeakPolarHBondContact OD2-CB 3.47Å; D575-S602 PolarHBondContact OD2-OG 3.3Å; L600-S602 PolarHBondContact O-N 3.44Å |
| 603 | S | 90.6 | Very high | 93 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -77.1 | -24.7 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 113 | L600 G601 | L600-S603 WeakPolarHBondContact O-CB 3.44Å; L600-S603 PolarHBondContact O-N 3.12Å; L600-S603 PolarHBondContact O-OG 3.16Å; G601-S603 PolarHBondContact O-N 3.03Å |
| 604 | L | 91.5 | Very high | 93.2 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -87.6 | -48 | 179.5 | -57.5 | 177.1 | 0 | 0 | 0 | 111.1 | V27 P30 I599 G601 L608 F611 V638 L640 | V27-L604 HydrophobicContact CB-CD2 3.78Å; V27-L604 HydrophobicContact CG1-CD2 4.2Å; V27-L604 VanDerWaalsContact O-CD2 3.3Å; V27-L604 WeakPolarHBondContact O-CD2 3.31Å; P30-L604 HydrophobicContact CB-CD2 4.3Å; P30-L604 HydrophobicContact CG-CB 4.22Å; P30-L604 HydrophobicContact CG-CD2 4.22Å; I599-L604 HydrophobicContact CG2-CD1 3.95Å; I599-L604 HydrophobicContact CG2-CD2 4.06Å; I599-L604 HydrophobicContact CG2-CG 4.09Å; G601-L604 PolarHBondContact O-N 2.84Å; L604-L608 HydrophobicContact CB-CD1 3.93Å; L604-L608 HydrophobicContact CD1-CD1 4.4Å; L604-F611 HydrophobicContact CD1-CE1 3.97Å; L604-F611 HydrophobicContact CD1-CE2 3.79Å; L604-F611 HydrophobicContact CD1-CZ 3.47Å; L604-F611 VanDerWaalsContact CD1-CZ 3.47Å; L604-V638 HydrophobicContact CD1-CG1 4.39Å; L604-L640 HydrophobicContact CD1-CD1 4.39Å; L604-L640 HydrophobicContact CD1-CD2 3.95Å; L604-L640 HydrophobicContact CD2-CD2 3.97Å |
| 605 | S | 89.8 | Confident | 93.4 | Very high | 25 Ų | 25 | 35.8 Ų | 35.8 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | trans | -158.5 | 133.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.4 | G601 S607 L608 | G601-S605 PolarHBondContact O-N 3.03Å; G601-S605 VanDerWaalsContact O-O 3.07Å; S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.08Å; S605-S607 PolarHBondContact OG-N 2.81Å; S605-S607 PolarHBondContact OG-OG 3.22Å; S605-L608 PolarHBondContact O-N 3.11Å | ||
| 606 | P | 86.9 | Confident | 93.6 | Very high | 121 Ų | 121 | 35.7 Ų | 35.7 | 79% | 0.786 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.4 | 179.5 | 29.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 607 | S | 88.2 | Confident | 93.7 | Very high | 68 Ų | 68 | 33.9 Ų | 33.9 | 48% | 0.476 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.6 | 179.5 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | S605 | S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.08Å; S605-S607 PolarHBondContact OG-N 2.81Å; S605-S607 PolarHBondContact OG-OG 3.22Å |
| 608 | L | 94 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -73.3 | 135.3 | -178.5 | -73.6 | 169.4 | 0 | 0 | 0 | 111.3 | L604 S605 F611 A633 R636 V638 | L604-L608 HydrophobicContact CB-CD1 3.93Å; L604-L608 HydrophobicContact CD1-CD1 4.4Å; S605-L608 PolarHBondContact O-N 3.11Å; L608-F611 HydrophobicContact CB-CB 4.45Å; L608-F611 HydrophobicContact CD1-CD2 4.18Å; L608-A633 HydrophobicContact CD2-CB 3.83Å; L608-R636 HydrophobicContact CD2-CB 3.87Å; L608-R636 HydrophobicContact CD2-CG 4.08Å; L608-V638 HydrophobicContact CD1-CG2 4.22Å; L608-V638 HydrophobicContact CD2-CG2 3.87Å | ||
| 609 | Q | 95.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 39.2 Ų | 39.2 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | trans | -132.5 | 146 | 170.7 | -67.1 | -174.9 | 6.1 | 0 | 0 | 109.1 | H577 F611 A633 Q634 | H577-Q609 CarbonylContact O-C 3.54Å; H577-Q609 WeakPolarHBondContact O-CA 3.28Å; Q609-F611 PolarHBondContact O-N 3.1Å; Q609-F611 VanDerWaalsContact O-N 3.16Å; Q609-A633 WeakPolarHBondContact O-CB 3.4Å; Q609-Q634 HydrophobicContact CB-CB 4.33Å; Q609-Q634 PolarHBondContact O-N 3.15Å | ||
| 610 | Y | 96.8 | Very high | 93.5 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 53.3 | 31.4 | -177.4 | -52.9 | -33.9 | 0 | 0 | 0 | 114.2 | P572 L573 H577 G612 R613 Q634 | P572-Y610 VanDerWaalsContact O-CA 3.31Å; P572-Y610 WeakPolarHBondContact O-CA 3.4Å; L573-Y610 HydrophobicContact CD2-CD1 3.36Å; L573-Y610 HydrophobicContact CD2-CE1 3.35Å; L573-Y610 HydrophobicContact CD2-CG 4.44Å; H577-Y610 HydrophobicContact CB-CD1 4.1Å; H577-Y610 HydrophobicContact CB-CE1 3.58Å; H577-Y610 AromaticContact CG-CE1 3.87Å; H577-Y610 AromaticContact ND1-CE1 3.5Å; H577-Y610 PolarHBondContact O-N 3.08Å; Y610-G612 PolarHBondContact O-N 3.4Å; Y610-R613 WeakPolarHBondContact O-CB 3.34Å; Y610-R613 WeakPolarHBondContact O-CG 3.31Å; Y610-R613 PolarHBondContact O-N 2.83Å; Y610-R613 VanDerWaalsContact O-N 3.15Å; Y610-Q634 HydrophobicContact CD2-CB 4Å |
| 611 | F | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -62.3 | 125.6 | 176.3 | 175.8 | -103.1 | 0 | 0 | 0 | 110.8 | P572 R578 G579 A580 I581 I599 L604 L608 Q609 V631 A633 V638 L640 | P572-F611 WeakPolarHBondContact CA-O 3.42Å; R578-F611 VanDerWaalsContact O-CB 3.26Å; R578-F611 WeakPolarHBondContact O-CB 3.38Å; R578-F611 PolarHBondContact O-N 2.93Å; G579-F611 CarbonylContact C-O 3.59Å; G579-F611 VanDerWaalsContact CA-O 3.26Å; G579-F611 WeakPolarHBondContact CA-O 3.27Å; A580-F611 PolarHBondContact N-O 2.92Å; I581-F611 HydrophobicContact CB-CE1 4.42Å; I581-F611 HydrophobicContact CD1-CE1 4.44Å; I581-F611 HydrophobicContact CD1-CZ 4.29Å; I581-F611 HydrophobicContact CG1-CE1 3.96Å; I581-F611 HydrophobicContact CG1-CZ 4.3Å; I581-F611 HydrophobicContact CG2-CD1 4.43Å; I581-F611 HydrophobicContact CG2-CE1 3.92Å; I581-F611 HydrophobicContact CG2-CZ 4.33Å; I599-F611 HydrophobicContact CG2-CE1 4.4Å; L604-F611 HydrophobicContact CD1-CE1 3.97Å; L604-F611 HydrophobicContact CD1-CE2 3.79Å; L604-F611 HydrophobicContact CD1-CZ 3.47Å; L604-F611 VanDerWaalsContact CD1-CZ 3.47Å; L608-F611 HydrophobicContact CB-CB 4.45Å; L608-F611 HydrophobicContact CD1-CD2 4.18Å; Q609-F611 PolarHBondContact O-N 3.1Å; Q609-F611 VanDerWaalsContact O-N 3.16Å; F611-V631 HydrophobicContact CD2-CB 4.31Å; F611-V631 HydrophobicContact CD2-CG1 3.7Å; F611-V631 HydrophobicContact CE1-CG1 4.36Å; F611-V631 HydrophobicContact CE2-CB 3.62Å; F611-V631 HydrophobicContact CE2-CG1 3.37Å; F611-V631 HydrophobicContact CE2-CG2 4.18Å; F611-V631 HydrophobicContact CG-CG1 4.31Å; F611-V631 HydrophobicContact CZ-CB 4.06Å; F611-V631 HydrophobicContact CZ-CG1 3.73Å; F611-V631 HydrophobicContact CZ-CG2 4.14Å; F611-A633 HydrophobicContact CB-CB 4.39Å; F611-V638 HydrophobicContact CD2-CG2 4.09Å; F611-V638 HydrophobicContact CE2-CB 3.93Å; F611-V638 HydrophobicContact CE2-CG1 4.23Å; F611-V638 HydrophobicContact CE2-CG2 3.95Å; F611-L640 HydrophobicContact CZ-CD1 4.19Å |
| 612 | G | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 13 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | S552 G570 Y610 S614 G632 | S552-G612 PolarHBondContact OG-O 3.29Å; G570-G612 WeakPolarHBondContact CA-O 3.18Å; Y610-G612 PolarHBondContact O-N 3.4Å; G612-S614 VanDerWaalsContact C-N 3.26Å; G612-S614 PolarHBondContact O-N 2.76Å; G612-G632 PolarHBondContact N-O 3.27Å |
| 613 | R | 97 | Very high | 92.5 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -68.3 | -25 | 173.9 | 65.4 | -179.4 | -66.6 | -172.9 | 9 | 113.4 | G42 F43 Y551 P572 Y610 G632 | G42-R613 VanDerWaalsContact O-CD 3.23Å; G42-R613 WeakPolarHBondContact O-CD 3.3Å; G42-R613 WeakPolarHBondContact O-CG 3.33Å; F43-R613 VanDerWaalsContact CA-CZ 3.45Å; F43-R613 VanDerWaalsContact CE2-NH2 3.34Å; Y551-R613 HydrophobicContact CD1-CB 4.4Å; Y551-R613 WeakPolarHBondContact CD1-O 3.29Å; Y551-R613 HydrophobicContact CE1-CB 4.08Å; Y551-R613 VanDerWaalsContact CE1-O 3.27Å; Y551-R613 WeakPolarHBondContact CE1-O 3.34Å; P572-R613 HydrophobicContact CB-CB 4.05Å; P572-R613 HydrophobicContact CG-CB 4.44Å; Y610-R613 WeakPolarHBondContact O-CB 3.34Å; Y610-R613 WeakPolarHBondContact O-CG 3.31Å; Y610-R613 PolarHBondContact O-N 2.83Å; Y610-R613 VanDerWaalsContact O-N 3.15Å; R613-G632 PolarHBondContact N-O 3.19Å |
| 614 | S | 97.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -148.7 | 147 | 171.3 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | G42 F43 G612 V631 G632 | G42-S614 PolarHBondContact O-OG 3.06Å; F43-S614 VanDerWaalsContact O-CB 3.27Å; F43-S614 WeakPolarHBondContact O-CB 3.17Å; F43-S614 PolarHBondContact O-OG 2.81Å; G612-S614 VanDerWaalsContact C-N 3.26Å; G612-S614 PolarHBondContact O-N 2.76Å; S614-V631 WeakPolarHBondContact O-CA 3.47Å; S614-G632 PolarHBondContact O-N 2.8Å |
| 615 | V | 97.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.109 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 140.3 | -175.4 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | A554 V568 I581 A630 V631 | A554-V615 HydrophobicContact CB-CB 4.08Å; A554-V615 HydrophobicContact CB-CG1 3.78Å; V568-V615 HydrophobicContact CB-CG1 4.02Å; V568-V615 HydrophobicContact CG1-CG1 3.8Å; I581-V615 HydrophobicContact CG2-CG2 4.23Å; V615-A630 CarbonylContact C-O 3.51Å; V615-A630 WeakPolarHBondContact CA-O 3.46Å; V615-V631 HydrophobicContact CG2-CG1 4.34Å |
| 616 | S | 96.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135 | 169.2 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | Q47 A630 | Q47-S616 PolarHBondContact N-OG 2.68Å; Q47-S616 VanDerWaalsContact OE1-C 3.31Å; Q47-S616 PolarHBondContact OE1-O 3.09Å; Q47-S616 PolarHBondContact OE1-OG 2.93Å; Q47-S616 VanDerWaalsContact OE1-OG 3.09Å; S616-A630 PolarHBondContact N-O 2.91Å; S616-A630 PolarHBondContact O-N 2.98Å |
| 617 | A | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | trans | -144.2 | 68.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A554 A556 P557 L629 | A554-A617 HydrophobicContact CB-CB 4.47Å; A556-A617 WeakPolarHBondContact CA-O 3.2Å; A556-A617 HydrophobicContact CB-CB 3.76Å; P557-A617 WeakPolarHBondContact CD-O 3.23Å; A617-L629 HydrophobicContact CB-CD2 3.41Å; A617-L629 VanDerWaalsContact CB-CD2 3.41Å | ||
| 618 | R | 89.9 | Confident | 92.3 | Very high | 132 Ų | 132 | 34.1 Ų | 34.1 | 50% | 0.498 | 17% | 0.173 | S | C | . | . | trans | -127.7 | -29.6 | -168 | -57.8 | -178.9 | 80.3 | -142 | 8.9 | 113.9 | P114 | P114-R618 VanDerWaalsContact CB-NH1 3.32Å; P114-R618 VanDerWaalsContact CG-NH1 3.29Å | ||
| 619 | L | 91.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -128 | 150 | -171.2 | -61.5 | 176.6 | 0 | 0 | 0 | 111.4 | Q47 E49 L621 D628 | Q47-L619 HydrophobicContact CB-CB 4.24Å; Q47-L619 HydrophobicContact CB-CD1 4.06Å; Q47-L619 HydrophobicContact CB-CG 4.31Å; Q47-L619 PolarHBondContact NE2-O 2.8Å; E49-L619 HydrophobicContact CB-CD1 4.15Å; L619-L621 HydrophobicContact CB-CD2 4.31Å; L619-D628 PolarHBondContact O-N 2.8Å |
| 620 | D | 91.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | trans | -72 | 117.5 | 157.2 | 164.8 | 4.4 | 0 | 0 | 0 | 107.4 | K54 D622 G623 D624 E625 L626 | K54-D620 VanDerWaalsContact CD-O 3.29Å; K54-D620 WeakPolarHBondContact CD-O 3.25Å; K54-D620 WeakPolarHBondContact CE-O 3.42Å; K54-D620 PolarHBondContact NZ-O 2.96Å; K54-D620 IonicContact NZ-OD1 3.35Å; K54-D620 PolarHBondContact NZ-OD1 2.95Å; K54-D620 VanDerWaalsContact NZ-OD1 3.13Å; K54-D620 IonicContact NZ-OD2 2.91Å; K54-D620 PolarHBondContact NZ-OD2 3.17Å; D620-D622 PolarHBondContact OD1-N 3.26Å; D620-D622 VanDerWaalsContact OD1-N 3.17Å; D620-G623 WeakPolarHBondContact OD1-CA 3.26Å; D620-G623 PolarHBondContact OD1-N 3.13Å; D620-G623 WeakPolarHBondContact OD2-CA 3.36Å; D620-D624 PolarHBondContact OD1-N 3.31Å; D620-D624 PolarHBondContact OD2-N 2.98Å; D620-E625 VanDerWaalsContact OD2-CA 3.28Å; D620-E625 WeakPolarHBondContact OD2-CA 3.5Å; D620-E625 PolarHBondContact OD2-N 3.04Å; D620-L626 WeakPolarHBondContact CA-O 3.45Å; D620-L626 WeakPolarHBondContact CB-O 3.37Å | ||
| 621 | L | 89.6 | Confident | 92.6 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -103.5 | -21.9 | 179.2 | -72 | -176.4 | 0 | 0 | 0 | 113.7 | Q47 K54 V78 L619 D628 L639 | Q47-L621 HydrophobicContact CB-CD1 4.15Å; Q47-L621 HydrophobicContact CB-CD2 4.34Å; Q47-L621 HydrophobicContact CB-CG 4.47Å; Q47-L621 HydrophobicContact CG-CD1 3.65Å; Q47-L621 HydrophobicContact CG-CG 4.29Å; K54-L621 HydrophobicContact CB-CD2 3.94Å; K54-L621 WeakPolarHBondContact CD-O 3.39Å; V78-L621 HydrophobicContact CB-CB 4.41Å; V78-L621 HydrophobicContact CG1-CB 4.22Å; V78-L621 WeakPolarHBondContact CG1-O 3.21Å; V78-L621 HydrophobicContact CG2-CB 4.23Å; V78-L621 HydrophobicContact CG2-CD1 4.27Å; L619-L621 HydrophobicContact CB-CD2 4.31Å; L621-D628 WeakPolarHBondContact CA-OD2 3.35Å; L621-D628 HydrophobicContact CB-CB 4.4Å; L621-D628 WeakPolarHBondContact CB-OD2 3.16Å; L621-D628 PolarHBondContact N-OD2 2.85Å; L621-L639 HydrophobicContact CB-CD1 4.07Å; L621-L639 HydrophobicContact CB-CD2 4.1Å; L621-L639 HydrophobicContact CD1-CD1 3.51Å; L621-L639 HydrophobicContact CG-CD1 4.32Å |
| 622 | D | 85.5 | Confident | 92.5 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -98.9 | -5 | -177.9 | 74 | 12.4 | 0 | 0 | 0 | 115.5 | D620 D624 D628 S641 | D620-D622 PolarHBondContact OD1-N 3.26Å; D620-D622 VanDerWaalsContact OD1-N 3.17Å; D622-D624 WeakPolarHBondContact OD1-CB 3.46Å; D622-D624 PolarHBondContact OD1-N 2.83Å; D622-D628 PolarHBondContact N-OD2 3.41Å; D622-S641 WeakPolarHBondContact OD2-CB 3.41Å; D622-S641 PolarHBondContact OD2-OG 3.42Å |
| 623 | G | 84.1 | Confident | 92.5 | Very high | 49 Ų | 49 | 26.1 Ų | 26.1 | 51% | 0.505 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 89.9 | 13.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | D620 | D620-G623 WeakPolarHBondContact OD1-CA 3.26Å; D620-G623 PolarHBondContact OD1-N 3.13Å; D620-G623 WeakPolarHBondContact OD2-CA 3.36Å |
| 624 | D | 82.7 | Confident | 92.5 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -93.1 | 6.2 | -177.4 | 83.6 | -9.7 | 0 | 0 | 0 | 115.1 | D620 D622 L626 | D620-D624 PolarHBondContact OD1-N 3.31Å; D620-D624 PolarHBondContact OD2-N 2.98Å; D622-D624 WeakPolarHBondContact OD1-CB 3.46Å; D622-D624 PolarHBondContact OD1-N 2.83Å; D624-L626 PolarHBondContact O-N 3.45Å; D624-L626 WeakPolarHBondContact OD1-CA 3.45Å; D624-L626 WeakPolarHBondContact OD1-CB 3.13Å; D624-L626 VanDerWaalsContact OD1-CG 3.31Å; D624-L626 WeakPolarHBondContact OD1-CG 3.17Å; D624-L626 PolarHBondContact OD1-N 3.49Å; D624-L626 WeakPolarHBondContact OD2-CD1 3.14Å |
| 625 | E | 85.6 | Confident | 92.3 | Very high | 104 Ų | 104 | 26.6 Ų | 26.6 | 49% | 0.486 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 68.8 | 11 | -175.1 | -53.9 | 176.3 | -162.6 | 0 | 0 | 114.7 | D620 G690 | D620-E625 VanDerWaalsContact OD2-CA 3.28Å; D620-E625 WeakPolarHBondContact OD2-CA 3.5Å; D620-E625 PolarHBondContact OD2-N 3.04Å; E625-G690 WeakPolarHBondContact OE2-CA 3.34Å; E625-G690 PolarHBondContact OE2-N 2.95Å |
| 626 | L | 89.4 | Confident | 92.2 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -106.2 | 146.7 | 175 | -45.6 | -179.1 | 0 | 0 | 0 | 110.7 | H561 D620 D624 D628 R643 P689 | H561-L626 WeakPolarHBondContact NE2-CD2 3.37Å; D620-L626 WeakPolarHBondContact CA-O 3.45Å; D620-L626 WeakPolarHBondContact CB-O 3.37Å; D624-L626 PolarHBondContact O-N 3.45Å; D624-L626 WeakPolarHBondContact OD1-CA 3.45Å; D624-L626 WeakPolarHBondContact OD1-CB 3.13Å; D624-L626 VanDerWaalsContact OD1-CG 3.31Å; D624-L626 WeakPolarHBondContact OD1-CG 3.17Å; D624-L626 PolarHBondContact OD1-N 3.49Å; D624-L626 WeakPolarHBondContact OD2-CD1 3.14Å; L626-D628 PolarHBondContact O-N 3.35Å; L626-R643 VanDerWaalsContact CD1-C 3.44Å; L626-P689 HydrophobicContact CD2-CG 4.38Å |
| 627 | I | 92.1 | Very high | 92.1 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 16% | 0.159 | 15% | 0.145 | C | C | . | . | trans | -72 | 131.5 | 179.5 | -61.6 | -60.4 | 0 | 0 | 0 | 110.1 | L559 S642 | L559-I627 HydrophobicContact CD2-CB 4.17Å; L559-I627 HydrophobicContact CD2-CG2 4.09Å; I627-S642 VanDerWaalsContact O-CB 3.23Å; I627-S642 WeakPolarHBondContact O-CB 3.48Å; I627-S642 PolarHBondContact O-OG 3.06Å | ||
| 628 | D | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -101.5 | 159.5 | 178 | -63.4 | -33.2 | 0 | 0 | 0 | 112.4 | Q47 L619 L621 D622 L626 L639 S641 S642 | Q47-D628 PolarHBondContact NE2-O 2.88Å; L619-D628 PolarHBondContact O-N 2.8Å; L621-D628 WeakPolarHBondContact CA-OD2 3.35Å; L621-D628 HydrophobicContact CB-CB 4.4Å; L621-D628 WeakPolarHBondContact CB-OD2 3.16Å; L621-D628 PolarHBondContact N-OD2 2.85Å; D622-D628 PolarHBondContact N-OD2 3.41Å; L626-D628 PolarHBondContact O-N 3.35Å; D628-L639 HydrophobicContact CB-CD1 3.78Å; D628-S641 VanDerWaalsContact OD1-CA 3.23Å; D628-S641 WeakPolarHBondContact OD1-CA 3.2Å; D628-S642 PolarHBondContact OD1-N 2.71Å | ||
| 629 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.3 | 176.1 | -51.9 | -176.1 | 0 | 0 | 0 | 111 | I25 L559 V568 I581 A617 V631 L639 L640 | I25-L629 HydrophobicContact CD1-CD1 3.83Å; I25-L629 HydrophobicContact CD1-CG 4.04Å; I25-L629 HydrophobicContact CG1-CD1 3.85Å; I25-L629 HydrophobicContact CG2-CD1 4.12Å; L559-L629 HydrophobicContact CD1-CD2 4.41Å; L559-L629 HydrophobicContact CD2-CD2 4.14Å; V568-L629 HydrophobicContact CG2-CD1 4.18Å; V568-L629 HydrophobicContact CG2-CD2 3.9Å; I581-L629 HydrophobicContact CD1-CD1 4.1Å; A617-L629 HydrophobicContact CB-CD2 3.41Å; A617-L629 VanDerWaalsContact CB-CD2 3.41Å; L629-V631 HydrophobicContact CB-CG2 4.44Å; L629-L639 WeakPolarHBondContact O-CA 3.42Å; L629-L640 HydrophobicContact CB-CB 4.27Å; L629-L640 PolarHBondContact N-O 2.78Å; L629-L640 PolarHBondContact O-N 3.49Å |
| 630 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V45 Q47 M56 V615 S616 V638 | V45-A630 HydrophobicContact CG2-CB 4.41Å; Q47-A630 HydrophobicContact CG-CB 3.63Å; M56-A630 HydrophobicContact CE-CB 3.4Å; M56-A630 HydrophobicContact CG-CB 4.21Å; M56-A630 HydrophobicContact SD-CB 3.83Å; V615-A630 CarbonylContact C-O 3.51Å; V615-A630 WeakPolarHBondContact CA-O 3.46Å; S616-A630 PolarHBondContact N-O 2.91Å; S616-A630 PolarHBondContact O-N 2.98Å; A630-V638 CarbonylContact C-O 3.57Å; A630-V638 WeakPolarHBondContact CA-O 3.43Å |
| 631 | V | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.6 | -174.1 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | I581 F611 S614 V615 L629 A637 V638 | I581-V631 HydrophobicContact CD1-CG2 4.04Å; I581-V631 HydrophobicContact CG2-CG1 3.99Å; F611-V631 HydrophobicContact CD2-CB 4.31Å; F611-V631 HydrophobicContact CD2-CG1 3.7Å; F611-V631 HydrophobicContact CE1-CG1 4.36Å; F611-V631 HydrophobicContact CE2-CB 3.62Å; F611-V631 HydrophobicContact CE2-CG1 3.37Å; F611-V631 HydrophobicContact CE2-CG2 4.18Å; F611-V631 HydrophobicContact CG-CG1 4.31Å; F611-V631 HydrophobicContact CZ-CB 4.06Å; F611-V631 HydrophobicContact CZ-CG1 3.73Å; F611-V631 HydrophobicContact CZ-CG2 4.14Å; S614-V631 WeakPolarHBondContact O-CA 3.47Å; V615-V631 HydrophobicContact CG2-CG1 4.34Å; L629-V631 HydrophobicContact CB-CG2 4.44Å; V631-A637 CarbonylContact O-C 3.58Å; V631-A637 WeakPolarHBondContact O-CA 3.18Å; V631-V638 PolarHBondContact N-O 3.24Å; V631-V638 PolarHBondContact O-N 3.25Å |
| 632 | G | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G42 G612 R613 S614 | G42-G632 WeakPolarHBondContact O-CA 3.23Å; G612-G632 PolarHBondContact N-O 3.27Å; R613-G632 PolarHBondContact N-O 3.19Å; S614-G632 PolarHBondContact O-N 2.8Å |
| 633 | A | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G42 L608 Q609 F611 G635 R636 | G42-A633 WeakPolarHBondContact CA-O 3.14Å; L608-A633 HydrophobicContact CD2-CB 3.83Å; Q609-A633 WeakPolarHBondContact O-CB 3.4Å; F611-A633 HydrophobicContact CB-CB 4.39Å; A633-G635 PolarHBondContact O-N 3.27Å; A633-R636 CarbonylContact C-O 3.52Å; A633-R636 WeakPolarHBondContact CA-O 3.33Å; A633-R636 HydrophobicContact CB-CB 3.93Å; A633-R636 PolarHBondContact N-O 3.18Å |
| 634 | Q | 96.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 18.6 Ų | 18.6 | 22% | 0.224 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 118 | 176.2 | 176.3 | 166.4 | -17.3 | 0 | 0 | 111.2 | E37 Q609 Y610 R636 | E37-Q634 HydrophobicContact CG-CG 3.72Å; E37-Q634 PolarHBondContact OE1-NE2 3.05Å; Q609-Q634 HydrophobicContact CB-CB 4.33Å; Q609-Q634 PolarHBondContact O-N 3.15Å; Y610-Q634 HydrophobicContact CD2-CB 4Å; Q634-R636 PolarHBondContact O-N 3.16Å |
| 635 | G | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 11.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G35 F41 A633 | G35-G635 PolarHBondContact N-O 2.83Å; G35-G635 VanDerWaalsContact N-O 3.08Å; F41-G635 WeakPolarHBondContact O-CA 3.49Å; F41-G635 PolarHBondContact O-N 2.87Å; A633-G635 PolarHBondContact O-N 3.27Å |
| 636 | R | 94.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 12 Ų | 12 | 28% | 0.275 | 6% | 0.059 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.4 | -170.8 | -62.3 | -68.3 | -178.3 | -109.4 | 8.5 | 111.3 | F33 T34 L608 A633 Q634 | F33-R636 VanDerWaalsContact O-CA 3.26Å; F33-R636 WeakPolarHBondContact O-CA 3.43Å; F33-R636 WeakPolarHBondContact O-CD 3.44Å; T34-R636 VanDerWaalsContact CG2-NH1 3.29Å; L608-R636 HydrophobicContact CD2-CB 3.87Å; L608-R636 HydrophobicContact CD2-CG 4.08Å; A633-R636 CarbonylContact C-O 3.52Å; A633-R636 WeakPolarHBondContact CA-O 3.33Å; A633-R636 HydrophobicContact CB-CB 3.93Å; A633-R636 PolarHBondContact N-O 3.18Å; Q634-R636 PolarHBondContact O-N 3.16Å |
| 637 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | F33 F41 V45 M56 V58 V631 | F33-A637 HydrophobicContact CB-CB 4.31Å; F33-A637 WeakPolarHBondContact CB-O 3.42Å; F33-A637 PolarHBondContact N-O 2.8Å; F33-A637 PolarHBondContact O-N 2.99Å; F41-A637 HydrophobicContact CE1-CB 3.96Å; F41-A637 HydrophobicContact CZ-CB 4.47Å; V45-A637 HydrophobicContact CG1-CB 4.35Å; M56-A637 HydrophobicContact SD-CB 3.8Å; V58-A637 HydrophobicContact CG1-CB 4.31Å; V58-A637 HydrophobicContact CG2-CB 3.79Å; V631-A637 CarbonylContact O-C 3.58Å; V631-A637 WeakPolarHBondContact O-CA 3.18Å |
| 638 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.4 | -171.3 | -175 | 0 | 0 | 0 | 0 | 109.2 | P30 R31 V32 L604 L608 F611 A630 V631 L640 | P30-V638 HydrophobicContact CB-CG1 4.02Å; R31-V638 CarbonylContact O-C 3.34Å; R31-V638 WeakPolarHBondContact O-CA 3.35Å; V32-V638 HydrophobicContact CG1-CG2 4.41Å; V32-V638 HydrophobicContact CG2-CG1 4.34Å; V32-V638 HydrophobicContact CG2-CG2 4.27Å; L604-V638 HydrophobicContact CD1-CG1 4.39Å; L608-V638 HydrophobicContact CD1-CG2 4.22Å; L608-V638 HydrophobicContact CD2-CG2 3.87Å; F611-V638 HydrophobicContact CD2-CG2 4.09Å; F611-V638 HydrophobicContact CE2-CB 3.93Å; F611-V638 HydrophobicContact CE2-CG1 4.23Å; F611-V638 HydrophobicContact CE2-CG2 3.95Å; A630-V638 CarbonylContact C-O 3.57Å; A630-V638 WeakPolarHBondContact CA-O 3.43Å; V631-V638 PolarHBondContact N-O 3.24Å; V631-V638 PolarHBondContact O-N 3.25Å; V638-L640 HydrophobicContact CG1-CD2 3.93Å; V638-L640 HydrophobicContact CG1-CG 4.17Å |
| 639 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.7 | 167.1 | -175.3 | 70.2 | 0 | 0 | 0 | 108.9 | R31 F33 M56 V78 L621 D628 L629 | R31-L639 HydrophobicContact CB-CB 4.2Å; R31-L639 PolarHBondContact N-O 3.41Å; R31-L639 PolarHBondContact O-N 2.99Å; F33-L639 HydrophobicContact CE2-CB 4.11Å; M56-L639 HydrophobicContact CE-CB 3.93Å; M56-L639 HydrophobicContact CE-CD1 3.98Å; V78-L639 HydrophobicContact CB-CD2 4.48Å; V78-L639 HydrophobicContact CG1-CD2 3.56Å; V78-L639 HydrophobicContact CG2-CD2 4.03Å; L621-L639 HydrophobicContact CB-CD1 4.07Å; L621-L639 HydrophobicContact CB-CD2 4.1Å; L621-L639 HydrophobicContact CD1-CD1 3.51Å; L621-L639 HydrophobicContact CG-CD1 4.32Å; D628-L639 HydrophobicContact CB-CD1 3.78Å; L629-L639 WeakPolarHBondContact O-CA 3.42Å |
| 640 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.8 | 172.3 | -57.6 | 173.6 | 0 | 0 | 0 | 108.8 | I25 P30 I581 I599 L604 F611 L629 V638 | I25-L640 HydrophobicContact CG2-CB 3.54Å; I25-L640 HydrophobicContact CG2-CD1 4.01Å; I25-L640 HydrophobicContact CG2-CG 4.35Å; P30-L640 HydrophobicContact CB-CD2 3.72Å; I581-L640 HydrophobicContact CD1-CD1 3.93Å; I599-L640 HydrophobicContact CD1-CD1 4.1Å; I599-L640 HydrophobicContact CG2-CD1 4.41Å; L604-L640 HydrophobicContact CD1-CD1 4.39Å; L604-L640 HydrophobicContact CD1-CD2 3.95Å; L604-L640 HydrophobicContact CD2-CD2 3.97Å; F611-L640 HydrophobicContact CZ-CD1 4.19Å; L629-L640 HydrophobicContact CB-CB 4.27Å; L629-L640 PolarHBondContact N-O 2.78Å; L629-L640 PolarHBondContact O-N 3.49Å; V638-L640 HydrophobicContact CG1-CD2 3.93Å; V638-L640 HydrophobicContact CG1-CG 4.17Å |
| 641 | S | 91.5 | Very high | 92.9 | Very high | 15 Ų | 15 | 20 Ų | 20 | 11% | 0.105 | 11% | 0.107 | C | C | . | . | trans | -78.6 | 144.6 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | D26 D622 D628 | D26-S641 PolarHBondContact N-O 3.25Å; D622-S641 WeakPolarHBondContact OD2-CB 3.41Å; D622-S641 PolarHBondContact OD2-OG 3.42Å; D628-S641 VanDerWaalsContact OD1-CA 3.23Å; D628-S641 WeakPolarHBondContact OD1-CA 3.2Å | ||
| 642 | S | 91.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 162.7 | 167.3 | -79.8 | 0 | 0 | 0 | 0 | 111.5 | N24 I25 I627 D628 | N24-S642 CarbonylContact O-C 3.52Å; I25-S642 VanDerWaalsContact CD1-OG 3.29Å; I25-S642 WeakPolarHBondContact CD1-OG 3.23Å; I627-S642 VanDerWaalsContact O-CB 3.23Å; I627-S642 WeakPolarHBondContact O-CB 3.48Å; I627-S642 PolarHBondContact O-OG 3.06Å; D628-S642 PolarHBondContact OD1-N 2.71Å |
| 643 | R | 88.1 | Confident | 92.5 | Very high | 34 Ų | 34 | 23.5 Ų | 23.5 | 13% | 0.128 | 13% | 0.131 | C | C | . | . | trans | -123.2 | 146.1 | 176.1 | -62.7 | 171.5 | 62.2 | 173.2 | 1.5 | 110.5 | N24 D26 L626 T764 G767 V769 | N24-R643 WeakPolarHBondContact CB-O 3.32Å; N24-R643 PolarHBondContact ND2-O 2.8Å; N24-R643 VanDerWaalsContact ND2-O 3.13Å; N24-R643 WeakPolarHBondContact O-CB 3.49Å; N24-R643 WeakPolarHBondContact O-CG 3.32Å; N24-R643 PolarHBondContact O-N 3.22Å; D26-R643 HydrophobicContact CB-CG 3.94Å; L626-R643 VanDerWaalsContact CD1-C 3.44Å; R643-T764 VanDerWaalsContact CZ-O 3.29Å; R643-T764 PolarHBondContact NH1-O 3.33Å; R643-T764 VanDerWaalsContact NH2-C 3.32Å; R643-T764 PolarHBondContact NH2-O 3.23Å; R643-G767 PolarHBondContact NE-O 3.05Å; R643-G767 VanDerWaalsContact NE-O 3.11Å; R643-G767 PolarHBondContact NH2-O 2.97Å; R643-V769 HydrophobicContact CB-CG1 4.25Å | ||
| 644 | S | 87.6 | Confident | 92.3 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 25% | 0.252 | 14% | 0.138 | S | C | . | . | trans | -61.9 | 138.4 | 177 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | S688 P768 V769 | S644-S688 WeakPolarHBondContact CA-OG 3.14Å; S644-P768 CarbonylContact O-C 3.58Å; S644-P768 WeakPolarHBondContact O-CA 3.3Å; S644-P768 VanDerWaalsContact O-CB 3.26Å; S644-P768 WeakPolarHBondContact O-CB 3.31Å; S644-P768 WeakPolarHBondContact OG-CB 3.33Å; S644-V769 PolarHBondContact O-N 3.47Å | ||
| 645 | I | 88.9 | Confident | 92 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129 | -178.4 | -61.6 | 168.2 | 0 | 0 | 0 | 109.5 | F23 N24 N560 R687 S688 V769 D771 | F23-I645 HydrophobicContact CE2-CD1 4.09Å; F23-I645 HydrophobicContact CZ-CD1 4.34Å; N24-I645 HydrophobicContact CB-CD1 4.03Å; N24-I645 HydrophobicContact CB-CG1 3.88Å; N560-I645 HydrophobicContact CB-CD1 4.2Å; N560-I645 WeakPolarHBondContact O-CD1 3.35Å; I645-R687 HydrophobicContact CB-CB 4.29Å; I645-R687 HydrophobicContact CG2-CB 4.2Å; I645-R687 PolarHBondContact O-N 2.98Å; I645-S688 PolarHBondContact N-OG 2.8Å; I645-V769 WeakPolarHBondContact CA-O 2.99Å; I645-V769 HydrophobicContact CG1-CG2 3.85Å; I645-D771 HydrophobicContact CG2-CB 3.6Å |
| 646 | V | 88.4 | Confident | 91.7 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.8 | 179.6 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | V685 F696 T731 I761 P768 V769 L770 D771 | V646-V685 CarbonylContact C-O 3.58Å; V646-V685 WeakPolarHBondContact CA-O 3.21Å; V646-F696 HydrophobicContact CB-CZ 4.33Å; V646-F696 HydrophobicContact CG1-CE1 4.23Å; V646-F696 HydrophobicContact CG1-CZ 4.41Å; V646-F696 HydrophobicContact CG2-CE1 4.4Å; V646-F696 HydrophobicContact CG2-CE2 4.3Å; V646-F696 HydrophobicContact CG2-CZ 3.86Å; V646-T731 HydrophobicContact CG1-CG2 4.46Å; V646-I761 HydrophobicContact CG2-CD1 3.98Å; V646-P768 HydrophobicContact CB-CB 4.38Å; V646-P768 HydrophobicContact CG1-CB 3.65Å; V646-P768 HydrophobicContact CG1-CG 4.01Å; V646-P768 HydrophobicContact CG2-CB 3.88Å; V646-P768 HydrophobicContact CG2-CG 3.99Å; V646-V769 PolarHBondContact N-O 3.02Å; V646-L770 HydrophobicContact CG2-CD2 4.29Å; V646-D771 PolarHBondContact O-N 3.2Å; V646-D771 VanDerWaalsContact O-N 3.09Å |
| 647 | Q | 89.8 | Confident | 91.1 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.6 | 170.8 | -68.3 | 176.7 | -10.6 | 0 | 0 | 110 | A684 V685 D771 W774 | Q647-A684 CarbonylContact O-C 3.58Å; Q647-A684 WeakPolarHBondContact O-CA 3.36Å; Q647-V685 PolarHBondContact N-O 2.89Å; Q647-V685 PolarHBondContact O-N 3.4Å; Q647-D771 HydrophobicContact CG-CB 3.76Å; Q647-D771 WeakPolarHBondContact CG-OD2 2.93Å; Q647-D771 PolarHBondContact NE2-OD2 3.01Å; Q647-W774 HydrophobicContact CB-CD2 4.16Å; Q647-W774 HydrophobicContact CB-CG 4.29Å; Q647-W774 HydrophobicContact CG-CD2 3.87Å; Q647-W774 HydrophobicContact CG-CE3 4.15Å; Q647-W774 HydrophobicContact CG-CG 4.1Å |
| 648 | I | 90.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.8 | 179.9 | -56.9 | 171.7 | 0 | 0 | 0 | 108.9 | V650 F682 F696 L698 F759 L770 W774 | I648-V650 HydrophobicContact CG2-CG2 3.88Å; I648-F682 HydrophobicContact CG2-CD1 4.41Å; I648-F696 HydrophobicContact CD1-CE2 4.5Å; I648-L698 HydrophobicContact CD1-CD1 3.7Å; I648-L698 HydrophobicContact CD1-CD2 3.41Å; I648-L698 VanDerWaalsContact CD1-CD2 3.41Å; I648-L698 HydrophobicContact CD1-CG 4.18Å; I648-L698 HydrophobicContact CG2-CD1 4.35Å; I648-F759 HydrophobicContact CB-CD2 4.35Å; I648-F759 HydrophobicContact CB-CE2 3.6Å; I648-F759 HydrophobicContact CB-CZ 3.93Å; I648-F759 HydrophobicContact CD1-CD2 3.74Å; I648-F759 HydrophobicContact CD1-CE2 3.71Å; I648-F759 HydrophobicContact CG1-CE2 4.2Å; I648-F759 HydrophobicContact CG2-CD2 4.3Å; I648-F759 HydrophobicContact CG2-CE2 3.86Å; I648-F759 HydrophobicContact CG2-CZ 3.97Å; I648-L770 HydrophobicContact CD1-CD2 3.38Å; I648-L770 HydrophobicContact CG1-CD2 3.97Å; I648-W774 PolarHBondContact O-NE1 3.43Å |
| 649 | N | 91.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 38 Ų | 38 | 37% | 0.369 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.1 | 174 | -74.1 | -34.5 | 0 | 0 | 0 | 110 | F682 T683 W774 | N649-F682 CarbonylContact O-C 3.45Å; N649-F682 WeakPolarHBondContact O-CA 3.38Å; N649-T683 PolarHBondContact N-O 3.25Å; N649-T683 PolarHBondContact O-N 3.02Å; N649-W774 VanDerWaalsContact OD1-CZ2 3.27Å; N649-W774 WeakPolarHBondContact OD1-CZ2 3.32Å |
| 650 | V | 92.9 | Very high | 89.2 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.5 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | I648 C681 F682 L757 F759 V778 | I648-V650 HydrophobicContact CG2-CG2 3.88Å; V650-C681 WeakPolarHBondContact CA-O 3.32Å; V650-F682 HydrophobicContact CG1-CD1 4.26Å; V650-F682 HydrophobicContact CG1-CE1 4Å; V650-F682 HydrophobicContact CG1-CZ 4.46Å; V650-F682 HydrophobicContact CG2-CD1 3.59Å; V650-F682 HydrophobicContact CG2-CE1 3.86Å; V650-L757 HydrophobicContact CG1-CD1 3.75Å; V650-F759 HydrophobicContact CB-CE1 4.45Å; V650-F759 HydrophobicContact CG2-CD1 4Å; V650-F759 HydrophobicContact CG2-CE1 3.45Å; V650-F759 VanDerWaalsContact CG2-CE1 3.45Å; V650-F759 HydrophobicContact CG2-CZ 3.98Å; V650-V778 HydrophobicContact CB-CG2 3.9Å; V650-V778 HydrophobicContact CG1-CG2 4.38Å |
| 651 | S | 92.7 | Very high | 88 | Confident | 69 Ų | 69 | 41 Ų | 41 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.7 | 172.6 | 73.8 | 0 | 0 | 0 | 0 | 111 | C681 | S651-C681 PolarHBondContact N-O 3.03Å; S651-C681 PolarHBondContact O-N 3.28Å; S651-C681 WeakPolarHBondContact OG-CB 3.33Å |
| 652 | L | 93.9 | Very high | 86.8 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.2 | -178 | -163.4 | 86.2 | 0 | 0 | 0 | 111.3 | F654 T679 A680 F755 L757 K780 | L652-F654 HydrophobicContact CD2-CE1 3.9Å; L652-F654 HydrophobicContact CD2-CE2 3.91Å; L652-F654 HydrophobicContact CD2-CZ 3.24Å; L652-F654 HydrophobicContact CG-CE1 4.35Å; L652-F654 HydrophobicContact CG-CE2 4.44Å; L652-F654 HydrophobicContact CG-CZ 3.97Å; L652-T679 WeakPolarHBondContact CA-O 3.26Å; L652-A680 HydrophobicContact CD1-CB 3.87Å; L652-F755 HydrophobicContact CD1-CD1 3.97Å; L652-F755 HydrophobicContact CD1-CE1 3.84Å; L652-F755 HydrophobicContact CD2-CB 4.12Å; L652-F755 HydrophobicContact CD2-CD1 3.62Å; L652-F755 HydrophobicContact CD2-CE1 4.34Å; L652-F755 HydrophobicContact CD2-CG 4.03Å; L652-F755 HydrophobicContact CG-CD1 4.45Å; L652-L757 HydrophobicContact CD1-CD1 3.64Å; L652-L757 HydrophobicContact CD1-CG 4.28Å; L652-K780 HydrophobicContact CB-CD 4.35Å; L652-K780 HydrophobicContact CD2-CB 3.91Å; L652-K780 HydrophobicContact CD2-CG 4.25Å; L652-K780 PolarHBondContact O-NZ 2.94Å |
| 653 | S | 93.3 | Very high | 85.7 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 47% | 0.469 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.7 | 176.1 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | A678 T679 | S653-A678 CarbonylContact O-C 3.51Å; S653-A678 WeakPolarHBondContact O-CA 3.23Å; S653-T679 PolarHBondContact N-O 3.09Å; S653-T679 PolarHBondContact O-N 3.41Å |
| 654 | F | 93.6 | Very high | 85.1 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.4 | -174.9 | -53.6 | -80.9 | 0 | 0 | 0 | 111.6 | L652 P656 N677 A678 F741 F755 K780 I782 | L652-F654 HydrophobicContact CD2-CE1 3.9Å; L652-F654 HydrophobicContact CD2-CE2 3.91Å; L652-F654 HydrophobicContact CD2-CZ 3.24Å; L652-F654 HydrophobicContact CG-CE1 4.35Å; L652-F654 HydrophobicContact CG-CE2 4.44Å; L652-F654 HydrophobicContact CG-CZ 3.97Å; F654-P656 CarbonylContact C-O 3.43Å; F654-N677 WeakPolarHBondContact CA-O 3.02Å; F654-A678 HydrophobicContact CD1-CB 3.74Å; F654-A678 HydrophobicContact CE1-CB 3.79Å; F654-F741 HydrophobicContact CD1-CE1 4.24Å; F654-F741 HydrophobicContact CD1-CZ 4.29Å; F654-F755 HydrophobicContact CE1-CB 3.88Å; F654-F755 AromaticContact CE1-CD2 3.79Å; F654-F755 HydrophobicContact CE1-CD2 3.79Å; F654-F755 AromaticContact CE1-CG 3.87Å; F654-F755 HydrophobicContact CE1-CG 3.87Å; F654-F755 HydrophobicContact CZ-CB 3.72Å; F654-F755 HydrophobicContact CZ-CD2 4.47Å; F654-F755 HydrophobicContact CZ-CG 4.11Å; F654-K780 HydrophobicContact CE2-CB 3.81Å; F654-K780 HydrophobicContact CE2-CD 4.19Å; F654-K780 HydrophobicContact CZ-CB 4.06Å; F654-I782 HydrophobicContact CD1-CD1 3.87Å; F654-I782 HydrophobicContact CD1-CG1 3.86Å; F654-I782 HydrophobicContact CD2-CG1 3.92Å; F654-I782 HydrophobicContact CE1-CD1 3.62Å; F654-I782 HydrophobicContact CE1-CG1 3.76Å; F654-I782 HydrophobicContact CE2-CG1 3.82Å; F654-I782 HydrophobicContact CG-CD1 4.43Å; F654-I782 HydrophobicContact CG-CG1 3.91Å; F654-I782 HydrophobicContact CZ-CD1 3.96Å; F654-I782 HydrophobicContact CZ-CG1 3.71Å |
| 655 | Q | 90.6 | Very high | 84.5 | Confident | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 120 | 175.5 | -171.6 | 174.7 | 2.8 | 0 | 0 | 110.6 | N677 | Q655-N677 PolarHBondContact N-O 3.17Å; Q655-N677 PolarHBondContact O-N 3.04Å |
| 656 | P | 87.8 | Confident | 84.1 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | S | Bend | cis | -61.3 | 164.3 | -10.6 | 27.8 | -35.8 | 0 | 0 | 0 | 113 | F654 S658 L676 | F654-P656 CarbonylContact C-O 3.43Å; P656-S658 VanDerWaalsContact C-N 3.25Å; P656-S658 WeakPolarHBondContact CG-O 3.5Å; P656-S658 PolarHBondContact O-N 3.13Å; P656-L676 HydrophobicContact CG-CD2 4.41Å; P656-L676 HydrophobicContact CG-CG 4.27Å |
| 657 | H | 82.3 | Confident | 83.7 | Confident | 151 Ų | 151 | 61.2 Ų | 61.2 | 70% | 0.699 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.3 | -11.5 | -177.2 | 64.8 | -82.5 | 0 | 0 | 0 | 113.6 | ||
| 658 | S | 83.8 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -143 | 160.6 | 177.3 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | P656 P783 | P656-S658 VanDerWaalsContact C-N 3.25Å; P656-S658 WeakPolarHBondContact CG-O 3.5Å; P656-S658 PolarHBondContact O-N 3.13Å; S658-P783 CarbonylContact C-O 3.53Å; S658-P783 WeakPolarHBondContact CA-O 3.37Å |
| 659 | I | 85.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.8 | -176.2 | -57.3 | 154.2 | 0 | 0 | 0 | 108.8 | V661 A674 L676 V743 I753 I782 P783 F784 F785 | I659-V661 PolarHBondContact O-N 2.82Å; I659-A674 HydrophobicContact CG2-CB 3.71Å; I659-L676 HydrophobicContact CG1-CD1 3.85Å; I659-L676 HydrophobicContact CG1-CD2 3.74Å; I659-L676 HydrophobicContact CG1-CG 4.47Å; I659-V743 HydrophobicContact CD1-CG2 3.99Å; I659-V743 HydrophobicContact CG1-CG2 4.26Å; I659-V743 HydrophobicContact CG2-CB 4.32Å; I659-V743 HydrophobicContact CG2-CG1 4.43Å; I659-V743 HydrophobicContact CG2-CG2 4.26Å; I659-I753 HydrophobicContact CD1-CB 4.28Å; I659-I753 HydrophobicContact CD1-CD1 3.52Å; I659-I753 HydrophobicContact CD1-CG1 3.8Å; I659-I782 HydrophobicContact CD1-CB 4.22Å; I659-I782 HydrophobicContact CD1-CG2 3.81Å; I659-I782 HydrophobicContact CG1-CG2 3.81Å; I659-P783 PolarHBondContact N-O 3.07Å; I659-F784 HydrophobicContact CB-CD1 3.59Å; I659-F784 HydrophobicContact CB-CE1 3.91Å; I659-F784 HydrophobicContact CB-CG 4.28Å; I659-F784 HydrophobicContact CD1-CD1 4.15Å; I659-F784 HydrophobicContact CD1-CE1 3.82Å; I659-F784 HydrophobicContact CD1-CE2 4.39Å; I659-F784 HydrophobicContact CD1-CZ 3.96Å; I659-F784 HydrophobicContact CG1-CD1 4.5Å; I659-F784 HydrophobicContact CG1-CE1 4.48Å; I659-F784 HydrophobicContact CG2-CD1 3.61Å; I659-F784 HydrophobicContact CG2-CE1 3.63Å; I659-F784 CarbonylContact O-C 3.57Å; I659-F784 WeakPolarHBondContact O-CA 3.07Å; I659-F785 PolarHBondContact O-N 3.37Å |
| 660 | N | 75.4 | Confident | 81 | Confident | 34 Ų | 34 | 68.4 Ų | 68.4 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.6 | 173.2 | -165.1 | -36.6 | 0 | 0 | 0 | 110.4 | I662 Q663 | N660-I662 PolarHBondContact OD1-N 3.11Å; N660-Q663 HydrophobicContact CB-CB 4.28Å; N660-Q663 PolarHBondContact ND2-OE1 3.22Å; N660-Q663 PolarHBondContact OD1-N 3.38Å |
| 661 | V | 68.7 | Low | 80.2 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -76.5 | -30.2 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | I659 K664 Y749 F784 F785 | I659-V661 PolarHBondContact O-N 2.82Å; V661-K664 PolarHBondContact O-NZ 3.35Å; V661-Y749 HydrophobicContact CB-CD1 4.4Å; V661-Y749 HydrophobicContact CG1-CD1 3.83Å; V661-Y749 HydrophobicContact CG1-CD2 3.89Å; V661-Y749 HydrophobicContact CG1-CE1 3.69Å; V661-Y749 HydrophobicContact CG1-CE2 3.72Å; V661-Y749 HydrophobicContact CG1-CG 3.93Å; V661-Y749 HydrophobicContact CG2-CD1 3.68Å; V661-Y749 HydrophobicContact CG2-CE1 4.25Å; V661-Y749 HydrophobicContact CG2-CG 3.89Å; V661-F784 HydrophobicContact CG2-CB 3.9Å; V661-F784 HydrophobicContact CG2-CD1 3.81Å; V661-F784 HydrophobicContact CG2-CG 4.25Å; V661-F785 WeakPolarHBondContact CG2-O 3.39Å |
| 662 | I | 65.7 | Low | 79.5 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -96 | -49.2 | -171.2 | -52.7 | 135.2 | 0 | 0 | 0 | 110.5 | N660 K664 D787 | N660-I662 PolarHBondContact OD1-N 3.11Å; I662-K664 PolarHBondContact O-N 3.43Å; I662-D787 HydrophobicContact CD1-CB 3.39Å; I662-D787 HydrophobicContact CG1-CB 4.24Å |
| 663 | Q | 69.1 | Low | 79.1 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | trans | -83.9 | 100.4 | 178.8 | -67 | -179.8 | -9.7 | 0 | 0 | 110.4 | N660 T665 | N660-Q663 HydrophobicContact CB-CB 4.28Å; N660-Q663 PolarHBondContact ND2-OE1 3.22Å; N660-Q663 PolarHBondContact OD1-N 3.38Å; Q663-T665 PolarHBondContact O-N 3.4Å | ||
| 664 | K | 74.9 | Confident | 78.8 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | trans | -79.6 | 113.1 | 171.6 | -54.4 | -57.2 | -168.9 | -160.3 | 0 | 109.3 | V661 I662 E672 S673 D745 | V661-K664 PolarHBondContact O-NZ 3.35Å; I662-K664 PolarHBondContact O-N 3.43Å; K664-E672 HydrophobicContact CB-CB 3.68Å; K664-E672 HydrophobicContact CG-CB 3.76Å; K664-S673 CarbonylContact C-O 3.53Å; K664-D745 WeakPolarHBondContact CE-OD1 3.29Å; K664-D745 IonicContact NZ-OD1 2.66Å; K664-D745 PolarHBondContact NZ-OD1 2.85Å | ||
| 665 | T | 74.9 | Confident | 78.6 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | trans | -83.5 | -9.4 | -171.2 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | Q663 S673 C675 | Q663-T665 PolarHBondContact O-N 3.4Å; T665-S673 PolarHBondContact N-O 3.5Å; T665-S673 VanDerWaalsContact N-O 3.11Å; T665-C675 PolarHBondContact OG1-N 3.08Å | ||
| 666 | C | 81.2 | Confident | 78.6 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 166.6 | -177.6 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | S673 C675 | C666-S673 PolarHBondContact N-O 2.64Å; C666-S673 VanDerWaalsContact N-O 3.15Å; C666-S673 PolarHBondContact O-N 3.23Å; C666-S673 VanDerWaalsContact O-O 3.12Å; C666-S673 PolarHBondContact SG-O 2.69Å; C666-S673 VanDerWaalsContact SG-O 3.33Å; C666-C675 HydrophobicContact CB-CB 3.83Å; C666-C675 WeakPolarHBondContact CB-SG 3.33Å; C666-C675 WeakPolarHBondContact SG-CB 3.41Å; C666-C675 CovalentContact SG-SG 2.01Å; C666-C675 PolarHBondContact SG-SG 3.37Å |
| 667 | Q | 80 | Confident | 78.9 | Confident | 128 Ų | 128 | 68 Ų | 68 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.9 | 166.5 | -86.5 | -175.1 | -13.4 | 0 | 0 | 110.9 | R671 E672 | Q667-R671 WeakPolarHBondContact CA-O 3.5Å; Q667-E672 HydrophobicContact CG-CG 4.04Å |
| 668 | R | 79.1 | Confident | 79.5 | Confident | 105 Ų | 105 | 60.8 Ų | 60.8 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 127 | 176.4 | -66.3 | -66.6 | -175 | -111.6 | 6.5 | 109.4 | G670 R671 D716 H742 | R668-G670 VanDerWaalsContact C-N 3.26Å; R668-G670 PolarHBondContact O-N 3.49Å; R668-R671 PolarHBondContact N-O 2.88Å; R668-R671 PolarHBondContact O-N 2.78Å; R668-R671 VanDerWaalsContact O-N 3.14Å; R668-D716 IonicContact CZ-OD2 2.84Å; R668-D716 IonicContact NE-OD1 3.05Å; R668-D716 IonicContact NE-OD2 3.77Å; R668-D716 PolarHBondContact NE-OD2 3.38Å; R668-D716 IonicContact NH2-OD2 3.87Å; R668-D716 PolarHBondContact NH2-OD2 3.19Å; R668-H742 HydrophobicContact CG-CB 4.22Å |
| 669 | G | 66.8 | Low | 80 | Confident | 83 Ų | 83 | 61 Ų | 61 | 86% | 0.856 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R671 | G669-R671 VanDerWaalsContact C-N 3.29Å; G669-R671 PolarHBondContact O-N 3.17Å |
| 670 | G | 69.6 | Low | 80.5 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 76% | 0.763 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 8.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R668 | R668-G670 VanDerWaalsContact C-N 3.26Å; R668-G670 PolarHBondContact O-N 3.49Å |
| 671 | R | 74.4 | Confident | 81.4 | Confident | 172 Ų | 172 | 59.9 Ų | 59.9 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.6 | 176.4 | -63 | -178.4 | -179.1 | -175.6 | -0.5 | 110.7 | Q667 R668 G669 S673 | Q667-R671 WeakPolarHBondContact CA-O 3.5Å; R668-R671 PolarHBondContact N-O 2.88Å; R668-R671 PolarHBondContact O-N 2.78Å; R668-R671 VanDerWaalsContact O-N 3.14Å; G669-R671 VanDerWaalsContact C-N 3.29Å; G669-R671 PolarHBondContact O-N 3.17Å; R671-S673 PolarHBondContact O-OG 2.75Å |
| 672 | E | 78.4 | Confident | 82.6 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.7 | 169.7 | -64.3 | -170.4 | 165.7 | 0 | 0 | 110 | K664 Q667 | K664-E672 HydrophobicContact CB-CB 3.68Å; K664-E672 HydrophobicContact CG-CB 3.76Å; Q667-E672 HydrophobicContact CG-CG 4.04Å |
| 673 | S | 85.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 158.1 | -172.6 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | K664 T665 C666 R671 V743 | K664-S673 CarbonylContact C-O 3.53Å; T665-S673 PolarHBondContact N-O 3.5Å; T665-S673 VanDerWaalsContact N-O 3.11Å; C666-S673 PolarHBondContact N-O 2.64Å; C666-S673 VanDerWaalsContact N-O 3.15Å; C666-S673 PolarHBondContact O-N 3.23Å; C666-S673 VanDerWaalsContact O-O 3.12Å; C666-S673 PolarHBondContact SG-O 2.69Å; C666-S673 VanDerWaalsContact SG-O 3.33Å; R671-S673 PolarHBondContact O-OG 2.75Å; S673-V743 WeakPolarHBondContact CB-O 3.34Å |
| 674 | A | 87.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 112.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | I659 L676 H742 V743 | I659-A674 HydrophobicContact CG2-CB 3.71Å; A674-L676 HydrophobicContact CB-CD1 4.5Å; A674-L676 WeakPolarHBondContact O-CD1 3.41Å; A674-H742 CarbonylContact O-C 3.08Å; A674-H742 WeakPolarHBondContact O-CA 3.5Å; A674-V743 HydrophobicContact CB-CB 4.43Å; A674-V743 PolarHBondContact N-O 2.8Å; A674-V743 PolarHBondContact O-N 2.81Å |
| 675 | C | 88.8 | Confident | 85.4 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.3 | 178.9 | -81.3 | 0 | 0 | 0 | 0 | 111.7 | T665 C666 | T665-C675 PolarHBondContact OG1-N 3.08Å; C666-C675 HydrophobicContact CB-CB 3.83Å; C666-C675 WeakPolarHBondContact CB-SG 3.33Å; C666-C675 WeakPolarHBondContact SG-CB 3.41Å; C666-C675 CovalentContact SG-SG 2.01Å; C666-C675 PolarHBondContact SG-SG 3.37Å |
| 676 | L | 92.1 | Very high | 86 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154 | 178.1 | -65.3 | 91.4 | 0 | 0 | 0 | 110 | P656 I659 A674 F741 V743 I782 | P656-L676 HydrophobicContact CG-CD2 4.41Å; P656-L676 HydrophobicContact CG-CG 4.27Å; I659-L676 HydrophobicContact CG1-CD1 3.85Å; I659-L676 HydrophobicContact CG1-CD2 3.74Å; I659-L676 HydrophobicContact CG1-CG 4.47Å; A674-L676 HydrophobicContact CB-CD1 4.5Å; A674-L676 WeakPolarHBondContact O-CD1 3.41Å; L676-F741 HydrophobicContact CB-CD1 4.32Å; L676-F741 HydrophobicContact CB-CD2 4.46Å; L676-F741 HydrophobicContact CB-CE1 3.68Å; L676-F741 HydrophobicContact CB-CE2 3.87Å; L676-F741 HydrophobicContact CB-CZ 3.43Å; L676-F741 VanDerWaalsContact CB-CZ 3.43Å; L676-F741 HydrophobicContact CD1-CE2 4.14Å; L676-F741 HydrophobicContact CD1-CZ 4.45Å; L676-F741 HydrophobicContact CD2-CE2 4.46Å; L676-F741 HydrophobicContact CD2-CZ 4.08Å; L676-F741 HydrophobicContact CG-CE2 4.39Å; L676-F741 HydrophobicContact CG-CZ 4.19Å; L676-F741 PolarHBondContact N-O 2.82Å; L676-F741 WeakPolarHBondContact O-CD1 3.46Å; L676-F741 PolarHBondContact O-N 3.39Å; L676-V743 HydrophobicContact CD1-CG2 3.86Å; L676-I782 HydrophobicContact CD2-CG2 3.89Å |
| 677 | N | 92.6 | Very high | 86.2 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.6 | 170.4 | -77.9 | -26.2 | 0 | 0 | 0 | 109.9 | F654 Q655 P740 | F654-N677 WeakPolarHBondContact CA-O 3.02Å; Q655-N677 PolarHBondContact N-O 3.17Å; Q655-N677 PolarHBondContact O-N 3.04Å; N677-P740 VanDerWaalsContact OD1-CA 3.25Å; N677-P740 WeakPolarHBondContact OD1-CA 3.24Å; N677-P740 VanDerWaalsContact OD1-CB 3.29Å; N677-P740 WeakPolarHBondContact OD1-CB 3.24Å |
| 678 | A | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S653 F654 K738 L739 F741 F755 | S653-A678 CarbonylContact O-C 3.51Å; S653-A678 WeakPolarHBondContact O-CA 3.23Å; F654-A678 HydrophobicContact CD1-CB 3.74Å; F654-A678 HydrophobicContact CE1-CB 3.79Å; A678-K738 CarbonylContact O-C 3.2Å; A678-K738 WeakPolarHBondContact O-CA 3.16Å; A678-L739 HydrophobicContact CB-CB 4.32Å; A678-L739 PolarHBondContact N-O 2.98Å; A678-L739 PolarHBondContact O-N 3.2Å; A678-F741 HydrophobicContact CB-CD1 4.3Å; A678-F741 HydrophobicContact CB-CE1 3.89Å; A678-F755 HydrophobicContact CB-CD2 4.16Å; A678-F755 HydrophobicContact CB-CE2 3.58Å; A678-F755 HydrophobicContact CB-CZ 3.87Å |
| 679 | T | 95.8 | Very high | 86.2 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.4 | 169.9 | -53 | 0 | 0 | 0 | 0 | 108.7 | L652 S653 C736 Y737 | L652-T679 WeakPolarHBondContact CA-O 3.26Å; S653-T679 PolarHBondContact N-O 3.09Å; S653-T679 PolarHBondContact O-N 3.41Å; T679-C736 HydrophobicContact CG2-CB 4.25Å; T679-Y737 WeakPolarHBondContact CA-O 3.41Å |
| 680 | A | 95.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L652 F682 C736 Y737 L739 L757 | L652-A680 HydrophobicContact CD1-CB 3.87Å; A680-F682 HydrophobicContact CB-CE2 3.92Å; A680-F682 HydrophobicContact CB-CZ 4.17Å; A680-C736 CarbonylContact O-C 3.55Å; A680-C736 WeakPolarHBondContact O-CA 3.46Å; A680-Y737 PolarHBondContact N-O 3.4Å; A680-Y737 PolarHBondContact O-N 2.89Å; A680-L739 HydrophobicContact CB-CD1 4.28Å; A680-L757 HydrophobicContact CB-CD1 3.7Å |
| 681 | C | 94.2 | Very high | 85.6 | Confident | 15 Ų | 15 | 42 Ų | 42 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.7 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | V650 S651 T734 L735 C736 | V650-C681 WeakPolarHBondContact CA-O 3.32Å; S651-C681 PolarHBondContact N-O 3.03Å; S651-C681 PolarHBondContact O-N 3.28Å; S651-C681 WeakPolarHBondContact OG-CB 3.33Å; C681-T734 HydrophobicContact CB-CG2 3.84Å; C681-L735 CarbonylContact C-O 3.26Å; C681-L735 VanDerWaalsContact CA-O 3.27Å; C681-L735 WeakPolarHBondContact CA-O 3.41Å; C681-C736 HydrophobicContact CB-CB 4.08Å; C681-C736 WeakPolarHBondContact CB-SG 3.45Å; C681-C736 WeakPolarHBondContact SG-CB 3.39Å; C681-C736 CovalentContact SG-SG 2.04Å; C681-C736 PolarHBondContact SG-SG 3.06Å |
| 682 | F | 93.3 | Very high | 84.7 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | -179.2 | -56.7 | -94.7 | 0 | 0 | 0 | 108.8 | I648 N649 V650 A680 V700 L725 V727 T734 L735 Y737 L757 | I648-F682 HydrophobicContact CG2-CD1 4.41Å; N649-F682 CarbonylContact O-C 3.45Å; N649-F682 WeakPolarHBondContact O-CA 3.38Å; V650-F682 HydrophobicContact CG1-CD1 4.26Å; V650-F682 HydrophobicContact CG1-CE1 4Å; V650-F682 HydrophobicContact CG1-CZ 4.46Å; V650-F682 HydrophobicContact CG2-CD1 3.59Å; V650-F682 HydrophobicContact CG2-CE1 3.86Å; A680-F682 HydrophobicContact CB-CE2 3.92Å; A680-F682 HydrophobicContact CB-CZ 4.17Å; F682-V700 HydrophobicContact CE1-CG1 4.01Å; F682-V700 HydrophobicContact CE1-CG2 3.85Å; F682-V700 HydrophobicContact CZ-CB 4.46Å; F682-V700 HydrophobicContact CZ-CG1 3.84Å; F682-V700 HydrophobicContact CZ-CG2 4.04Å; F682-L725 HydrophobicContact CE2-CD2 4.24Å; F682-V727 HydrophobicContact CB-CG1 4.43Å; F682-V727 HydrophobicContact CD2-CG1 4.23Å; F682-V727 HydrophobicContact CD2-CG2 4.24Å; F682-V727 HydrophobicContact CE2-CG2 4.09Å; F682-V727 HydrophobicContact CG-CG1 4.3Å; F682-V727 HydrophobicContact CZ-CG2 4.49Å; F682-T734 WeakPolarHBondContact O-CA 3.26Å; F682-L735 PolarHBondContact N-O 3.48Å; F682-L735 PolarHBondContact O-N 3.4Å; F682-Y737 HydrophobicContact CD2-CD2 4.12Å; F682-Y737 HydrophobicContact CD2-CE2 4.41Å; F682-Y737 HydrophobicContact CE2-CD2 4.1Å; F682-L757 HydrophobicContact CZ-CD1 4.14Å |
| 683 | T | 91.4 | Very high | 83.7 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 114 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 108.3 | N649 T734 | N649-T683 PolarHBondContact N-O 3.25Å; N649-T683 PolarHBondContact O-N 3.02Å; T683-T734 WeakPolarHBondContact OG1-CG2 3.49Å; T683-T734 PolarHBondContact OG1-OG1 3.05Å |
| 684 | A | 89.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q647 F696 A729 T731 R732 | Q647-A684 CarbonylContact O-C 3.58Å; Q647-A684 WeakPolarHBondContact O-CA 3.36Å; A684-F696 HydrophobicContact CB-CE1 4.22Å; A684-F696 HydrophobicContact CB-CZ 3.73Å; A684-A729 HydrophobicContact CB-CB 4.3Å; A684-T731 CarbonylContact O-C 3.52Å; A684-T731 WeakPolarHBondContact O-CA 3.31Å; A684-R732 PolarHBondContact O-N 2.61Å |
| 685 | V | 88.7 | Confident | 82.4 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.4 | 176.6 | -175 | 0 | 0 | 0 | 0 | 107.8 | V646 Q647 | V646-V685 CarbonylContact C-O 3.58Å; V646-V685 WeakPolarHBondContact CA-O 3.21Å; Q647-V685 PolarHBondContact N-O 2.89Å; Q647-V685 PolarHBondContact O-N 3.4Å |
| 686 | S | 86.7 | Confident | 82.3 | Confident | 44 Ų | 44 | 42 Ų | 42 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.9 | 173 | -170.8 | 0 | 0 | 0 | 0 | 109.4 | S688 | S686-S688 PolarHBondContact OG-N 3.19Å; S686-S688 PolarHBondContact OG-O 2.96Å; S686-S688 VanDerWaalsContact OG-O 3.08Å |
| 687 | R | 85.5 | Confident | 82.1 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | trans | -91.2 | -35.8 | 167.5 | -168 | -179 | -173.4 | 159.5 | 10.5 | 111 | N560 H561 I645 D771 | N560-R687 VanDerWaalsContact O-CD 3.31Å; N560-R687 WeakPolarHBondContact O-CD 3.17Å; N560-R687 PolarHBondContact O-NE 2.83Å; H561-R687 HydrophobicContact CB-CG 4.17Å; H561-R687 WeakPolarHBondContact O-CG 3.41Å; H561-R687 PolarHBondContact O-NE 2.94Å; I645-R687 HydrophobicContact CB-CB 4.29Å; I645-R687 HydrophobicContact CG2-CB 4.2Å; I645-R687 PolarHBondContact O-N 2.98Å; R687-D771 IonicContact NH1-OD1 3.19Å; R687-D771 PolarHBondContact NH1-OD1 2.64Å; R687-D771 IonicContact NH1-OD2 2.68Å; R687-D771 PolarHBondContact NH1-OD2 3.42Å | ||
| 688 | S | 84.4 | Confident | 82 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -66.2 | 145.8 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | H561 S644 I645 S686 | H561-S688 PolarHBondContact CD2-OG 2.87Å; S644-S688 WeakPolarHBondContact CA-OG 3.14Å; I645-S688 PolarHBondContact N-OG 2.8Å; S686-S688 PolarHBondContact OG-N 3.19Å; S686-S688 PolarHBondContact OG-O 2.96Å; S686-S688 VanDerWaalsContact OG-O 3.08Å |
| 689 | P | 75.9 | Confident | 81.8 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 41% | 0.409 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -64.1 | 164.3 | 172.4 | 27.3 | -32 | 0 | 0 | 0 | 111.8 | H561 L626 | H561-P689 VanDerWaalsContact CE1-CD 3.44Å; H561-P689 WeakPolarHBondContact CE1-CD 3.31Å; H561-P689 WeakPolarHBondContact ND1-CD 3.4Å; L626-P689 HydrophobicContact CD2-CG 4.38Å |
| 690 | G | 67.9 | Low | 81.6 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 98.1 | 160 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E625 H692 | E625-G690 WeakPolarHBondContact OE2-CA 3.34Å; E625-G690 PolarHBondContact OE2-N 2.95Å; G690-H692 PolarHBondContact O-N 2.82Å |
| 691 | P | 56 | Low | 81.5 | Confident | 105 Ų | 105 | 46.2 Ų | 46.2 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | trans | -81.4 | 8.5 | -174.3 | 32.5 | -34.6 | 0 | 0 | 0 | 114.1 | S693 | P691-S693 VanDerWaalsContact C-N 3.27Å; P691-S693 PolarHBondContact O-N 2.82Å | ||
| 692 | H | 55.4 | Low | 81.5 | Confident | 100 Ų | 100 | 45.5 Ų | 45.5 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | trans | -63.2 | 81.1 | -172.9 | -71.3 | 95.7 | 0 | 0 | 0 | 112.8 | G690 N694 | G690-H692 PolarHBondContact O-N 2.82Å; H692-N694 VanDerWaalsContact C-N 3.31Å; H692-N694 PolarHBondContact O-N 3.46Å | ||
| 693 | S | 56.3 | Low | 81.5 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | trans | -89.6 | 59.2 | 173 | 162 | 0 | 0 | 0 | 0 | 110 | P691 Q730 | P691-S693 VanDerWaalsContact C-N 3.27Å; P691-S693 PolarHBondContact O-N 2.82Å; S693-Q730 PolarHBondContact OG-NE2 2.88Å | ||
| 694 | N | 66.1 | Low | 81.5 | Confident | 118 Ų | 118 | 44 Ų | 44 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | trans | -84.8 | 129.9 | 172.8 | -71.8 | -18.8 | 0 | 0 | 0 | 109.9 | H692 F696 | H692-N694 VanDerWaalsContact C-N 3.31Å; H692-N694 PolarHBondContact O-N 3.46Å; N694-F696 WeakPolarHBondContact O-CD1 3.38Å | ||
| 695 | A | 79.5 | Confident | 81.4 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 35% | 0.347 | 25% | 0.253 | S | S | . | . | trans | -72.5 | 128.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R728 A729 Q730 | A695-R728 HydrophobicContact CB-CG 4.07Å; A695-A729 CarbonylContact C-O 3.48Å; A695-A729 WeakPolarHBondContact CA-O 3.4Å; A695-Q730 HydrophobicContact CB-CB 4.44Å | ||
| 696 | F | 86.8 | Confident | 80.6 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.9 | -179.3 | 56.6 | -91.2 | 0 | 0 | 0 | 110.9 | V646 I648 A684 N694 L698 R728 A729 T731 I761 P768 | V646-F696 HydrophobicContact CB-CZ 4.33Å; V646-F696 HydrophobicContact CG1-CE1 4.23Å; V646-F696 HydrophobicContact CG1-CZ 4.41Å; V646-F696 HydrophobicContact CG2-CE1 4.4Å; V646-F696 HydrophobicContact CG2-CE2 4.3Å; V646-F696 HydrophobicContact CG2-CZ 3.86Å; I648-F696 HydrophobicContact CD1-CE2 4.5Å; A684-F696 HydrophobicContact CB-CE1 4.22Å; A684-F696 HydrophobicContact CB-CZ 3.73Å; N694-F696 WeakPolarHBondContact O-CD1 3.38Å; F696-L698 HydrophobicContact CD2-CD2 4.08Å; F696-L698 HydrophobicContact CD2-CG 4.17Å; F696-L698 HydrophobicContact CE2-CD1 4.33Å; F696-L698 HydrophobicContact CE2-CD2 3.8Å; F696-L698 HydrophobicContact CE2-CG 3.95Å; F696-R728 CarbonylContact O-C 3.34Å; F696-A729 HydrophobicContact CD2-CB 4.16Å; F696-A729 HydrophobicContact CE1-CB 4.42Å; F696-A729 HydrophobicContact CE2-CB 3.72Å; F696-A729 HydrophobicContact CZ-CB 3.87Å; F696-A729 PolarHBondContact N-O 3.12Å; F696-A729 PolarHBondContact O-N 2.8Å; F696-T731 HydrophobicContact CE1-CG2 4.47Å; F696-I761 HydrophobicContact CD2-CG1 4.39Å; F696-I761 HydrophobicContact CE2-CG1 4.47Å; F696-P768 HydrophobicContact CB-CG 4.23Å; F696-P768 HydrophobicContact CD1-CG 3.62Å; F696-P768 HydrophobicContact CD2-CG 4.31Å; F696-P768 HydrophobicContact CE1-CG 3.98Å; F696-P768 HydrophobicContact CG-CG 3.8Å; F696-P768 HydrophobicContact CZ-CG 4.45Å |
| 697 | D | 88.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.3 | -178.3 | -68.8 | -31.3 | 0 | 0 | 0 | 111.1 | R728 N762 | D697-R728 WeakPolarHBondContact OD1-CB 3Å; D697-R728 WeakPolarHBondContact OD1-CG 3.47Å; D697-N762 HydrophobicContact CB-CB 4.05Å; D697-N762 WeakPolarHBondContact O-CB 3.47Å; D697-N762 PolarHBondContact O-N 3.35Å |
| 698 | L | 89.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.9 | 171.3 | -66.3 | 174.9 | 0 | 0 | 0 | 109.8 | I648 F696 V700 V727 A729 K760 I761 | I648-L698 HydrophobicContact CD1-CD1 3.7Å; I648-L698 HydrophobicContact CD1-CD2 3.41Å; I648-L698 VanDerWaalsContact CD1-CD2 3.41Å; I648-L698 HydrophobicContact CD1-CG 4.18Å; I648-L698 HydrophobicContact CG2-CD1 4.35Å; F696-L698 HydrophobicContact CD2-CD2 4.08Å; F696-L698 HydrophobicContact CD2-CG 4.17Å; F696-L698 HydrophobicContact CE2-CD1 4.33Å; F696-L698 HydrophobicContact CE2-CD2 3.8Å; F696-L698 HydrophobicContact CE2-CG 3.95Å; L698-V700 HydrophobicContact CB-CG2 4.16Å; L698-V727 HydrophobicContact CB-CB 4.09Å; L698-V727 WeakPolarHBondContact CB-O 3.39Å; L698-V727 HydrophobicContact CD1-CG1 4.41Å; L698-V727 PolarHBondContact N-O 3.06Å; L698-V727 PolarHBondContact O-N 3.08Å; L698-A729 HydrophobicContact CD1-CB 3.68Å; L698-A729 HydrophobicContact CG-CB 4.09Å; L698-K760 CarbonylContact C-O 3.06Å; L698-K760 WeakPolarHBondContact CA-O 3.38Å; L698-I761 HydrophobicContact CD2-CB 4.47Å; L698-I761 HydrophobicContact CD2-CG1 3.74Å |
| 699 | W | 90.3 | Very high | 77.8 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 104 | 167.8 | -169.2 | -90.4 | 0 | 0 | 0 | 109.2 | Q724 F759 K760 N762 | W699-Q724 HydrophobicContact CH2-CB 4.22Å; W699-Q724 HydrophobicContact CZ2-CB 3.68Å; W699-Q724 HydrophobicContact CZ2-CG 3.69Å; W699-F759 WeakPolarHBondContact O-CA 2.88Å; W699-K760 HydrophobicContact CB-CG 3.87Å; W699-K760 PolarHBondContact N-O 3.18Å; W699-K760 PolarHBondContact O-N 3.43Å; W699-N762 HydrophobicContact CB-CB 4.43Å |
| 700 | V | 92.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.4 | -178.9 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | F682 L698 Q724 L725 V727 L757 R758 F759 | F682-V700 HydrophobicContact CE1-CG1 4.01Å; F682-V700 HydrophobicContact CE1-CG2 3.85Å; F682-V700 HydrophobicContact CZ-CB 4.46Å; F682-V700 HydrophobicContact CZ-CG1 3.84Å; F682-V700 HydrophobicContact CZ-CG2 4.04Å; L698-V700 HydrophobicContact CB-CG2 4.16Å; V700-Q724 CarbonylContact O-C 3.57Å; V700-Q724 WeakPolarHBondContact O-CA 3.21Å; V700-Q724 PolarHBondContact O-OE1 3.47Å; V700-L725 HydrophobicContact CB-CB 4.27Å; V700-L725 WeakPolarHBondContact CB-O 3.22Å; V700-L725 PolarHBondContact N-O 3.21Å; V700-L725 VanDerWaalsContact N-O 3.08Å; V700-L725 PolarHBondContact O-N 2.83Å; V700-V727 HydrophobicContact CB-CG2 4.49Å; V700-V727 HydrophobicContact CG2-CB 4.18Å; V700-V727 HydrophobicContact CG2-CG2 3.72Å; V700-L757 HydrophobicContact CG1-CD2 4.06Å; V700-R758 CarbonylContact C-O 3.51Å; V700-R758 WeakPolarHBondContact CA-O 3.16Å; V700-F759 HydrophobicContact CB-CB 4.41Å; V700-F759 HydrophobicContact CG1-CB 4.38Å; V700-F759 HydrophobicContact CG2-CB 3.89Å |
| 701 | S | 93.4 | Very high | 78.1 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.2 | 170.9 | -166.3 | 0 | 0 | 0 | 0 | 110.6 | Q722 M723 Q724 L757 R758 | S701-Q722 PolarHBondContact OG-NE2 2.04Å; S701-M723 WeakPolarHBondContact CA-O 3.36Å; S701-M723 PolarHBondContact OG-O 2.67Å; S701-Q724 VanDerWaalsContact CB-OE1 3.28Å; S701-Q724 PolarHBondContact OG-NE2 3.04Å; S701-Q724 PolarHBondContact OG-OE1 2.86Å; S701-L757 CarbonylContact O-C 3.59Å; S701-L757 WeakPolarHBondContact O-CA 3.39Å; S701-R758 PolarHBondContact N-O 3.13Å; S701-R758 PolarHBondContact O-N 3.32Å |
| 702 | A | 93.8 | Very high | 79.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F715 Q722 M723 L739 F755 S756 L757 | A702-F715 HydrophobicContact CB-CE1 4.4Å; A702-F715 HydrophobicContact CB-CE2 4.21Å; A702-F715 HydrophobicContact CB-CZ 3.65Å; A702-F715 WeakPolarHBondContact O-CE2 3.45Å; A702-Q722 CarbonylContact O-C 3.59Å; A702-Q722 VanDerWaalsContact O-CA 3.24Å; A702-Q722 WeakPolarHBondContact O-CA 3.44Å; A702-M723 HydrophobicContact CB-CG 3.85Å; A702-M723 PolarHBondContact N-O 3.48Å; A702-M723 PolarHBondContact O-N 3Å; A702-L739 HydrophobicContact CB-CD1 4.38Å; A702-F755 HydrophobicContact CB-CE1 4.25Å; A702-F755 HydrophobicContact CB-CZ 4.23Å; A702-S756 CarbonylContact C-O 3.49Å; A702-S756 WeakPolarHBondContact CA-O 3.26Å; A702-L757 HydrophobicContact CB-CD2 3.5Å |
| 703 | T | 93.7 | Very high | 81.2 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.2 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 110.8 | D706 R721 S756 | T703-D706 HydrophobicContact CG2-CB 4.06Å; T703-R721 WeakPolarHBondContact CA-O 3.4Å; T703-S756 WeakPolarHBondContact CB-OG 3.13Å; T703-S756 PolarHBondContact N-O 3.31Å; T703-S756 PolarHBondContact O-N 2.89Å; T703-S756 PolarHBondContact O-OG 3.49Å |
| 704 | L | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134.7 | 172.1 | -68.1 | 162.9 | 0 | 0 | 0 | 109.6 | D706 A713 F715 R721 F741 I753 S754 F755 | L704-D706 PolarHBondContact O-N 3.44Å; L704-A713 HydrophobicContact CB-CB 4.28Å; L704-A713 HydrophobicContact CD1-CB 3.99Å; L704-A713 HydrophobicContact CD2-CB 4.34Å; L704-A713 HydrophobicContact CG-CB 4.44Å; L704-F715 HydrophobicContact CD1-CD1 3.94Å; L704-F715 HydrophobicContact CD1-CD2 3.84Å; L704-F715 HydrophobicContact CD1-CE1 3.88Å; L704-F715 HydrophobicContact CD1-CE2 3.75Å; L704-F715 HydrophobicContact CD1-CG 3.94Å; L704-F715 HydrophobicContact CD1-CZ 3.78Å; L704-F715 HydrophobicContact CD2-CZ 4.42Å; L704-F715 HydrophobicContact CG-CD2 4.4Å; L704-F715 HydrophobicContact CG-CE1 4.14Å; L704-F715 HydrophobicContact CG-CE2 3.8Å; L704-F715 HydrophobicContact CG-CZ 3.66Å; L704-R721 PolarHBondContact N-O 3.3Å; L704-F741 HydrophobicContact CD1-CB 3.86Å; L704-F741 HydrophobicContact CD1-CD2 4.22Å; L704-F741 HydrophobicContact CD1-CG 4.18Å; L704-F741 HydrophobicContact CD2-CD2 4.1Å; L704-F741 HydrophobicContact CD2-CE2 4.3Å; L704-F741 HydrophobicContact CD2-CG 4.38Å; L704-I753 HydrophobicContact CD2-CG2 4.33Å; L704-S754 CarbonylContact C-O 3.55Å; L704-F755 HydrophobicContact CD2-CD2 3.38Å; L704-F755 HydrophobicContact CD2-CE2 3.87Å; L704-F755 HydrophobicContact CD2-CG 4.24Å; L704-F755 HydrophobicContact CG-CD2 4.38Å |
| 705 | D | 87.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 53.2 | 47.5 | 179.1 | -88.4 | -11.3 | 0 | 0 | 0 | 113.8 | R707 K708 R712 S754 | D705-R707 PolarHBondContact O-N 3.04Å; D705-K708 HydrophobicContact CB-CB 4.37Å; D705-K708 PolarHBondContact O-N 2.81Å; D705-R712 IonicContact OD1-CZ 3.13Å; D705-R712 IonicContact OD1-NE 3.5Å; D705-R712 IonicContact OD1-NH2 2.92Å; D705-R712 PolarHBondContact OD1-NH2 2.72Å; D705-R712 WeakPolarHBondContact OD2-CB 3.42Å; D705-R712 WeakPolarHBondContact OD2-CG 3.18Å; D705-R712 IonicContact OD2-CZ 3.38Å; D705-R712 PolarHBondContact OD2-N 2.89Å; D705-R712 IonicContact OD2-NE 2.95Å; D705-R712 PolarHBondContact OD2-NE 3.2Å; D705-R712 IonicContact OD2-NH2 3.48Å; D705-R712 PolarHBondContact OD2-NH2 2.99Å; D705-S754 PolarHBondContact N-O 3.16Å; D705-S754 PolarHBondContact OD1-N 3.08Å |
| 706 | D | 71.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -19.4 | -175 | -166.2 | 30.4 | 0 | 0 | 0 | 115.5 | T703 L704 R758 | T703-D706 HydrophobicContact CG2-CB 4.06Å; L704-D706 PolarHBondContact O-N 3.44Å; D706-R758 IonicContact OD2-NH2 3.24Å; D706-R758 PolarHBondContact OD2-NH2 2.76Å |
| 707 | R | 68 | Low | 84.4 | Confident | 217 Ų | 217 | 50.5 Ų | 50.5 | 82% | 0.819 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 3.7 | -178.1 | -65.1 | -171.1 | 179.2 | 175.5 | -2 | 115 | D705 | D705-R707 PolarHBondContact O-N 3.04Š|
| 708 | K | 67.2 | Low | 84 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 18% | 0.183 | 24% | 0.239 | C | C | . | . | trans | -107.9 | 145 | -179.1 | -73.8 | -166.7 | 174.4 | -171.4 | 0 | 112.9 | D705 S710 R721 D748 | D705-K708 HydrophobicContact CB-CB 4.37Å; D705-K708 PolarHBondContact O-N 2.81Å; K708-S710 WeakPolarHBondContact CB-O 3.27Å; K708-R721 PolarHBondContact O-NH1 2.88Å; K708-D748 IonicContact NZ-OD2 3.4Å; K708-D748 PolarHBondContact NZ-OD2 2.03Å | ||
| 709 | F | 63.3 | Low | 83.7 | Confident | 217 Ų | 217 | 52.1 Ų | 52.1 | 95% | 0.952 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -68.7 | -35.1 | 178.1 | -150.5 | -90.8 | 0 | 0 | 0 | 112 | ||
| 710 | S | 71.3 | Confident | 83.6 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -114.3 | 124.6 | 169.4 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | K708 | K708-S710 WeakPolarHBondContact CB-O 3.27Š|
| 711 | A | 78.1 | Confident | 83.4 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -77.9 | 126.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A713 L714 R721 | A711-A713 VanDerWaalsContact C-N 3.32Å; A711-L714 HydrophobicContact CB-CD2 4.23Å; A711-R721 HydrophobicContact CB-CB 3.43Å; A711-R721 VanDerWaalsContact CB-CB 3.43Å; A711-R721 HydrophobicContact CB-CG 4.33Å | ||
| 712 | R | 87.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.038 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -81.8 | -16.6 | 178 | -61.3 | 174.1 | -69 | 167.4 | 6.9 | 112.7 | D705 V743 Y744 T746 D748 R751 P752 | D705-R712 IonicContact OD1-CZ 3.13Å; D705-R712 IonicContact OD1-NE 3.5Å; D705-R712 IonicContact OD1-NH2 2.92Å; D705-R712 PolarHBondContact OD1-NH2 2.72Å; D705-R712 WeakPolarHBondContact OD2-CB 3.42Å; D705-R712 WeakPolarHBondContact OD2-CG 3.18Å; D705-R712 IonicContact OD2-CZ 3.38Å; D705-R712 PolarHBondContact OD2-N 2.89Å; D705-R712 IonicContact OD2-NE 2.95Å; D705-R712 PolarHBondContact OD2-NE 3.2Å; D705-R712 IonicContact OD2-NH2 3.48Å; D705-R712 PolarHBondContact OD2-NH2 2.99Å; R712-V743 WeakPolarHBondContact O-CA 3.3Å; R712-Y744 PolarHBondContact O-N 3.16Å; R712-T746 HydrophobicContact CB-CG2 4.13Å; R712-T746 WeakPolarHBondContact CD-OG1 3.03Å; R712-T746 HydrophobicContact CG-CG2 4.04Å; R712-T746 WeakPolarHBondContact CG-OG1 3.28Å; R712-D748 PolarHBondContact NH1-O 2.79Å; R712-D748 IonicContact NH1-OD1 3.03Å; R712-D748 IonicContact NH1-OD2 2.64Å; R712-R751 PolarHBondContact NH1-O 2.85Å; R712-R751 PolarHBondContact NH2-O 2.85Å; R712-P752 PolarHBondContact NH2-O 3.22Å |
| 713 | A | 89.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L704 A711 F741 H742 V743 I753 | L704-A713 HydrophobicContact CB-CB 4.28Å; L704-A713 HydrophobicContact CD1-CB 3.99Å; L704-A713 HydrophobicContact CD2-CB 4.34Å; L704-A713 HydrophobicContact CG-CB 4.44Å; A711-A713 VanDerWaalsContact C-N 3.32Å; A713-F741 HydrophobicContact CB-CD2 4.15Å; A713-H742 CarbonylContact C-O 3.53Å; A713-H742 WeakPolarHBondContact CA-O 3.27Å; A713-H742 WeakPolarHBondContact CB-O 3.27Å; A713-V743 HydrophobicContact CB-CG2 4.08Å; A713-I753 HydrophobicContact CB-CD1 3.99Å; A713-I753 HydrophobicContact CB-CG2 4.08Å |
| 714 | L | 90.6 | Very high | 83 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.9 | 176.7 | -58.9 | -178.3 | 0 | 0 | 0 | 109.7 | A711 R721 F741 H742 Y744 | A711-L714 HydrophobicContact CB-CD2 4.23Å; L714-R721 HydrophobicContact CD2-CB 4.05Å; L714-F741 WeakPolarHBondContact O-CA 3.26Å; L714-F741 VanDerWaalsContact O-CB 3.31Å; L714-F741 WeakPolarHBondContact O-CB 3.29Å; L714-H742 PolarHBondContact N-O 3.23Å; L714-H742 PolarHBondContact O-N 3.3Å; L714-H742 PolarHBondContact O-ND1 3.36Å; L714-Y744 HydrophobicContact CD1-CE2 3.43Å; L714-Y744 VanDerWaalsContact CD1-CE2 3.43Å; L714-Y744 WeakPolarHBondContact CD1-OH 3.34Å; L714-Y744 HydrophobicContact CG-CE2 3.84Å |
| 715 | F | 92.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.7 | 172.2 | -67.6 | -71.5 | 0 | 0 | 0 | 110.7 | A702 L704 S719 H720 R721 M723 L739 F741 F755 | A702-F715 HydrophobicContact CB-CE1 4.4Å; A702-F715 HydrophobicContact CB-CE2 4.21Å; A702-F715 HydrophobicContact CB-CZ 3.65Å; A702-F715 WeakPolarHBondContact O-CE2 3.45Å; L704-F715 HydrophobicContact CD1-CD1 3.94Å; L704-F715 HydrophobicContact CD1-CD2 3.84Å; L704-F715 HydrophobicContact CD1-CE1 3.88Å; L704-F715 HydrophobicContact CD1-CE2 3.75Å; L704-F715 HydrophobicContact CD1-CG 3.94Å; L704-F715 HydrophobicContact CD1-CZ 3.78Å; L704-F715 HydrophobicContact CD2-CZ 4.42Å; L704-F715 HydrophobicContact CG-CD2 4.4Å; L704-F715 HydrophobicContact CG-CE1 4.14Å; L704-F715 HydrophobicContact CG-CE2 3.8Å; L704-F715 HydrophobicContact CG-CZ 3.66Å; F715-S719 VanDerWaalsContact O-CA 3.28Å; F715-S719 WeakPolarHBondContact O-CA 3.29Å; F715-S719 PolarHBondContact O-N 3.32Å; F715-H720 WeakPolarHBondContact CD2-O 3.47Å; F715-H720 PolarHBondContact N-O 2.81Å; F715-H720 VanDerWaalsContact N-O 3.07Å; F715-R721 WeakPolarHBondContact CE2-O 3.38Å; F715-M723 HydrophobicContact CB-CE 3.41Å; F715-M723 VanDerWaalsContact CB-CE 3.41Å; F715-M723 HydrophobicContact CD1-CE 3.37Å; F715-M723 HydrophobicContact CD1-CG 4.35Å; F715-M723 HydrophobicContact CD1-SD 4.35Å; F715-M723 HydrophobicContact CD2-CB 4.04Å; F715-M723 HydrophobicContact CD2-CE 4.08Å; F715-M723 HydrophobicContact CD2-CG 3.81Å; F715-M723 HydrophobicContact CE1-CE 4.08Å; F715-M723 HydrophobicContact CE1-CG 4.34Å; F715-M723 HydrophobicContact CE2-CB 4.4Å; F715-M723 HydrophobicContact CE2-CG 3.84Å; F715-M723 HydrophobicContact CG-CB 4.44Å; F715-M723 HydrophobicContact CG-CE 3.35Å; F715-M723 HydrophobicContact CG-CG 4.07Å; F715-M723 HydrophobicContact CG-SD 4.43Å; F715-M723 HydrophobicContact CZ-CG 4.1Å; F715-L739 HydrophobicContact CE1-CB 4.37Å; F715-F741 HydrophobicContact CD1-CB 4.01Å; F715-F755 AromaticContact CE1-CE2 3.59Å; F715-F755 HydrophobicContact CE1-CE2 3.59Å; F715-F755 AromaticContact CE1-CZ 3.74Å; F715-F755 HydrophobicContact CE1-CZ 3.74Å; F715-F755 AromaticContact CZ-CE2 3.85Å; F715-F755 HydrophobicContact CZ-CE2 3.85Å; F715-F755 AromaticContact CZ-CZ 3.86Å; F715-F755 HydrophobicContact CZ-CZ 3.86Å |
| 716 | D | 87.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.16 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -41.9 | -173.7 | -81.7 | 18.6 | 0 | 0 | 0 | 111.9 | R668 S718 P740 F741 H742 | R668-D716 IonicContact CZ-OD2 2.84Å; R668-D716 IonicContact NE-OD1 3.05Å; R668-D716 IonicContact NE-OD2 3.77Å; R668-D716 PolarHBondContact NE-OD2 3.38Å; R668-D716 IonicContact NH2-OD2 3.87Å; R668-D716 PolarHBondContact NH2-OD2 3.19Å; D716-S718 PolarHBondContact O-N 3.08Å; D716-P740 HydrophobicContact CB-CB 4.07Å; D716-P740 HydrophobicContact CB-CG 4.14Å; D716-P740 PolarHBondContact N-O 3.19Å; D716-F741 WeakPolarHBondContact OD1-CA 3.45Å; D716-H742 IonicContact OD1-CE1 2.75Å; D716-H742 IonicContact OD1-CG 3.23Å; D716-H742 PolarHBondContact OD1-N 3.12Å; D716-H742 IonicContact OD1-ND1 2.68Å; D716-H742 PolarHBondContact OD1-ND1 3.11Å |
| 717 | D | 83.3 | Confident | 83.8 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -35.2 | -174.7 | -62.4 | -25.8 | 0 | 0 | 0 | 113 | ||
| 718 | S | 82.2 | Confident | 84.8 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -15.9 | -175.2 | 68.1 | 0 | 0 | 0 | 0 | 114 | D716 H720 | D716-S718 PolarHBondContact O-N 3.08Å; S718-H720 PolarHBondContact O-CD2 3.13Å; S718-H720 PolarHBondContact O-N 2.9Å; S718-H720 VanDerWaalsContact O-N 3.1Å; S718-H720 PolarHBondContact OG-N 2.94Å |
| 719 | S | 82.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 65 Ų | 65 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 50.4 | 29.3 | -168.8 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | F715 | F715-S719 VanDerWaalsContact O-CA 3.28Å; F715-S719 WeakPolarHBondContact O-CA 3.29Å; F715-S719 PolarHBondContact O-N 3.32Å |
| 720 | H | 87.9 | Confident | 86.8 | Confident | 127 Ų | 127 | 57.1 Ų | 57.1 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -123.7 | 157.3 | 177.9 | -70 | -60.9 | 0 | 0 | 0 | 110.6 | F715 S718 Q722 | F715-H720 WeakPolarHBondContact CD2-O 3.47Å; F715-H720 PolarHBondContact N-O 2.81Å; F715-H720 VanDerWaalsContact N-O 3.07Å; S718-H720 PolarHBondContact O-CD2 3.13Å; S718-H720 PolarHBondContact O-N 2.9Å; S718-H720 VanDerWaalsContact O-N 3.1Å; S718-H720 PolarHBondContact OG-N 2.94Å; H720-Q722 PolarHBondContact O-N 3.4Å |
| 721 | R | 88.4 | Confident | 87.4 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -71 | -17.1 | 177.8 | 72.7 | 175.4 | -179.1 | -175.4 | -1.9 | 113.5 | T703 L704 K708 A711 L714 F715 | T703-R721 WeakPolarHBondContact CA-O 3.4Å; L704-R721 PolarHBondContact N-O 3.3Å; K708-R721 PolarHBondContact O-NH1 2.88Å; A711-R721 HydrophobicContact CB-CB 3.43Å; A711-R721 VanDerWaalsContact CB-CB 3.43Å; A711-R721 HydrophobicContact CB-CG 4.33Å; L714-R721 HydrophobicContact CD2-CB 4.05Å; F715-R721 WeakPolarHBondContact CE2-O 3.38Å |
| 722 | Q | 90.6 | Very high | 87.5 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.3 | -177.8 | -173.6 | 177.4 | 5 | 0 | 0 | 108.4 | S701 A702 H720 | S701-Q722 PolarHBondContact OG-NE2 2.04Å; A702-Q722 CarbonylContact O-C 3.59Å; A702-Q722 VanDerWaalsContact O-CA 3.24Å; A702-Q722 WeakPolarHBondContact O-CA 3.44Å; H720-Q722 PolarHBondContact O-N 3.4Å |
| 723 | M | 91.1 | Very high | 87.4 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 163.4 | 170.2 | 68.9 | 152.9 | 68.8 | 0 | 0 | 110.8 | S701 A702 F715 L739 | S701-M723 WeakPolarHBondContact CA-O 3.36Å; S701-M723 PolarHBondContact OG-O 2.67Å; A702-M723 HydrophobicContact CB-CG 3.85Å; A702-M723 PolarHBondContact N-O 3.48Å; A702-M723 PolarHBondContact O-N 3Å; F715-M723 HydrophobicContact CB-CE 3.41Å; F715-M723 VanDerWaalsContact CB-CE 3.41Å; F715-M723 HydrophobicContact CD1-CE 3.37Å; F715-M723 HydrophobicContact CD1-CG 4.35Å; F715-M723 HydrophobicContact CD1-SD 4.35Å; F715-M723 HydrophobicContact CD2-CB 4.04Å; F715-M723 HydrophobicContact CD2-CE 4.08Å; F715-M723 HydrophobicContact CD2-CG 3.81Å; F715-M723 HydrophobicContact CE1-CE 4.08Å; F715-M723 HydrophobicContact CE1-CG 4.34Å; F715-M723 HydrophobicContact CE2-CB 4.4Å; F715-M723 HydrophobicContact CE2-CG 3.84Å; F715-M723 HydrophobicContact CG-CB 4.44Å; F715-M723 HydrophobicContact CG-CE 3.35Å; F715-M723 HydrophobicContact CG-CG 4.07Å; F715-M723 HydrophobicContact CG-SD 4.43Å; F715-M723 HydrophobicContact CZ-CG 4.1Å; M723-L739 HydrophobicContact CE-CD2 4.44Å; M723-L739 HydrophobicContact SD-CD2 3.82Å |
| 724 | Q | 90.8 | Very high | 87.5 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.1 | 173.9 | -56.6 | -64.5 | -21.6 | 0 | 0 | 108.3 | W699 V700 S701 | W699-Q724 HydrophobicContact CH2-CB 4.22Å; W699-Q724 HydrophobicContact CZ2-CB 3.68Å; W699-Q724 HydrophobicContact CZ2-CG 3.69Å; V700-Q724 CarbonylContact O-C 3.57Å; V700-Q724 WeakPolarHBondContact O-CA 3.21Å; V700-Q724 PolarHBondContact O-OE1 3.47Å; S701-Q724 VanDerWaalsContact CB-OE1 3.28Å; S701-Q724 PolarHBondContact OG-NE2 3.04Å; S701-Q724 PolarHBondContact OG-OE1 2.86Å |
| 725 | L | 88.3 | Confident | 87.6 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 111.6 | -178.8 | 177.1 | 72.3 | 0 | 0 | 0 | 108.2 | F682 V700 V727 Y737 L739 | F682-L725 HydrophobicContact CE2-CD2 4.24Å; V700-L725 HydrophobicContact CB-CB 4.27Å; V700-L725 WeakPolarHBondContact CB-O 3.22Å; V700-L725 PolarHBondContact N-O 3.21Å; V700-L725 VanDerWaalsContact N-O 3.08Å; V700-L725 PolarHBondContact O-N 2.83Å; L725-V727 HydrophobicContact CD2-CG2 3.64Å; L725-V727 HydrophobicContact CG-CG2 3.74Å; L725-V727 PolarHBondContact O-N 3.45Å; L725-Y737 HydrophobicContact CD1-CD1 3.78Å; L725-Y737 HydrophobicContact CD1-CE1 4.15Å; L725-Y737 HydrophobicContact CD1-CG 4.2Å; L725-Y737 HydrophobicContact CD2-CD1 4.2Å; L725-Y737 HydrophobicContact CD2-CD2 3.98Å; L725-Y737 HydrophobicContact CD2-CG 3.76Å; L725-Y737 HydrophobicContact CG-CD1 4.45Å; L725-Y737 HydrophobicContact CG-CG 4.49Å; L725-L739 HydrophobicContact CD2-CD2 4.43Å |
| 726 | P | 88.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 77 Ų | 77 | 60% | 0.597 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.4 | 168.7 | 29.7 | -31.4 | 0 | 0 | 0 | 109.1 | ||
| 727 | V | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.5 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | F682 L698 V700 L725 A729 L735 Y737 | F682-V727 HydrophobicContact CB-CG1 4.43Å; F682-V727 HydrophobicContact CD2-CG1 4.23Å; F682-V727 HydrophobicContact CD2-CG2 4.24Å; F682-V727 HydrophobicContact CE2-CG2 4.09Å; F682-V727 HydrophobicContact CG-CG1 4.3Å; F682-V727 HydrophobicContact CZ-CG2 4.49Å; L698-V727 HydrophobicContact CB-CB 4.09Å; L698-V727 WeakPolarHBondContact CB-O 3.39Å; L698-V727 HydrophobicContact CD1-CG1 4.41Å; L698-V727 PolarHBondContact N-O 3.06Å; L698-V727 PolarHBondContact O-N 3.08Å; V700-V727 HydrophobicContact CB-CG2 4.49Å; V700-V727 HydrophobicContact CG2-CB 4.18Å; V700-V727 HydrophobicContact CG2-CG2 3.72Å; L725-V727 HydrophobicContact CD2-CG2 3.64Å; L725-V727 HydrophobicContact CG-CG2 3.74Å; L725-V727 PolarHBondContact O-N 3.45Å; V727-A729 PolarHBondContact O-N 2.89Å; V727-L735 HydrophobicContact CG1-CD1 4.48Å; V727-Y737 HydrophobicContact CB-CE2 4.23Å; V727-Y737 HydrophobicContact CG1-CE2 3.82Å; V727-Y737 HydrophobicContact CG2-CD2 4.16Å; V727-Y737 HydrophobicContact CG2-CE2 3.65Å |
| 728 | R | 89.4 | Confident | 88.5 | Confident | 165 Ų | 165 | 79.8 Ų | 79.8 | 62% | 0.623 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 86.4 | 174.7 | -172.1 | 165.8 | -173.7 | 176 | 3.7 | 109.8 | A695 F696 D697 L735 | A695-R728 HydrophobicContact CB-CG 4.07Å; F696-R728 CarbonylContact O-C 3.34Å; D697-R728 WeakPolarHBondContact OD1-CB 3Å; D697-R728 WeakPolarHBondContact OD1-CG 3.47Å; R728-L735 WeakPolarHBondContact O-CD1 3.49Å |
| 729 | A | 87.4 | Confident | 89 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 145.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A684 A695 F696 L698 V727 | A684-A729 HydrophobicContact CB-CB 4.3Å; A695-A729 CarbonylContact C-O 3.48Å; A695-A729 WeakPolarHBondContact CA-O 3.4Å; F696-A729 HydrophobicContact CD2-CB 4.16Å; F696-A729 HydrophobicContact CE1-CB 4.42Å; F696-A729 HydrophobicContact CE2-CB 3.72Å; F696-A729 HydrophobicContact CZ-CB 3.87Å; F696-A729 PolarHBondContact N-O 3.12Å; F696-A729 PolarHBondContact O-N 2.8Å; L698-A729 HydrophobicContact CD1-CB 3.68Å; L698-A729 HydrophobicContact CG-CB 4.09Å; V727-A729 PolarHBondContact O-N 2.89Å |
| 730 | Q | 84.7 | Confident | 89.6 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | trans | -131.7 | 138 | 170.8 | -175.1 | 174.4 | 3.7 | 0 | 0 | 108.4 | S693 A695 K733 | S693-Q730 PolarHBondContact OG-NE2 2.88Å; A695-Q730 HydrophobicContact CB-CB 4.44Å; Q730-K733 HydrophobicContact CB-CB 4.41Å; Q730-K733 HydrophobicContact CB-CD 4.33Å; Q730-K733 HydrophobicContact CG-CD 4.3Å; Q730-K733 PolarHBondContact O-N 3.17Å | ||
| 731 | T | 83.7 | Confident | 89.8 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 139.8 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | V646 A684 F696 K733 | V646-T731 HydrophobicContact CG1-CG2 4.46Å; A684-T731 CarbonylContact O-C 3.52Å; A684-T731 WeakPolarHBondContact O-CA 3.31Å; F696-T731 HydrophobicContact CE1-CG2 4.47Å; T731-K733 PolarHBondContact O-N 2.88Å; T731-K733 VanDerWaalsContact O-N 3.1Å |
| 732 | R | 79.6 | Confident | 89.9 | Confident | 229 Ų | 229 | 64.9 Ų | 64.9 | 86% | 0.864 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 10.3 | -178.3 | -52.8 | -179.2 | -179.7 | -177.7 | 1 | 115.7 | A684 | A684-R732 PolarHBondContact O-N 2.61Š|
| 733 | K | 86.9 | Confident | 89.8 | Confident | 112 Ų | 112 | 60.8 Ų | 60.8 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | trans | -113.4 | 139 | 170.3 | -67.3 | -171.8 | -174.5 | 169.2 | 0 | 110.8 | Q730 T731 | Q730-K733 HydrophobicContact CB-CB 4.41Å; Q730-K733 HydrophobicContact CB-CD 4.33Å; Q730-K733 HydrophobicContact CG-CD 4.3Å; Q730-K733 PolarHBondContact O-N 3.17Å; T731-K733 PolarHBondContact O-N 2.88Å; T731-K733 VanDerWaalsContact O-N 3.1Å | ||
| 734 | T | 90.8 | Very high | 89.4 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.7 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | C681 F682 T683 | C681-T734 HydrophobicContact CB-CG2 3.84Å; F682-T734 WeakPolarHBondContact O-CA 3.26Å; T683-T734 WeakPolarHBondContact OG1-CG2 3.49Å; T683-T734 PolarHBondContact OG1-OG1 3.05Å |
| 735 | L | 92.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 64.2 Ų | 64.2 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.2 | 176.7 | -68.8 | 164.8 | 0 | 0 | 0 | 109.7 | C681 F682 V727 R728 Y737 | C681-L735 CarbonylContact C-O 3.26Å; C681-L735 VanDerWaalsContact CA-O 3.27Å; C681-L735 WeakPolarHBondContact CA-O 3.41Å; F682-L735 PolarHBondContact N-O 3.48Å; F682-L735 PolarHBondContact O-N 3.4Å; V727-L735 HydrophobicContact CG1-CD1 4.48Å; R728-L735 WeakPolarHBondContact O-CD1 3.49Å; L735-Y737 HydrophobicContact CB-CE2 4.13Å |
| 736 | C | 93.8 | Very high | 87.5 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.8 | -177.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | T679 A680 C681 | T679-C736 HydrophobicContact CG2-CB 4.25Å; A680-C736 CarbonylContact O-C 3.55Å; A680-C736 WeakPolarHBondContact O-CA 3.46Å; C681-C736 HydrophobicContact CB-CB 4.08Å; C681-C736 WeakPolarHBondContact CB-SG 3.45Å; C681-C736 WeakPolarHBondContact SG-CB 3.39Å; C681-C736 CovalentContact SG-SG 2.04Å; C681-C736 PolarHBondContact SG-SG 3.06Å |
| 737 | Y | 94 | Very high | 86.2 | Confident | 67 Ų | 67 | 63.7 Ų | 63.7 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.2 | 177.2 | -64.7 | -95.5 | 0 | 0 | 0 | 110.1 | T679 A680 F682 L725 V727 L735 | T679-Y737 WeakPolarHBondContact CA-O 3.41Å; A680-Y737 PolarHBondContact N-O 3.4Å; A680-Y737 PolarHBondContact O-N 2.89Å; F682-Y737 HydrophobicContact CD2-CD2 4.12Å; F682-Y737 HydrophobicContact CD2-CE2 4.41Å; F682-Y737 HydrophobicContact CE2-CD2 4.1Å; L725-Y737 HydrophobicContact CD1-CD1 3.78Å; L725-Y737 HydrophobicContact CD1-CE1 4.15Å; L725-Y737 HydrophobicContact CD1-CG 4.2Å; L725-Y737 HydrophobicContact CD2-CD1 4.2Å; L725-Y737 HydrophobicContact CD2-CD2 3.98Å; L725-Y737 HydrophobicContact CD2-CG 3.76Å; L725-Y737 HydrophobicContact CG-CD1 4.45Å; L725-Y737 HydrophobicContact CG-CG 4.49Å; V727-Y737 HydrophobicContact CB-CE2 4.23Å; V727-Y737 HydrophobicContact CG1-CE2 3.82Å; V727-Y737 HydrophobicContact CG2-CD2 4.16Å; V727-Y737 HydrophobicContact CG2-CE2 3.65Å; L735-Y737 HydrophobicContact CB-CE2 4.13Å |
| 738 | K | 93.9 | Very high | 85.2 | Confident | 155 Ų | 155 | 64.5 Ų | 64.5 | 67% | 0.674 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126.9 | 171.9 | -68.3 | -175.4 | 179.9 | -179.5 | 0 | 109 | A678 | A678-K738 CarbonylContact O-C 3.2Å; A678-K738 WeakPolarHBondContact O-CA 3.16Å |
| 739 | L | 94.2 | Very high | 84.2 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 94.8 | -176.2 | -55.6 | 176.3 | 0 | 0 | 0 | 107.8 | A678 A680 A702 F715 M723 L725 F755 | A678-L739 HydrophobicContact CB-CB 4.32Å; A678-L739 PolarHBondContact N-O 2.98Å; A678-L739 PolarHBondContact O-N 3.2Å; A680-L739 HydrophobicContact CB-CD1 4.28Å; A702-L739 HydrophobicContact CB-CD1 4.38Å; F715-L739 HydrophobicContact CE1-CB 4.37Å; M723-L739 HydrophobicContact CE-CD2 4.44Å; M723-L739 HydrophobicContact SD-CD2 3.82Å; L725-L739 HydrophobicContact CD2-CD2 4.43Å; L739-F755 HydrophobicContact CD1-CE1 4.44Å; L739-F755 HydrophobicContact CD1-CZ 3.84Å |
| 740 | P | 93.6 | Very high | 83.1 | Confident | 30 Ų | 30 | 62.3 Ų | 62.3 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.3 | 176.9 | 28 | -32.6 | 0 | 0 | 0 | 110.9 | N677 D716 | N677-P740 VanDerWaalsContact OD1-CA 3.25Å; N677-P740 WeakPolarHBondContact OD1-CA 3.24Å; N677-P740 VanDerWaalsContact OD1-CB 3.29Å; N677-P740 WeakPolarHBondContact OD1-CB 3.24Å; D716-P740 HydrophobicContact CB-CB 4.07Å; D716-P740 HydrophobicContact CB-CG 4.14Å; D716-P740 PolarHBondContact N-O 3.19Å |
| 741 | F | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.9 | 175.4 | 69.2 | -82.2 | 0 | 0 | 0 | 110.9 | F654 L676 A678 L704 A713 L714 F715 D716 V743 F755 I782 | F654-F741 HydrophobicContact CD1-CE1 4.24Å; F654-F741 HydrophobicContact CD1-CZ 4.29Å; L676-F741 HydrophobicContact CB-CD1 4.32Å; L676-F741 HydrophobicContact CB-CD2 4.46Å; L676-F741 HydrophobicContact CB-CE1 3.68Å; L676-F741 HydrophobicContact CB-CE2 3.87Å; L676-F741 HydrophobicContact CB-CZ 3.43Å; L676-F741 VanDerWaalsContact CB-CZ 3.43Å; L676-F741 HydrophobicContact CD1-CE2 4.14Å; L676-F741 HydrophobicContact CD1-CZ 4.45Å; L676-F741 HydrophobicContact CD2-CE2 4.46Å; L676-F741 HydrophobicContact CD2-CZ 4.08Å; L676-F741 HydrophobicContact CG-CE2 4.39Å; L676-F741 HydrophobicContact CG-CZ 4.19Å; L676-F741 PolarHBondContact N-O 2.82Å; L676-F741 WeakPolarHBondContact O-CD1 3.46Å; L676-F741 PolarHBondContact O-N 3.39Å; A678-F741 HydrophobicContact CB-CD1 4.3Å; A678-F741 HydrophobicContact CB-CE1 3.89Å; L704-F741 HydrophobicContact CD1-CB 3.86Å; L704-F741 HydrophobicContact CD1-CD2 4.22Å; L704-F741 HydrophobicContact CD1-CG 4.18Å; L704-F741 HydrophobicContact CD2-CD2 4.1Å; L704-F741 HydrophobicContact CD2-CE2 4.3Å; L704-F741 HydrophobicContact CD2-CG 4.38Å; A713-F741 HydrophobicContact CB-CD2 4.15Å; L714-F741 WeakPolarHBondContact O-CA 3.26Å; L714-F741 VanDerWaalsContact O-CB 3.31Å; L714-F741 WeakPolarHBondContact O-CB 3.29Å; F715-F741 HydrophobicContact CD1-CB 4.01Å; D716-F741 WeakPolarHBondContact OD1-CA 3.45Å; F741-V743 HydrophobicContact CE2-CG2 4.32Å; F741-F755 HydrophobicContact CD1-CE2 4.42Å; F741-F755 HydrophobicContact CE1-CE2 4.46Å; F741-I782 HydrophobicContact CE2-CD1 4Å; F741-I782 HydrophobicContact CZ-CD1 3.58Å |
| 742 | H | 90.7 | Very high | 82.6 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.6 | 177.3 | 63.3 | -77.8 | 0 | 0 | 0 | 111.2 | R668 A674 A713 L714 D716 Y744 | R668-H742 HydrophobicContact CG-CB 4.22Å; A674-H742 CarbonylContact O-C 3.08Å; A674-H742 WeakPolarHBondContact O-CA 3.5Å; A713-H742 CarbonylContact C-O 3.53Å; A713-H742 WeakPolarHBondContact CA-O 3.27Å; A713-H742 WeakPolarHBondContact CB-O 3.27Å; L714-H742 PolarHBondContact N-O 3.23Å; L714-H742 PolarHBondContact O-N 3.3Å; L714-H742 PolarHBondContact O-ND1 3.36Å; D716-H742 IonicContact OD1-CE1 2.75Å; D716-H742 IonicContact OD1-CG 3.23Å; D716-H742 PolarHBondContact OD1-N 3.12Å; D716-H742 IonicContact OD1-ND1 2.68Å; D716-H742 PolarHBondContact OD1-ND1 3.11Å; H742-Y744 AromaticContact CD2-CE1 3.54Å; H742-Y744 AromaticContact CD2-CZ 3.81Å; H742-Y744 AromaticContact NE2-CE1 3.37Å; H742-Y744 WeakPolarHBondContact NE2-CE1 3.33Å; H742-Y744 AromaticContact NE2-CZ 3.22Å; H742-Y744 PolarHBondContact NE2-OH 3.3Å |
| 743 | V | 88.3 | Confident | 83 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.7 | 178.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | I659 S673 A674 L676 R712 A713 F741 I753 F784 | I659-V743 HydrophobicContact CD1-CG2 3.99Å; I659-V743 HydrophobicContact CG1-CG2 4.26Å; I659-V743 HydrophobicContact CG2-CB 4.32Å; I659-V743 HydrophobicContact CG2-CG1 4.43Å; I659-V743 HydrophobicContact CG2-CG2 4.26Å; S673-V743 WeakPolarHBondContact CB-O 3.34Å; A674-V743 HydrophobicContact CB-CB 4.43Å; A674-V743 PolarHBondContact N-O 2.8Å; A674-V743 PolarHBondContact O-N 2.81Å; L676-V743 HydrophobicContact CD1-CG2 3.86Å; R712-V743 WeakPolarHBondContact O-CA 3.3Å; A713-V743 HydrophobicContact CB-CG2 4.08Å; F741-V743 HydrophobicContact CE2-CG2 4.32Å; V743-I753 HydrophobicContact CB-CD1 4.07Å; V743-I753 HydrophobicContact CG1-CD1 3.43Å; V743-I753 VanDerWaalsContact CG1-CD1 3.43Å; V743-I753 HydrophobicContact CG2-CD1 3.43Å; V743-I753 VanDerWaalsContact CG2-CD1 3.43Å; V743-F784 HydrophobicContact CG1-CE1 4.19Å; V743-F784 HydrophobicContact CG1-CZ 4.43Å |
| 744 | Y | 82.2 | Confident | 83.1 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 24% | 0.239 | 28% | 0.28 | C | S | . | . | trans | -77.1 | 157 | 172.9 | -66.5 | -53.3 | 0 | 0 | 0 | 111.8 | R712 L714 H742 T746 | R712-Y744 PolarHBondContact O-N 3.16Å; L714-Y744 HydrophobicContact CD1-CE2 3.43Å; L714-Y744 VanDerWaalsContact CD1-CE2 3.43Å; L714-Y744 WeakPolarHBondContact CD1-OH 3.34Å; L714-Y744 HydrophobicContact CG-CE2 3.84Å; H742-Y744 AromaticContact CD2-CE1 3.54Å; H742-Y744 AromaticContact CD2-CZ 3.81Å; H742-Y744 AromaticContact NE2-CE1 3.37Å; H742-Y744 WeakPolarHBondContact NE2-CE1 3.33Å; H742-Y744 AromaticContact NE2-CZ 3.22Å; H742-Y744 PolarHBondContact NE2-OH 3.3Å; Y744-T746 WeakPolarHBondContact O-CG2 3.35Å; Y744-T746 PolarHBondContact O-N 3.45Å | ||
| 745 | D | 69.2 | Low | 83.3 | Confident | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | trans | -58.3 | 123.3 | 167.6 | -147.7 | 54 | 0 | 0 | 0 | 110 | K664 Y749 | K664-D745 WeakPolarHBondContact CE-OD1 3.29Å; K664-D745 IonicContact NZ-OD1 2.66Å; K664-D745 PolarHBondContact NZ-OD1 2.85Å; D745-Y749 PolarHBondContact OD1-OH 3.1Å | ||
| 746 | T | 69.6 | Low | 83.3 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | trans | -143.1 | 139 | -166.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | R712 Y744 D748 Y749 | R712-T746 HydrophobicContact CB-CG2 4.13Å; R712-T746 WeakPolarHBondContact CD-OG1 3.03Å; R712-T746 HydrophobicContact CG-CG2 4.04Å; R712-T746 WeakPolarHBondContact CG-OG1 3.28Å; Y744-T746 WeakPolarHBondContact O-CG2 3.35Å; Y744-T746 PolarHBondContact O-N 3.45Å; T746-D748 PolarHBondContact O-N 3.43Å; T746-D748 PolarHBondContact OG1-N 2.83Å; T746-Y749 HydrophobicContact CG2-CD1 4.08Å; T746-Y749 HydrophobicContact CG2-CE1 3.65Å; T746-Y749 PolarHBondContact N-OH 2.76Å; T746-Y749 WeakPolarHBondContact O-CD2 3.48Å; T746-Y749 VanDerWaalsContact O-CE1 3.25Å; T746-Y749 WeakPolarHBondContact O-CE1 3.36Å; T746-Y749 WeakPolarHBondContact O-CE2 3.26Å; T746-Y749 PolarHBondContact O-OH 3.05Å; T746-Y749 VanDerWaalsContact O-OH 3.08Å | ||
| 747 | A | 63.4 | Low | 83.3 | Confident | 77 Ų | 77 | 43.2 Ų | 43.2 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -69.1 | 16.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y880 | A747-Y880 VanDerWaalsContact C-CE1 3.5Å; A747-Y880 WeakPolarHBondContact O-CD1 3.38Å; A747-Y880 WeakPolarHBondContact O-CE1 3.47Å |
| 748 | D | 67.4 | Low | 83.3 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | trans | -139.3 | 92.4 | 178.6 | -175.2 | -6.9 | 0 | 0 | 0 | 110.9 | K708 R712 T746 I750 R751 | K708-D748 IonicContact NZ-OD2 3.4Å; K708-D748 PolarHBondContact NZ-OD2 2.03Å; R712-D748 PolarHBondContact NH1-O 2.79Å; R712-D748 IonicContact NH1-OD1 3.03Å; R712-D748 IonicContact NH1-OD2 2.64Å; T746-D748 PolarHBondContact O-N 3.43Å; T746-D748 PolarHBondContact OG1-N 2.83Å; D748-I750 PolarHBondContact OD1-N 3.16Å; D748-R751 PolarHBondContact OD1-N 3.13Å; D748-R751 IonicContact OD1-NE 2.74Å; D748-R751 IonicContact OD2-CZ 2.69Å; D748-R751 IonicContact OD2-NE 3.21Å; D748-R751 PolarHBondContact OD2-NE 3.05Å; D748-R751 IonicContact OD2-NH2 3.49Å; D748-R751 PolarHBondContact OD2-NH2 3.06Å | ||
| 749 | Y | 69 | Low | 83.2 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 13% | 0.129 | 20% | 0.201 | C | C | . | . | trans | -103.9 | 1.4 | 176.4 | -57 | -61.5 | 0 | 0 | 0 | 113 | V661 D745 T746 F784 Y880 P881 | V661-Y749 HydrophobicContact CB-CD1 4.4Å; V661-Y749 HydrophobicContact CG1-CD1 3.83Å; V661-Y749 HydrophobicContact CG1-CD2 3.89Å; V661-Y749 HydrophobicContact CG1-CE1 3.69Å; V661-Y749 HydrophobicContact CG1-CE2 3.72Å; V661-Y749 HydrophobicContact CG1-CG 3.93Å; V661-Y749 HydrophobicContact CG2-CD1 3.68Å; V661-Y749 HydrophobicContact CG2-CE1 4.25Å; V661-Y749 HydrophobicContact CG2-CG 3.89Å; D745-Y749 PolarHBondContact OD1-OH 3.1Å; T746-Y749 HydrophobicContact CG2-CD1 4.08Å; T746-Y749 HydrophobicContact CG2-CE1 3.65Å; T746-Y749 PolarHBondContact N-OH 2.76Å; T746-Y749 WeakPolarHBondContact O-CD2 3.48Å; T746-Y749 VanDerWaalsContact O-CE1 3.25Å; T746-Y749 WeakPolarHBondContact O-CE1 3.36Å; T746-Y749 WeakPolarHBondContact O-CE2 3.26Å; T746-Y749 PolarHBondContact O-OH 3.05Å; T746-Y749 VanDerWaalsContact O-OH 3.08Å; Y749-F784 AromaticContact CD1-CD1 3.77Å; Y749-F784 HydrophobicContact CD1-CD1 3.77Å; Y749-F784 AromaticContact CD1-CE1 3.68Å; Y749-F784 HydrophobicContact CD1-CE1 3.68Å; Y749-F784 HydrophobicContact CD1-CG 4.36Å; Y749-F784 HydrophobicContact CD1-CZ 4.2Å; Y749-F784 HydrophobicContact CE1-CE1 4.3Å; Y749-F784 WeakPolarHBondContact O-CB 3.4Å; Y749-F784 WeakPolarHBondContact O-CD2 3.42Å; Y749-F784 WeakPolarHBondContact O-CG 3.43Å; Y749-Y880 WeakPolarHBondContact CA-OH 3.48Å; Y749-Y880 HydrophobicContact CD2-CE1 4.46Å; Y749-Y880 PolarHBondContact N-OH 3.37Å; Y749-P881 HydrophobicContact CD2-CB 4.16Å; Y749-P881 HydrophobicContact CD2-CG 3.87Å; Y749-P881 HydrophobicContact CE2-CG 4.15Å | ||
| 750 | I | 63.8 | Low | 82.9 | Confident | 91 Ų | 91 | 45.2 Ų | 45.2 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -85.5 | -51 | 174.1 | -69.3 | 164.2 | 0 | 0 | 0 | 109.8 | D748 N838 Y880 | D748-I750 PolarHBondContact OD1-N 3.16Å; I750-N838 HydrophobicContact CD1-CB 4.39Å; I750-N838 VanDerWaalsContact CG1-ND2 3.34Å; I750-N838 WeakPolarHBondContact CG1-ND2 3.28Å; I750-Y880 HydrophobicContact CD1-CD2 4.37Å; I750-Y880 HydrophobicContact CD1-CE2 3.41Å; I750-Y880 VanDerWaalsContact CD1-CE2 3.41Å; I750-Y880 HydrophobicContact CG1-CE2 3.82Å; I750-Y880 WeakPolarHBondContact CG1-OH 3.37Å; I750-Y880 PolarHBondContact N-OH 3.02Å |
| 751 | R | 75.8 | Confident | 82.6 | Confident | 149 Ų | 149 | 44.4 Ų | 44.4 | 56% | 0.562 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -76.9 | 122 | -172.9 | -71.1 | -174.9 | -69.1 | -167 | -7.1 | 109.2 | R712 D748 F784 | R712-R751 PolarHBondContact NH1-O 2.85Å; R712-R751 PolarHBondContact NH2-O 2.85Å; D748-R751 PolarHBondContact OD1-N 3.13Å; D748-R751 IonicContact OD1-NE 2.74Å; D748-R751 IonicContact OD2-CZ 2.69Å; D748-R751 IonicContact OD2-NE 3.21Å; D748-R751 PolarHBondContact OD2-NE 3.05Å; D748-R751 IonicContact OD2-NH2 3.49Å; D748-R751 PolarHBondContact OD2-NH2 3.06Å; R751-F784 WeakPolarHBondContact O-CE2 3.32Å |
| 752 | P | 82.4 | Confident | 82 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -61 | 153.5 | -179.4 | 28.5 | -36.2 | 0 | 0 | 0 | 110.5 | R712 S754 I782 | R712-P752 PolarHBondContact NH2-O 3.22Å; P752-S754 PolarHBondContact O-N 3.18Å; P752-I782 CarbonylContact C-O 3.55Å; P752-I782 WeakPolarHBondContact CA-O 3.33Å; P752-I782 WeakPolarHBondContact CB-O 3.49Å |
| 753 | I | 88 | Confident | 81 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.8 | 175.9 | -61.1 | -171.8 | 0 | 0 | 0 | 108.2 | I659 L704 A713 V743 S781 I782 F784 | I659-I753 HydrophobicContact CD1-CB 4.28Å; I659-I753 HydrophobicContact CD1-CD1 3.52Å; I659-I753 HydrophobicContact CD1-CG1 3.8Å; L704-I753 HydrophobicContact CD2-CG2 4.33Å; A713-I753 HydrophobicContact CB-CD1 3.99Å; A713-I753 HydrophobicContact CB-CG2 4.08Å; V743-I753 HydrophobicContact CB-CD1 4.07Å; V743-I753 HydrophobicContact CG1-CD1 3.43Å; V743-I753 VanDerWaalsContact CG1-CD1 3.43Å; V743-I753 HydrophobicContact CG2-CD1 3.43Å; V743-I753 VanDerWaalsContact CG2-CD1 3.43Å; I753-S781 CarbonylContact O-C 3.46Å; I753-S781 WeakPolarHBondContact O-CA 3.16Å; I753-I782 HydrophobicContact CB-CD1 4.31Å; I753-I782 HydrophobicContact CG2-CD1 4.36Å; I753-I782 PolarHBondContact N-O 3.1Å; I753-I782 PolarHBondContact O-N 3.5Å; I753-F784 HydrophobicContact CD1-CZ 3.9Å; I753-F784 HydrophobicContact CG1-CE2 4.11Å; I753-F784 HydrophobicContact CG1-CZ 3.83Å |
| 754 | S | 90.2 | Very high | 79.9 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.1 | 178.1 | 71 | 0 | 0 | 0 | 0 | 110.9 | L704 D705 P752 K779 K780 | L704-S754 CarbonylContact C-O 3.55Å; D705-S754 PolarHBondContact N-O 3.16Å; D705-S754 PolarHBondContact OD1-N 3.08Å; P752-S754 PolarHBondContact O-N 3.18Å; S754-K779 VanDerWaalsContact CB-CE 3.44Å; S754-K780 CarbonylContact C-O 3.57Å; S754-K780 WeakPolarHBondContact CA-O 3.46Å |
| 755 | F | 93.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.7 | 171.6 | -163.5 | -71.4 | 0 | 0 | 0 | 108.5 | L652 F654 A678 A702 L704 F715 L739 F741 L757 K779 K780 I782 | L652-F755 HydrophobicContact CD1-CD1 3.97Å; L652-F755 HydrophobicContact CD1-CE1 3.84Å; L652-F755 HydrophobicContact CD2-CB 4.12Å; L652-F755 HydrophobicContact CD2-CD1 3.62Å; L652-F755 HydrophobicContact CD2-CE1 4.34Å; L652-F755 HydrophobicContact CD2-CG 4.03Å; L652-F755 HydrophobicContact CG-CD1 4.45Å; F654-F755 HydrophobicContact CE1-CB 3.88Å; F654-F755 AromaticContact CE1-CD2 3.79Å; F654-F755 HydrophobicContact CE1-CD2 3.79Å; F654-F755 AromaticContact CE1-CG 3.87Å; F654-F755 HydrophobicContact CE1-CG 3.87Å; F654-F755 HydrophobicContact CZ-CB 3.72Å; F654-F755 HydrophobicContact CZ-CD2 4.47Å; F654-F755 HydrophobicContact CZ-CG 4.11Å; A678-F755 HydrophobicContact CB-CD2 4.16Å; A678-F755 HydrophobicContact CB-CE2 3.58Å; A678-F755 HydrophobicContact CB-CZ 3.87Å; A702-F755 HydrophobicContact CB-CE1 4.25Å; A702-F755 HydrophobicContact CB-CZ 4.23Å; L704-F755 HydrophobicContact CD2-CD2 3.38Å; L704-F755 HydrophobicContact CD2-CE2 3.87Å; L704-F755 HydrophobicContact CD2-CG 4.24Å; L704-F755 HydrophobicContact CG-CD2 4.38Å; F715-F755 AromaticContact CE1-CE2 3.59Å; F715-F755 HydrophobicContact CE1-CE2 3.59Å; F715-F755 AromaticContact CE1-CZ 3.74Å; F715-F755 HydrophobicContact CE1-CZ 3.74Å; F715-F755 AromaticContact CZ-CE2 3.85Å; F715-F755 HydrophobicContact CZ-CE2 3.85Å; F715-F755 AromaticContact CZ-CZ 3.86Å; F715-F755 HydrophobicContact CZ-CZ 3.86Å; L739-F755 HydrophobicContact CD1-CE1 4.44Å; L739-F755 HydrophobicContact CD1-CZ 3.84Å; F741-F755 HydrophobicContact CD1-CE2 4.42Å; F741-F755 HydrophobicContact CE1-CE2 4.46Å; F755-L757 HydrophobicContact CD1-CG 4.36Å; F755-L757 HydrophobicContact CE1-CD2 3.74Å; F755-L757 HydrophobicContact CE1-CG 3.89Å; F755-K779 CarbonylContact O-C 3.48Å; F755-K779 VanDerWaalsContact O-CA 3.32Å; F755-K779 WeakPolarHBondContact O-CA 3.26Å; F755-K780 PolarHBondContact N-O 3.07Å; F755-K780 PolarHBondContact O-N 3.23Å; F755-I782 HydrophobicContact CB-CD1 4.48Å |
| 756 | S | 93.3 | Very high | 79.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.3 | 177 | 58 | 0 | 0 | 0 | 0 | 111.5 | A702 T703 V778 | A702-S756 CarbonylContact C-O 3.49Å; A702-S756 WeakPolarHBondContact CA-O 3.26Å; T703-S756 WeakPolarHBondContact CB-OG 3.13Å; T703-S756 PolarHBondContact N-O 3.31Å; T703-S756 PolarHBondContact O-N 2.89Å; T703-S756 PolarHBondContact O-OG 3.49Å; S756-V778 CarbonylContact C-O 3.51Å; S756-V778 WeakPolarHBondContact CA-O 3.36Å |
| 757 | L | 94.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.5 | 167.7 | -67.8 | 175.5 | 0 | 0 | 0 | 108.8 | V650 L652 A680 F682 V700 S701 A702 F755 S777 V778 | V650-L757 HydrophobicContact CG1-CD1 3.75Å; L652-L757 HydrophobicContact CD1-CD1 3.64Å; L652-L757 HydrophobicContact CD1-CG 4.28Å; A680-L757 HydrophobicContact CB-CD1 3.7Å; F682-L757 HydrophobicContact CZ-CD1 4.14Å; V700-L757 HydrophobicContact CG1-CD2 4.06Å; S701-L757 CarbonylContact O-C 3.59Å; S701-L757 WeakPolarHBondContact O-CA 3.39Å; A702-L757 HydrophobicContact CB-CD2 3.5Å; F755-L757 HydrophobicContact CD1-CG 4.36Å; F755-L757 HydrophobicContact CE1-CD2 3.74Å; F755-L757 HydrophobicContact CE1-CG 3.89Å; L757-S777 CarbonylContact O-C 3.15Å; L757-S777 WeakPolarHBondContact O-CA 3.49Å; L757-S777 VanDerWaalsContact O-CB 3.3Å; L757-S777 WeakPolarHBondContact O-CB 3.42Å; L757-V778 PolarHBondContact N-O 2.98Å; L757-V778 PolarHBondContact O-N 3.15Å |
| 758 | R | 93.2 | Very high | 80.5 | Confident | 135 Ų | 135 | 53.3 Ų | 53.3 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.7 | 167.6 | -57.2 | -169.7 | -171.3 | -170.5 | 6.3 | 108.2 | V700 S701 D706 T776 | V700-R758 CarbonylContact C-O 3.51Å; V700-R758 WeakPolarHBondContact CA-O 3.16Å; S701-R758 PolarHBondContact N-O 3.13Å; S701-R758 PolarHBondContact O-N 3.32Å; D706-R758 IonicContact OD2-NH2 3.24Å; D706-R758 PolarHBondContact OD2-NH2 2.76Å; R758-T776 WeakPolarHBondContact CA-O 3.4Å |
| 759 | F | 91.8 | Very high | 81.5 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.1 | -177.6 | 55.1 | -94.6 | 0 | 0 | 0 | 111.9 | I648 V650 W699 V700 P775 T776 | I648-F759 HydrophobicContact CB-CD2 4.35Å; I648-F759 HydrophobicContact CB-CE2 3.6Å; I648-F759 HydrophobicContact CB-CZ 3.93Å; I648-F759 HydrophobicContact CD1-CD2 3.74Å; I648-F759 HydrophobicContact CD1-CE2 3.71Å; I648-F759 HydrophobicContact CG1-CE2 4.2Å; I648-F759 HydrophobicContact CG2-CD2 4.3Å; I648-F759 HydrophobicContact CG2-CE2 3.86Å; I648-F759 HydrophobicContact CG2-CZ 3.97Å; V650-F759 HydrophobicContact CB-CE1 4.45Å; V650-F759 HydrophobicContact CG2-CD1 4Å; V650-F759 HydrophobicContact CG2-CE1 3.45Å; V650-F759 VanDerWaalsContact CG2-CE1 3.45Å; V650-F759 HydrophobicContact CG2-CZ 3.98Å; W699-F759 WeakPolarHBondContact O-CA 2.88Å; V700-F759 HydrophobicContact CB-CB 4.41Å; V700-F759 HydrophobicContact CG1-CB 4.38Å; V700-F759 HydrophobicContact CG2-CB 3.89Å; F759-P775 WeakPolarHBondContact CZ-O 3.1Å; F759-T776 WeakPolarHBondContact CD1-O 3.44Å; F759-T776 PolarHBondContact N-O 3.31Å |
| 760 | K | 89.6 | Confident | 82.4 | Confident | 123 Ų | 123 | 54.7 Ų | 54.7 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 157.4 | 172.9 | 63.5 | 176.3 | -175 | 167.4 | 0 | 109.3 | L698 W699 | L698-K760 CarbonylContact C-O 3.06Å; L698-K760 WeakPolarHBondContact CA-O 3.38Å; W699-K760 HydrophobicContact CB-CG 3.87Å; W699-K760 PolarHBondContact N-O 3.18Å; W699-K760 PolarHBondContact O-N 3.43Å |
| 761 | I | 87.2 | Confident | 83.5 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.1 | 170.7 | -60.1 | 174.7 | 0 | 0 | 0 | 108.5 | V646 F696 L698 D763 P768 L770 | V646-I761 HydrophobicContact CG2-CD1 3.98Å; F696-I761 HydrophobicContact CD2-CG1 4.39Å; F696-I761 HydrophobicContact CE2-CG1 4.47Å; L698-I761 HydrophobicContact CD2-CB 4.47Å; L698-I761 HydrophobicContact CD2-CG1 3.74Å; I761-D763 VanDerWaalsContact CG2-O 3.27Å; I761-D763 WeakPolarHBondContact CG2-O 3.18Å; I761-P768 HydrophobicContact CD1-CG 4.28Å; I761-P768 WeakPolarHBondContact CD1-O 3.21Å; I761-L770 HydrophobicContact CD1-CD2 3.79Å; I761-L770 HydrophobicContact CD1-CG 3.75Å; I761-L770 HydrophobicContact CG1-CD1 4.41Å; I761-L770 HydrophobicContact CG1-CD2 3.95Å; I761-L770 HydrophobicContact CG1-CG 3.94Å |
| 762 | N | 79.6 | Confident | 83.8 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -81.2 | -48.8 | -175.5 | -168.6 | 42.7 | 0 | 0 | 0 | 111.6 | D697 W699 T764 | D697-N762 HydrophobicContact CB-CB 4.05Å; D697-N762 WeakPolarHBondContact O-CB 3.47Å; D697-N762 PolarHBondContact O-N 3.35Å; W699-N762 HydrophobicContact CB-CB 4.43Å; N762-T764 PolarHBondContact O-N 3.35Å |
| 763 | D | 70.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | trans | -88.9 | 105 | 171.8 | -178 | 8.3 | 0 | 0 | 0 | 110.1 | I761 E765 T766 | I761-D763 VanDerWaalsContact CG2-O 3.27Å; I761-D763 WeakPolarHBondContact CG2-O 3.18Å; D763-E765 WeakPolarHBondContact OD1-CA 3.39Å; D763-E765 WeakPolarHBondContact OD1-CB 3.24Å; D763-E765 PolarHBondContact OD1-N 3.49Å; D763-T766 PolarHBondContact OD1-N 2.88Å; D763-T766 PolarHBondContact OD2-OG1 2.81Å | ||
| 764 | T | 63.9 | Low | 83.6 | Confident | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | trans | -95.4 | 4.3 | 176.9 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | K28 R643 N762 | K28-T764 PolarHBondContact NZ-OG1 3.19Å; K28-T764 VanDerWaalsContact NZ-OG1 3.16Å; R643-T764 VanDerWaalsContact CZ-O 3.29Å; R643-T764 PolarHBondContact NH1-O 3.33Å; R643-T764 VanDerWaalsContact NH2-C 3.32Å; R643-T764 PolarHBondContact NH2-O 3.23Å; N762-T764 PolarHBondContact O-N 3.35Å | ||
| 765 | E | 66.3 | Low | 83.5 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 49% | 0.491 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -94.5 | -49.8 | -175 | -63.7 | -169.7 | 168.7 | 0 | 0 | 112 | K28 H29 D763 | K28-E765 HydrophobicContact CD-CB 4.48Å; K28-E765 HydrophobicContact CD-CG 3.89Å; K28-E765 IonicContact NZ-OE1 2.62Å; H29-E765 PolarHBondContact CE1-O 3.21Å; H29-E765 VanDerWaalsContact CE1-O 3.25Å; D763-E765 WeakPolarHBondContact OD1-CA 3.39Å; D763-E765 WeakPolarHBondContact OD1-CB 3.24Å; D763-E765 PolarHBondContact OD1-N 3.49Å |
| 766 | T | 68.6 | Low | 83.3 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 69% | 0.693 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -118.8 | -7.2 | -175.1 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | D763 | D763-T766 PolarHBondContact OD1-N 2.88Å; D763-T766 PolarHBondContact OD2-OG1 2.81Å |
| 767 | G | 75.4 | Confident | 83.3 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -87.4 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R643 | R643-G767 PolarHBondContact NE-O 3.05Å; R643-G767 VanDerWaalsContact NE-O 3.11Å; R643-G767 PolarHBondContact NH2-O 2.97Å |
| 768 | P | 86.5 | Confident | 83.2 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | trans | -64.6 | 164.8 | 172.6 | 27.2 | -33.6 | 0 | 0 | 0 | 112.2 | S644 V646 F696 I761 | S644-P768 CarbonylContact O-C 3.58Å; S644-P768 WeakPolarHBondContact O-CA 3.3Å; S644-P768 VanDerWaalsContact O-CB 3.26Å; S644-P768 WeakPolarHBondContact O-CB 3.31Å; S644-P768 WeakPolarHBondContact OG-CB 3.33Å; V646-P768 HydrophobicContact CB-CB 4.38Å; V646-P768 HydrophobicContact CG1-CB 3.65Å; V646-P768 HydrophobicContact CG1-CG 4.01Å; V646-P768 HydrophobicContact CG2-CB 3.88Å; V646-P768 HydrophobicContact CG2-CG 3.99Å; F696-P768 HydrophobicContact CB-CG 4.23Å; F696-P768 HydrophobicContact CD1-CG 3.62Å; F696-P768 HydrophobicContact CD2-CG 4.31Å; F696-P768 HydrophobicContact CE1-CG 3.98Å; F696-P768 HydrophobicContact CG-CG 3.8Å; F696-P768 HydrophobicContact CZ-CG 4.45Å; I761-P768 HydrophobicContact CD1-CG 4.28Å; I761-P768 WeakPolarHBondContact CD1-O 3.21Å | ||
| 769 | V | 88.5 | Confident | 83.1 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.2 | 169.2 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | N24 R643 S644 I645 V646 | N24-V769 HydrophobicContact CB-CG2 3.61Å; R643-V769 HydrophobicContact CB-CG1 4.25Å; S644-V769 PolarHBondContact O-N 3.47Å; I645-V769 WeakPolarHBondContact CA-O 2.99Å; I645-V769 HydrophobicContact CG1-CG2 3.85Å; V646-V769 PolarHBondContact N-O 3.02Å |
| 770 | L | 88.1 | Confident | 83 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139 | 174.6 | -67 | 172.3 | 0 | 0 | 0 | 109.9 | V646 I648 I761 E772 T776 | V646-L770 HydrophobicContact CG2-CD2 4.29Å; I648-L770 HydrophobicContact CD1-CD2 3.38Å; I648-L770 HydrophobicContact CG1-CD2 3.97Å; I761-L770 HydrophobicContact CD1-CD2 3.79Å; I761-L770 HydrophobicContact CD1-CG 3.75Å; I761-L770 HydrophobicContact CG1-CD1 4.41Å; I761-L770 HydrophobicContact CG1-CD2 3.95Å; I761-L770 HydrophobicContact CG1-CG 3.94Å; L770-E772 PolarHBondContact O-N 3.34Å; L770-T776 HydrophobicContact CD1-CG2 3.88Å |
| 771 | D | 87.2 | Confident | 82.9 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 8% | 0.075 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 131.6 | 174.7 | -171.1 | 16.5 | 0 | 0 | 0 | 111.8 | I645 V646 Q647 R687 G773 W774 | I645-D771 HydrophobicContact CG2-CB 3.6Å; V646-D771 PolarHBondContact O-N 3.2Å; V646-D771 VanDerWaalsContact O-N 3.09Å; Q647-D771 HydrophobicContact CG-CB 3.76Å; Q647-D771 WeakPolarHBondContact CG-OD2 2.93Å; Q647-D771 PolarHBondContact NE2-OD2 3.01Å; R687-D771 IonicContact NH1-OD1 3.19Å; R687-D771 PolarHBondContact NH1-OD1 2.64Å; R687-D771 IonicContact NH1-OD2 2.68Å; R687-D771 PolarHBondContact NH1-OD2 3.42Å; D771-G773 PolarHBondContact O-N 2.78Å; D771-W774 HydrophobicContact CB-CB 3.95Å; D771-W774 WeakPolarHBondContact O-CB 3.28Å; D771-W774 PolarHBondContact O-N 3.23Å; D771-W774 VanDerWaalsContact O-N 3.11Å |
| 772 | E | 82.1 | Confident | 83 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 129.1 | -175.5 | -168.6 | -168.3 | 148 | 0 | 0 | 109.7 | K596 L770 W774 | K596-E772 IonicContact NZ-OE1 2.68Å; K596-E772 PolarHBondContact NZ-OE1 3.18Å; K596-E772 IonicContact NZ-OE2 3.26Å; L770-E772 PolarHBondContact O-N 3.34Å; E772-W774 PolarHBondContact O-N 3.07Å |
| 773 | G | 79.3 | Confident | 83.1 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 84% | 0.835 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D771 | D771-G773 PolarHBondContact O-N 2.78Š|
| 774 | W | 86.6 | Confident | 83.5 | Confident | 89 Ų | 89 | 62.4 Ų | 62.4 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | trans | -71.7 | 136.7 | 173.3 | -159 | -101.2 | 0 | 0 | 0 | 111.5 | Q647 I648 N649 D771 E772 T776 | Q647-W774 HydrophobicContact CB-CD2 4.16Å; Q647-W774 HydrophobicContact CB-CG 4.29Å; Q647-W774 HydrophobicContact CG-CD2 3.87Å; Q647-W774 HydrophobicContact CG-CE3 4.15Å; Q647-W774 HydrophobicContact CG-CG 4.1Å; I648-W774 PolarHBondContact O-NE1 3.43Å; N649-W774 VanDerWaalsContact OD1-CZ2 3.27Å; N649-W774 WeakPolarHBondContact OD1-CZ2 3.32Å; D771-W774 HydrophobicContact CB-CB 3.95Å; D771-W774 WeakPolarHBondContact O-CB 3.28Å; D771-W774 PolarHBondContact O-N 3.23Å; D771-W774 VanDerWaalsContact O-N 3.11Å; E772-W774 PolarHBondContact O-N 3.07Å; W774-T776 PolarHBondContact O-N 3.39Å | ||
| 775 | P | 87.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 49% | 0.494 | 36% | 0.362 | S | S | . | . | trans | -61.3 | 120.9 | -175.8 | -23.1 | 32.8 | 0 | 0 | 0 | 112.7 | F759 S777 | F759-P775 WeakPolarHBondContact CZ-O 3.1Å; P775-S777 VanDerWaalsContact C-N 3.35Å | ||
| 776 | T | 90.6 | Very high | 83.5 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -94.7 | 9.3 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | R758 F759 L770 W774 | R758-T776 WeakPolarHBondContact CA-O 3.4Å; F759-T776 WeakPolarHBondContact CD1-O 3.44Å; F759-T776 PolarHBondContact N-O 3.31Å; L770-T776 HydrophobicContact CD1-CG2 3.88Å; W774-T776 PolarHBondContact O-N 3.39Å | ||
| 777 | S | 91.8 | Very high | 83.1 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.9 | 177.2 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | L757 P775 | L757-S777 CarbonylContact O-C 3.15Å; L757-S777 WeakPolarHBondContact O-CA 3.49Å; L757-S777 VanDerWaalsContact O-CB 3.3Å; L757-S777 WeakPolarHBondContact O-CB 3.42Å; P775-S777 VanDerWaalsContact C-N 3.35Å |
| 778 | V | 91.9 | Very high | 82.6 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | V650 S756 L757 | V650-V778 HydrophobicContact CB-CG2 3.9Å; V650-V778 HydrophobicContact CG1-CG2 4.38Å; S756-V778 CarbonylContact C-O 3.51Å; S756-V778 WeakPolarHBondContact CA-O 3.36Å; L757-V778 PolarHBondContact N-O 2.98Å; L757-V778 PolarHBondContact O-N 3.15Å |
| 779 | K | 91 | Very high | 81.7 | Confident | 101 Ų | 101 | 63 Ų | 63 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132.7 | 179.9 | -173.5 | 178.4 | -178.6 | 178.2 | 0 | 111.2 | S754 F755 | S754-K779 VanDerWaalsContact CB-CE 3.44Å; F755-K779 CarbonylContact O-C 3.48Å; F755-K779 VanDerWaalsContact O-CA 3.32Å; F755-K779 WeakPolarHBondContact O-CA 3.26Å |
| 780 | K | 90.6 | Very high | 80.3 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166.9 | 168.7 | -75 | -157.5 | 172.5 | 177.5 | 0 | 112.1 | L652 F654 S754 F755 | L652-K780 HydrophobicContact CB-CD 4.35Å; L652-K780 HydrophobicContact CD2-CB 3.91Å; L652-K780 HydrophobicContact CD2-CG 4.25Å; L652-K780 PolarHBondContact O-NZ 2.94Å; F654-K780 HydrophobicContact CE2-CB 3.81Å; F654-K780 HydrophobicContact CE2-CD 4.19Å; F654-K780 HydrophobicContact CZ-CB 4.06Å; S754-K780 CarbonylContact C-O 3.57Å; S754-K780 WeakPolarHBondContact CA-O 3.46Å; F755-K780 PolarHBondContact N-O 3.07Å; F755-K780 PolarHBondContact O-N 3.23Å |
| 781 | S | 87.3 | Confident | 79.3 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.3 | -176.3 | 57 | 0 | 0 | 0 | 0 | 111.4 | I753 | I753-S781 CarbonylContact O-C 3.46Å; I753-S781 WeakPolarHBondContact O-CA 3.16Å |
| 782 | I | 89 | Confident | 78 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.1 | -178.5 | -49.6 | 142.8 | 0 | 0 | 0 | 109.9 | F654 I659 L676 F741 P752 I753 F755 | F654-I782 HydrophobicContact CD1-CD1 3.87Å; F654-I782 HydrophobicContact CD1-CG1 3.86Å; F654-I782 HydrophobicContact CD2-CG1 3.92Å; F654-I782 HydrophobicContact CE1-CD1 3.62Å; F654-I782 HydrophobicContact CE1-CG1 3.76Å; F654-I782 HydrophobicContact CE2-CG1 3.82Å; F654-I782 HydrophobicContact CG-CD1 4.43Å; F654-I782 HydrophobicContact CG-CG1 3.91Å; F654-I782 HydrophobicContact CZ-CD1 3.96Å; F654-I782 HydrophobicContact CZ-CG1 3.71Å; I659-I782 HydrophobicContact CD1-CB 4.22Å; I659-I782 HydrophobicContact CD1-CG2 3.81Å; I659-I782 HydrophobicContact CG1-CG2 3.81Å; L676-I782 HydrophobicContact CD2-CG2 3.89Å; F741-I782 HydrophobicContact CE2-CD1 4Å; F741-I782 HydrophobicContact CZ-CD1 3.58Å; P752-I782 CarbonylContact C-O 3.55Å; P752-I782 WeakPolarHBondContact CA-O 3.33Å; P752-I782 WeakPolarHBondContact CB-O 3.49Å; I753-I782 HydrophobicContact CB-CD1 4.31Å; I753-I782 HydrophobicContact CG2-CD1 4.36Å; I753-I782 PolarHBondContact N-O 3.1Å; I753-I782 PolarHBondContact O-N 3.5Å; F755-I782 HydrophobicContact CB-CD1 4.48Å |
| 783 | P | 81.6 | Confident | 77.5 | Confident | 65 Ų | 65 | 78.1 Ų | 78.1 | 42% | 0.422 | 44% | 0.442 | S | S | . | . | trans | -85 | 170.8 | -175.5 | 34.2 | -36 | 0 | 0 | 0 | 114.7 | S658 I659 | S658-P783 CarbonylContact C-O 3.53Å; S658-P783 WeakPolarHBondContact CA-O 3.37Å; I659-P783 PolarHBondContact N-O 3.07Å | ||
| 784 | F | 79.2 | Confident | 77.2 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 159.6 | 179.3 | -65.5 | -90.2 | 0 | 0 | 0 | 113.8 | I659 V661 V743 Y749 R751 I753 | I659-F784 HydrophobicContact CB-CD1 3.59Å; I659-F784 HydrophobicContact CB-CE1 3.91Å; I659-F784 HydrophobicContact CB-CG 4.28Å; I659-F784 HydrophobicContact CD1-CD1 4.15Å; I659-F784 HydrophobicContact CD1-CE1 3.82Å; I659-F784 HydrophobicContact CD1-CE2 4.39Å; I659-F784 HydrophobicContact CD1-CZ 3.96Å; I659-F784 HydrophobicContact CG1-CD1 4.5Å; I659-F784 HydrophobicContact CG1-CE1 4.48Å; I659-F784 HydrophobicContact CG2-CD1 3.61Å; I659-F784 HydrophobicContact CG2-CE1 3.63Å; I659-F784 CarbonylContact O-C 3.57Å; I659-F784 WeakPolarHBondContact O-CA 3.07Å; V661-F784 HydrophobicContact CG2-CB 3.9Å; V661-F784 HydrophobicContact CG2-CD1 3.81Å; V661-F784 HydrophobicContact CG2-CG 4.25Å; V743-F784 HydrophobicContact CG1-CE1 4.19Å; V743-F784 HydrophobicContact CG1-CZ 4.43Å; Y749-F784 AromaticContact CD1-CD1 3.77Å; Y749-F784 HydrophobicContact CD1-CD1 3.77Å; Y749-F784 AromaticContact CD1-CE1 3.68Å; Y749-F784 HydrophobicContact CD1-CE1 3.68Å; Y749-F784 HydrophobicContact CD1-CG 4.36Å; Y749-F784 HydrophobicContact CD1-CZ 4.2Å; Y749-F784 HydrophobicContact CE1-CE1 4.3Å; Y749-F784 WeakPolarHBondContact O-CB 3.4Å; Y749-F784 WeakPolarHBondContact O-CD2 3.42Å; Y749-F784 WeakPolarHBondContact O-CG 3.43Å; R751-F784 WeakPolarHBondContact O-CE2 3.32Å; I753-F784 HydrophobicContact CD1-CZ 3.9Å; I753-F784 HydrophobicContact CG1-CE2 4.11Å; I753-F784 HydrophobicContact CG1-CZ 3.83Å |
| 785 | F | 67.1 | Low | 77.2 | Confident | 95 Ų | 95 | 72.2 Ų | 72.2 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152 | -176 | -177.4 | -93.1 | 0 | 0 | 0 | 114.7 | I659 V661 | I659-F785 PolarHBondContact O-N 3.37Å; V661-F785 WeakPolarHBondContact CG2-O 3.39Å |
| 786 | K | 64.3 | Low | 77.3 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | trans | -119 | 158.2 | -169.7 | -61.8 | -179.5 | 178.9 | 178.6 | 0 | 115.2 | Y837 D915 | K786-Y837 HydrophobicContact CB-CE1 4.49Å; K786-Y837 HydrophobicContact CD-CD1 4.31Å; K786-Y837 HydrophobicContact CD-CG 4.17Å; K786-Y837 HydrophobicContact CG-CD1 4.3Å; K786-D915 IonicContact NZ-OD2 2.85Å; K786-D915 PolarHBondContact NZ-OD2 3.14Å | ||
| 787 | D | 60.1 | Low | 77.4 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | trans | -105.1 | 112.6 | -177.9 | -156.4 | -6.9 | 0 | 0 | 0 | 112.6 | I662 C794 Y837 | I662-D787 HydrophobicContact CD1-CB 3.39Å; I662-D787 HydrophobicContact CG1-CB 4.24Å; D787-C794 PolarHBondContact O-SG 2.87Å; D787-Y837 WeakPolarHBondContact CB-OH 3.35Å; D787-Y837 WeakPolarHBondContact O-CE2 3.35Å; D787-Y837 PolarHBondContact O-OH 3.34Å | ||
| 788 | C | 65.2 | Low | 77.5 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | trans | -138.2 | 24.5 | -167.2 | -71.7 | 0 | 0 | 0 | 0 | 116.2 | D792 V793 C794 | C788-D792 WeakPolarHBondContact CB-O 3.17Å; C788-V793 PolarHBondContact O-N 3.26Å; C788-C794 WeakPolarHBondContact CA-SG 3.43Å; C788-C794 HydrophobicContact CB-CB 3.95Å; C788-C794 VanDerWaalsContact CB-N 3.3Å; C788-C794 WeakPolarHBondContact CB-SG 3.08Å; C788-C794 WeakPolarHBondContact SG-CB 3.38Å; C788-C794 PolarHBondContact SG-N 3.49Å; C788-C794 CovalentContact SG-SG 2.04Å; C788-C794 PolarHBondContact SG-SG 3.36Å | ||
| 789 | G | 66.6 | Low | 77.6 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -171.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D791 D792 | G789-D791 VanDerWaalsContact C-N 3.26Å; G789-D791 PolarHBondContact O-N 3.36Å; G789-D792 PolarHBondContact O-N 2.97Å |
| 790 | E | 58.3 | Low | 77.7 | Confident | 211 Ų | 211 | 57.4 Ų | 57.4 | 99% | 0.986 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.4 | -174.4 | -70.5 | -168.3 | 166 | 0 | 0 | 114.2 | ||
| 791 | D | 66.9 | Low | 77.9 | Confident | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 0 | 176.9 | 59.2 | -2.6 | 0 | 0 | 0 | 113.2 | G789 V793 | G789-D791 VanDerWaalsContact C-N 3.26Å; G789-D791 PolarHBondContact O-N 3.36Å; D791-V793 WeakPolarHBondContact O-CG2 3.48Å; D791-V793 PolarHBondContact O-N 2.92Å; D791-V793 VanDerWaalsContact O-N 3.09Å; D791-V793 PolarHBondContact OD1-N 3.46Å |
| 792 | D | 61.1 | Low | 78.1 | Confident | 109 Ų | 109 | 53.8 Ų | 53.8 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 21 | -176.5 | -79.4 | -32.4 | 0 | 0 | 0 | 113.7 | C788 G789 | C788-D792 WeakPolarHBondContact CB-O 3.17Å; G789-D792 PolarHBondContact O-N 2.97Å |
| 793 | V | 71.5 | Confident | 78.1 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | trans | -125.3 | 100.1 | -178.5 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | C788 D791 T795 S917 | C788-V793 PolarHBondContact O-N 3.26Å; D791-V793 WeakPolarHBondContact O-CG2 3.48Å; D791-V793 PolarHBondContact O-N 2.92Å; D791-V793 VanDerWaalsContact O-N 3.09Å; D791-V793 PolarHBondContact OD1-N 3.46Å; V793-T795 PolarHBondContact O-N 3.08Å; V793-S917 WeakPolarHBondContact CG1-OG 3.32Å | ||
| 794 | C | 73.7 | Confident | 78.3 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | trans | -69.3 | 124 | -179.3 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | D787 C788 Y837 S916 S917 | D787-C794 PolarHBondContact O-SG 2.87Å; C788-C794 WeakPolarHBondContact CA-SG 3.43Å; C788-C794 HydrophobicContact CB-CB 3.95Å; C788-C794 VanDerWaalsContact CB-N 3.3Å; C788-C794 WeakPolarHBondContact CB-SG 3.08Å; C788-C794 WeakPolarHBondContact SG-CB 3.38Å; C788-C794 PolarHBondContact SG-N 3.49Å; C788-C794 CovalentContact SG-SG 2.04Å; C788-C794 PolarHBondContact SG-SG 3.36Å; C794-Y837 HydrophobicContact CB-CD2 4.42Å; C794-Y837 VanDerWaalsContact SG-CD2 3.59Å; C794-Y837 WeakPolarHBondContact SG-CE2 3.36Å; C794-S916 WeakPolarHBondContact CB-OG 3.03Å; C794-S916 CarbonylContact O-C 3.51Å; C794-S916 WeakPolarHBondContact O-CA 3.37Å; C794-S916 VanDerWaalsContact O-CB 3.29Å; C794-S916 WeakPolarHBondContact O-CB 3.38Å; C794-S917 PolarHBondContact O-N 2.95Å; C794-S917 PolarHBondContact O-OG 3.21Å | ||
| 795 | T | 86.3 | Confident | 78.4 | Confident | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.5 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 114.4 | V793 E834 S917 | V793-T795 PolarHBondContact O-N 3.08Å; T795-E834 PolarHBondContact N-OE2 3.17Å; T795-E834 WeakPolarHBondContact O-CB 3.42Å; T795-E834 WeakPolarHBondContact O-CG 3.47Å; T795-E834 PolarHBondContact O-N 3.43Å; T795-E834 VanDerWaalsContact O-N 3.15Å; T795-S917 CarbonylContact C-O 3.58Å; T795-S917 WeakPolarHBondContact CA-O 3.45Å; T795-S917 PolarHBondContact OG1-OG 2.94Å; T795-S917 VanDerWaalsContact OG1-OG 3.09Å |
| 796 | T | 89.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 168.1 | -174.4 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | N835 A836 S914 S917 E918 | T796-N835 VanDerWaalsContact CG2-O 3.3Å; T796-N835 WeakPolarHBondContact CG2-O 3.25Å; T796-A836 HydrophobicContact CG2-CB 3.44Å; T796-A836 VanDerWaalsContact CG2-CB 3.44Å; T796-S914 PolarHBondContact OG1-OG 2.93Å; T796-S917 PolarHBondContact N-O 3.28Å; T796-E918 WeakPolarHBondContact O-CB 3.49Å; T796-E918 VanDerWaalsContact O-CG 3.24Å; T796-E918 WeakPolarHBondContact O-CG 3.08Å |
| 797 | D | 92.3 | Very high | 78.5 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -143.9 | 111 | 171.3 | 174.9 | 21.5 | 0 | 0 | 0 | 109.3 | N831 R832 L833 E918 T922 | D797-N831 CarbonylContact O-C 3.39Å; D797-N831 VanDerWaalsContact O-CA 3.29Å; D797-N831 WeakPolarHBondContact O-CA 3.19Å; D797-N831 PolarHBondContact O-OD1 3.13Å; D797-R832 HydrophobicContact CB-CB 4.07Å; D797-R832 PolarHBondContact O-N 3.12Å; D797-R832 WeakPolarHBondContact OD2-CB 3.45Å; D797-R832 WeakPolarHBondContact OD2-CD 3.36Å; D797-L833 HydrophobicContact CB-CB 4.02Å; D797-L833 HydrophobicContact CB-CD1 3.7Å; D797-L833 HydrophobicContact CB-CG 3.63Å; D797-E918 WeakPolarHBondContact CA-OE1 3.45Å; D797-T922 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 798 | L | 93.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.8 | -172 | -71.7 | -178.3 | 0 | 0 | 0 | 111.7 | E830 N831 A836 T839 F883 A912 E918 N926 | L798-E830 CarbonylContact C-O 3.52Å; L798-E830 WeakPolarHBondContact CA-O 3.4Å; L798-N831 HydrophobicContact CD2-CB 3.84Å; L798-A836 HydrophobicContact CD2-CB 4.31Å; L798-T839 HydrophobicContact CD1-CG2 4.03Å; L798-T839 HydrophobicContact CD2-CG2 4.13Å; L798-F883 HydrophobicContact CD2-CD1 3.8Å; L798-F883 HydrophobicContact CD2-CE1 3.92Å; L798-A912 HydrophobicContact CD1-CB 4.31Å; L798-E918 PolarHBondContact N-OE1 2.77Å; L798-N926 WeakPolarHBondContact CB-OD1 3.33Å; L798-N926 PolarHBondContact O-ND2 3.14Å; L798-N926 PolarHBondContact O-OD1 3.33Å |
| 799 | V | 94 | Very high | 78.3 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.4 | -174.7 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | L829 E830 R832 D925 | V799-L829 WeakPolarHBondContact O-CA 3.33Å; V799-L829 WeakPolarHBondContact O-CD1 3.48Å; V799-E830 HydrophobicContact CB-CB 4.43Å; V799-E830 PolarHBondContact N-O 2.6Å; V799-E830 PolarHBondContact O-N 3.19Å; V799-R832 HydrophobicContact CG2-CG 4.46Å; V799-D925 HydrophobicContact CG1-CB 4.41Å; V799-D925 WeakPolarHBondContact CG2-OD2 3.42Å |
| 800 | L | 94.7 | Very high | 77.9 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136.5 | -170.8 | -177.3 | 68.5 | 0 | 0 | 0 | 114 | V827 Q828 L829 L841 L910 D925 N926 V928 | L800-V827 HydrophobicContact CD1-CG1 3.68Å; L800-Q828 WeakPolarHBondContact CA-O 3.42Å; L800-L829 HydrophobicContact CB-CD1 4.33Å; L800-L829 HydrophobicContact CD1-CB 4.4Å; L800-L829 HydrophobicContact CD1-CD1 4.24Å; L800-L841 HydrophobicContact CD1-CD1 3.7Å; L800-L841 HydrophobicContact CD2-CD1 3.64Å; L800-L841 HydrophobicContact CG-CD1 4.35Å; L800-L910 HydrophobicContact CD2-CB 3.78Å; L800-D925 PolarHBondContact N-O 2.97Å; L800-N926 WeakPolarHBondContact CD2-O 3.31Å; L800-V928 HydrophobicContact CD2-CG2 4.45Å; L800-V928 HydrophobicContact CG-CG2 4.22Å; L800-V928 WeakPolarHBondContact O-CG2 2.98Å |
| 801 | Q | 93.2 | Very high | 78.1 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.1 | 173.6 | -60.6 | -178.5 | -0.8 | 0 | 0 | 111.9 | V827 Q828 | Q801-V827 CarbonylContact O-C 3.54Å; Q801-V827 WeakPolarHBondContact O-CA 3.42Å; Q801-Q828 HydrophobicContact CB-CB 4.37Å; Q801-Q828 PolarHBondContact N-O 2.75Å; Q801-Q828 PolarHBondContact O-N 3.3Å |
| 802 | A | 92.2 | Very high | 77.9 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 151.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V825 E826 V827 L910 V928 L930 | A802-V825 HydrophobicContact CB-CG1 4.35Å; A802-E826 CarbonylContact C-O 3.48Å; A802-E826 WeakPolarHBondContact CA-O 3.45Å; A802-V827 HydrophobicContact CB-CG2 4.09Å; A802-L910 HydrophobicContact CB-CD2 4.14Å; A802-V928 HydrophobicContact CB-CB 4.47Å; A802-V928 HydrophobicContact CB-CG1 4.09Å; A802-L930 HydrophobicContact CB-CD1 4.2Å |
| 803 | H | 88.6 | Confident | 78.3 | Confident | 126 Ų | 126 | 66 Ų | 66 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.4 | -179.9 | -55.9 | 92.7 | 0 | 0 | 0 | 113.9 | V825 E826 | H803-V825 CarbonylContact O-C 3.5Å; H803-V825 VanDerWaalsContact O-CA 3.29Å; H803-V825 WeakPolarHBondContact O-CA 3.43Å; H803-V825 WeakPolarHBondContact O-CG1 3.44Å; H803-E826 PolarHBondContact N-O 3.26Å; H803-E826 PolarHBondContact O-N 3.45Å |
| 804 | L | 86.3 | Confident | 78.7 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139 | -179.2 | -65.4 | 177.7 | 0 | 0 | 0 | 113.9 | L823 V825 M908 L930 T932 | L804-L823 HydrophobicContact CD2-CD1 4.24Å; L804-V825 HydrophobicContact CD2-CG1 4.43Å; L804-V825 HydrophobicContact CD2-CG2 3.64Å; L804-M908 HydrophobicContact CD2-SD 3.73Å; L804-L930 HydrophobicContact CD1-CB 3.9Å; L804-L930 HydrophobicContact CD2-CB 4.13Å; L804-L930 HydrophobicContact CD2-CD1 3.75Å; L804-L930 HydrophobicContact CG-CB 3.87Å; L804-L930 HydrophobicContact CG-CD1 3.9Å; L804-L930 HydrophobicContact CG-CG 4.3Å; L804-T932 HydrophobicContact CD1-CG2 4.1Å |
| 805 | D | 81.6 | Confident | 79 | Confident | 113 Ų | 113 | 65.7 Ų | 65.7 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 114.8 | 170.5 | -174.6 | 17.7 | 0 | 0 | 0 | 112 | L823 A824 | D805-L823 WeakPolarHBondContact O-CD1 3.49Å; D805-A824 HydrophobicContact CB-CB 4.49Å; D805-A824 PolarHBondContact N-O 3.19Å; D805-A824 PolarHBondContact O-N 2.97Å |
| 806 | I | 73.5 | Confident | 78.8 | Confident | 24 Ų | 24 | 64 Ų | 64 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.7 | -176.3 | -64.8 | 169.3 | 0 | 0 | 0 | 110.6 | G808 Y814 L823 T932 | I806-G808 PolarHBondContact O-N 3.09Å; I806-G808 VanDerWaalsContact O-N 3.11Å; I806-Y814 HydrophobicContact CD1-CD2 4.03Å; I806-Y814 HydrophobicContact CD1-CE2 4.13Å; I806-Y814 HydrophobicContact CG2-CD1 4.04Å; I806-Y814 HydrophobicContact CG2-CE1 4.5Å; I806-Y814 HydrophobicContact CG2-CG 4.11Å; I806-L823 HydrophobicContact CB-CD1 4.46Å; I806-L823 HydrophobicContact CD1-CD1 4.26Å; I806-L823 HydrophobicContact CG1-CD1 3.36Å; I806-T932 HydrophobicContact CD1-CG2 3.63Å |
| 807 | S | 60.4 | Low | 78.1 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | trans | -85.4 | 76.3 | 174.9 | 30.3 | 0 | 0 | 0 | 0 | 111.7 | R822 | S807-R822 PolarHBondContact OG-O 2.73Š| ||
| 808 | G | 61.2 | Low | 77 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -135.8 | -155.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | I806 | I806-G808 PolarHBondContact O-N 3.09Å; I806-G808 VanDerWaalsContact O-N 3.11Å |
| 809 | T | 59.5 | Low | 75.6 | Confident | 56 Ų | 56 | 77 Ų | 77 | 34% | 0.344 | 39% | 0.39 | S | S | . | . | trans | -64.4 | 141 | 170.4 | 46 | 0 | 0 | 0 | 0 | 110.7 | Q811 Y814 V815 | T809-Q811 PolarHBondContact O-N 3.42Å; T809-Q811 VanDerWaalsContact O-N 3.13Å; T809-Q811 PolarHBondContact OG1-O 2.87Å; T809-Y814 WeakPolarHBondContact O-CD1 3.43Å; T809-Y814 VanDerWaalsContact O-CE1 3.31Å; T809-Y814 WeakPolarHBondContact O-CE1 3.23Å; T809-V815 PolarHBondContact OG1-N 2.04Å | ||
| 810 | R | 58.9 | Low | 74.3 | Confident | 254 Ų | 254 | 85.4 Ų | 85.4 | 96% | 0.958 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -66.8 | -11.5 | 179.3 | -70.3 | -174 | 179.3 | -176.4 | -0.2 | 114.1 | ||
| 811 | Q | 60.7 | Low | 73.6 | Confident | 162 Ų | 162 | 87.8 Ų | 87.8 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -99.5 | 137.8 | 179 | -76.4 | 176.7 | -20.2 | 0 | 0 | 111.1 | T809 P813 | T809-Q811 PolarHBondContact O-N 3.42Å; T809-Q811 VanDerWaalsContact O-N 3.13Å; T809-Q811 PolarHBondContact OG1-O 2.87Å; Q811-P813 CarbonylContact O-C 3.54Å; Q811-P813 VanDerWaalsContact O-O 3.08Å |
| 812 | K | 63.9 | Low | 73.1 | Confident | 160 Ų | 160 | 91 Ų | 91 | 70% | 0.696 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -86.5 | 138.2 | 172.3 | -69.3 | -178.4 | 177.6 | -179.2 | 0 | 109.6 | Y814 | K812-Y814 HydrophobicContact CD-CE2 4.4Å; K812-Y814 HydrophobicContact CG-CD2 4.4Å; K812-Y814 HydrophobicContact CG-CE2 3.77Å |
| 813 | P | 68.6 | Low | 72.9 | Confident | 60 Ų | 60 | 90.8 Ų | 90.8 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | S | Bend | cis | -72.5 | 149.1 | -1.7 | 30.7 | -34.6 | 0 | 0 | 0 | 112.8 | Q811 Q935 | Q811-P813 CarbonylContact O-C 3.54Å; Q811-P813 VanDerWaalsContact O-O 3.08Å; P813-Q935 HydrophobicContact CG-CG 4.34Å |
| 814 | Y | 80.3 | Confident | 72.9 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.8 | -179.2 | -61.3 | -87.6 | 0 | 0 | 0 | 110.5 | I806 T809 K812 V934 Q935 | I806-Y814 HydrophobicContact CD1-CD2 4.03Å; I806-Y814 HydrophobicContact CD1-CE2 4.13Å; I806-Y814 HydrophobicContact CG2-CD1 4.04Å; I806-Y814 HydrophobicContact CG2-CE1 4.5Å; I806-Y814 HydrophobicContact CG2-CG 4.11Å; T809-Y814 WeakPolarHBondContact O-CD1 3.43Å; T809-Y814 VanDerWaalsContact O-CE1 3.31Å; T809-Y814 WeakPolarHBondContact O-CE1 3.23Å; K812-Y814 HydrophobicContact CD-CE2 4.4Å; K812-Y814 HydrophobicContact CG-CD2 4.4Å; K812-Y814 HydrophobicContact CG-CE2 3.77Å; Y814-V934 CarbonylContact O-C 3.58Å; Y814-V934 WeakPolarHBondContact O-CA 3.09Å; Y814-Q935 PolarHBondContact O-N 3.27Å |
| 815 | V | 79.4 | Confident | 73.1 | Confident | 32 Ų | 32 | 83 Ų | 83 | 19% | 0.194 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.6 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 110 | T809 E937 T1105 | T809-V815 PolarHBondContact OG1-N 2.04Å; V815-E937 HydrophobicContact CG1-CB 4.43Å; V815-T1105 HydrophobicContact CG1-CG2 4.34Å |
| 816 | I | 82.3 | Confident | 73.5 | Confident | 4 Ų | 4 | 82.2 Ų | 82.2 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.2 | -177.5 | -49.4 | -56.3 | 0 | 0 | 0 | 109.7 | R821 F897 V934 Q935 Y936 E937 | I816-R821 HydrophobicContact CG2-CG 4.33Å; I816-F897 HydrophobicContact CD1-CD2 4.04Å; I816-F897 HydrophobicContact CD1-CE2 3.6Å; I816-F897 HydrophobicContact CD1-CZ 3.91Å; I816-F897 HydrophobicContact CG1-CD2 4.19Å; I816-F897 HydrophobicContact CG1-CE1 4.42Å; I816-F897 HydrophobicContact CG1-CE2 4.11Å; I816-F897 HydrophobicContact CG1-CG 4.41Å; I816-F897 HydrophobicContact CG1-CZ 4.22Å; I816-F897 HydrophobicContact CG2-CB 4.25Å; I816-F897 HydrophobicContact CG2-CD2 3.95Å; I816-F897 HydrophobicContact CG2-CG 4.15Å; I816-V934 HydrophobicContact CG1-CB 4.3Å; I816-Q935 PolarHBondContact N-O 3.26Å; I816-Y936 HydrophobicContact CB-CD1 4.09Å; I816-Y936 HydrophobicContact CB-CE1 4.31Å; I816-Y936 HydrophobicContact CG1-CE1 4.38Å; I816-E937 PolarHBondContact O-N 3.29Å |
| 817 | R | 76.3 | Confident | 74.4 | Confident | 138 Ų | 138 | 81.2 Ų | 81.2 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149 | 178.4 | -63.4 | -176.9 | 170.9 | 162.3 | 2.3 | 110.8 | P819 R820 E937 | R817-P819 VanDerWaalsContact C-CD 3.41Å; R817-P819 VanDerWaalsContact C-N 3.31Å; R817-P819 HydrophobicContact CB-CG 4.48Å; R817-P819 VanDerWaalsContact O-N 3.11Å; R817-R820 CarbonylContact O-C 3.55Å; R817-R820 PolarHBondContact O-N 2.85Å; R817-E937 HydrophobicContact CG-CB 4.5Å; R817-E937 IonicContact CZ-OE2 2.93Å; R817-E937 IonicContact NE-OE2 2.77Å; R817-E937 PolarHBondContact NE-OE2 3.33Å; R817-E937 IonicContact NH2-OE2 3.78Å |
| 818 | S | 67.2 | Low | 75.9 | Confident | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.3 | -43.8 | 178.4 | -167.2 | 0 | 0 | 0 | 0 | 115.3 | R820 R821 D939 | S818-R820 PolarHBondContact O-N 2.89Å; S818-R821 WeakPolarHBondContact O-CG 3.43Å; S818-D939 WeakPolarHBondContact CB-OD2 3.03Å; S818-D939 PolarHBondContact OG-OD2 3.49Å |
| 819 | P | 64.8 | Low | 77.4 | Confident | 114 Ų | 114 | 78.3 Ų | 78.3 | 74% | 0.74 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.8 | 180 | 30.2 | -36.5 | 0 | 0 | 0 | 116.2 | R817 | R817-P819 VanDerWaalsContact C-CD 3.41Å; R817-P819 VanDerWaalsContact C-N 3.31Å; R817-P819 HydrophobicContact CB-CG 4.48Å; R817-P819 VanDerWaalsContact O-N 3.11Å |
| 820 | R | 67.8 | Low | 79 | Confident | 189 Ų | 189 | 77.8 Ų | 77.8 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | B | Isolated β-bridge | trans | -138.4 | 82 | -176.9 | -69 | -171.9 | -177 | -175.4 | 1.1 | 111.2 | R817 S818 | R817-R820 CarbonylContact O-C 3.55Å; R817-R820 PolarHBondContact O-N 2.85Å; S818-R820 PolarHBondContact O-N 2.89Å |
| 821 | R | 78.3 | Confident | 80.6 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | trans | -109.5 | 23.8 | -173.6 | -56.9 | -175.4 | -55.1 | -167.7 | 0.6 | 114.8 | I816 S818 E896 F897 C899 C978 | I816-R821 HydrophobicContact CG2-CG 4.33Å; S818-R821 WeakPolarHBondContact O-CG 3.43Å; R821-E896 HydrophobicContact CB-CG 3.83Å; R821-E896 IonicContact CZ-OE1 3.57Å; R821-E896 IonicContact NE-OE1 3.62Å; R821-E896 PolarHBondContact NE-OE1 2.97Å; R821-E896 IonicContact NH2-OE1 3.18Å; R821-E896 PolarHBondContact NH2-OE1 3.01Å; R821-E896 CarbonylContact O-C 3.52Å; R821-E896 VanDerWaalsContact O-CA 3.23Å; R821-E896 WeakPolarHBondContact O-CA 3.4Å; R821-E896 WeakPolarHBondContact O-CG 3.49Å; R821-F897 HydrophobicContact CB-CB 4.37Å; R821-F897 WeakPolarHBondContact O-CD2 3.49Å; R821-F897 PolarHBondContact O-N 3.44Å; R821-C899 PolarHBondContact NH1-SG 3.41Å; R821-C978 PolarHBondContact NH1-SG 3.19Å | ||
| 822 | R | 83.8 | Confident | 82 | Confident | 167 Ų | 167 | 62.9 Ų | 62.9 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 144.8 | -171.7 | -62.6 | -174.4 | -178.4 | -176.9 | -0.1 | 113.7 | S807 F895 | S807-R822 PolarHBondContact OG-O 2.73Å; R822-F895 CarbonylContact C-O 3.49Å; R822-F895 WeakPolarHBondContact CA-O 3.48Å |
| 823 | L | 87.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.1 | 172.4 | 162.5 | 70.5 | 0 | 0 | 0 | 108.5 | L804 D805 I806 L849 F895 F897 V906 M908 | L804-L823 HydrophobicContact CD2-CD1 4.24Å; D805-L823 WeakPolarHBondContact O-CD1 3.49Å; I806-L823 HydrophobicContact CB-CD1 4.46Å; I806-L823 HydrophobicContact CD1-CD1 4.26Å; I806-L823 HydrophobicContact CG1-CD1 3.36Å; L823-L849 HydrophobicContact CB-CD2 4.44Å; L823-L849 HydrophobicContact CD2-CD1 3.47Å; L823-L849 VanDerWaalsContact CD2-CD1 3.47Å; L823-L849 HydrophobicContact CD2-CD2 3.71Å; L823-L849 HydrophobicContact CD2-CG 4.25Å; L823-F895 HydrophobicContact CB-CB 4.19Å; L823-F895 HydrophobicContact CD2-CB 4.29Å; L823-F895 HydrophobicContact CG-CB 4.41Å; L823-F895 PolarHBondContact N-O 2.89Å; L823-F895 PolarHBondContact O-N 3.02Å; L823-F897 HydrophobicContact CB-CE2 4.27Å; L823-V906 HydrophobicContact CD2-CG1 4.26Å; L823-M908 HydrophobicContact CD2-SD 4.1Å |
| 824 | A | 88.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 60 Ų | 60 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D805 M892 L893 | D805-A824 HydrophobicContact CB-CB 4.49Å; D805-A824 PolarHBondContact N-O 3.19Å; D805-A824 PolarHBondContact O-N 2.97Å; A824-M892 HydrophobicContact CB-CG 4.21Å; A824-M892 HydrophobicContact CB-SD 4.01Å; A824-L893 CarbonylContact C-O 3.6Å; A824-L893 WeakPolarHBondContact CA-O 3.25Å |
| 825 | V | 90.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.9 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | A802 H803 L804 V827 M892 L893 F895 M908 L930 | A802-V825 HydrophobicContact CB-CG1 4.35Å; H803-V825 CarbonylContact O-C 3.5Å; H803-V825 VanDerWaalsContact O-CA 3.29Å; H803-V825 WeakPolarHBondContact O-CA 3.43Å; H803-V825 WeakPolarHBondContact O-CG1 3.44Å; L804-V825 HydrophobicContact CD2-CG1 4.43Å; L804-V825 HydrophobicContact CD2-CG2 3.64Å; V825-V827 HydrophobicContact CG1-CG2 4.2Å; V825-M892 CarbonylContact O-C 3.59Å; V825-M892 WeakPolarHBondContact O-CA 3.07Å; V825-L893 HydrophobicContact CB-CB 4.3Å; V825-L893 PolarHBondContact N-O 2.84Å; V825-L893 PolarHBondContact O-N 3.35Å; V825-F895 HydrophobicContact CB-CE2 4.42Å; V825-F895 HydrophobicContact CG2-CD2 4.02Å; V825-F895 HydrophobicContact CG2-CE2 3.84Å; V825-M908 HydrophobicContact CG2-CE 3.79Å; V825-M908 HydrophobicContact CG2-SD 3.86Å; V825-L930 HydrophobicContact CG1-CD1 3.84Å |
| 826 | E | 90.8 | Very high | 84.5 | Confident | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131.5 | 177.5 | -170.4 | 161.9 | -130 | 0 | 0 | 110.1 | A802 H803 K857 | A802-E826 CarbonylContact C-O 3.48Å; A802-E826 WeakPolarHBondContact CA-O 3.45Å; H803-E826 PolarHBondContact N-O 3.26Å; H803-E826 PolarHBondContact O-N 3.45Å; E826-K857 IonicContact OE1-NZ 2.8Å; E826-K857 PolarHBondContact OE1-NZ 3.37Å |
| 827 | V | 92.2 | Very high | 84.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141.3 | -171.3 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | L800 Q801 A802 V825 L841 N890 F891 L893 L910 | L800-V827 HydrophobicContact CD1-CG1 3.68Å; Q801-V827 CarbonylContact O-C 3.54Å; Q801-V827 WeakPolarHBondContact O-CA 3.42Å; A802-V827 HydrophobicContact CB-CG2 4.09Å; V825-V827 HydrophobicContact CG1-CG2 4.2Å; V827-L841 HydrophobicContact CG1-CD2 4.01Å; V827-N890 WeakPolarHBondContact O-CA 3.36Å; V827-F891 HydrophobicContact CB-CD2 4.1Å; V827-F891 HydrophobicContact CB-CE2 3.76Å; V827-F891 HydrophobicContact CB-CZ 4.03Å; V827-F891 HydrophobicContact CG1-CE1 4.27Å; V827-F891 HydrophobicContact CG1-CE2 3.9Å; V827-F891 HydrophobicContact CG1-CZ 3.7Å; V827-F891 HydrophobicContact CG2-CE2 4.25Å; V827-F891 PolarHBondContact N-O 3.02Å; V827-F891 PolarHBondContact O-N 2.82Å; V827-F891 VanDerWaalsContact O-O 3.12Å; V827-L893 HydrophobicContact CG2-CD1 3.67Å; V827-L893 HydrophobicContact CG2-CG 4.07Å; V827-L910 HydrophobicContact CG1-CD2 4.36Å; V827-L910 HydrophobicContact CG2-CD2 3.68Å |
| 828 | Q | 91.8 | Very high | 84.6 | Confident | 47 Ų | 47 | 54.4 Ų | 54.4 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.2 | 174.2 | 170.6 | 169.9 | 110.6 | 0 | 0 | 110.4 | L800 Q801 K888 V889 N890 | L800-Q828 WeakPolarHBondContact CA-O 3.42Å; Q801-Q828 HydrophobicContact CB-CB 4.37Å; Q801-Q828 PolarHBondContact N-O 2.75Å; Q801-Q828 PolarHBondContact O-N 3.3Å; Q828-K888 VanDerWaalsContact CD-NZ 3.35Å; Q828-V889 WeakPolarHBondContact CA-O 3.29Å; Q828-N890 VanDerWaalsContact CB-OD1 3.3Å; Q828-N890 WeakPolarHBondContact CB-OD1 3Å; Q828-N890 WeakPolarHBondContact CG-OD1 3.31Å; Q828-N890 PolarHBondContact NE2-OD1 2.99Å |
| 829 | L | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.2 | 178.5 | -178.7 | 64.2 | 0 | 0 | 0 | 111.4 | V799 L800 T839 V878 F883 K888 V889 A912 | V799-L829 WeakPolarHBondContact O-CA 3.33Å; V799-L829 WeakPolarHBondContact O-CD1 3.48Å; L800-L829 HydrophobicContact CB-CD1 4.33Å; L800-L829 HydrophobicContact CD1-CB 4.4Å; L800-L829 HydrophobicContact CD1-CD1 4.24Å; L829-T839 HydrophobicContact CD2-CG2 4.15Å; L829-V878 HydrophobicContact CD2-CB 4.2Å; L829-V878 HydrophobicContact CD2-CG1 4.15Å; L829-V878 HydrophobicContact CD2-CG2 3.83Å; L829-F883 HydrophobicContact CD2-CE1 4.43Å; L829-F883 HydrophobicContact CG-CE1 4.21Å; L829-F883 HydrophobicContact CG-CZ 4.49Å; L829-K888 CarbonylContact O-C 3.58Å; L829-K888 WeakPolarHBondContact O-CA 3.32Å; L829-V889 HydrophobicContact CB-CG1 4.14Å; L829-V889 PolarHBondContact N-O 3.21Å; L829-V889 PolarHBondContact O-N 3.05Å; L829-A912 HydrophobicContact CD1-CB 3.6Å; L829-A912 HydrophobicContact CD2-CB 4.48Å |
| 830 | E | 93.1 | Very high | 86.8 | Confident | 46 Ų | 46 | 48 Ų | 48 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.5 | -176.1 | -172.8 | 177.5 | 137 | 0 | 0 | 110.9 | L798 V799 R832 S887 K888 | L798-E830 CarbonylContact C-O 3.52Å; L798-E830 WeakPolarHBondContact CA-O 3.4Å; V799-E830 HydrophobicContact CB-CB 4.43Å; V799-E830 PolarHBondContact N-O 2.6Å; V799-E830 PolarHBondContact O-N 3.19Å; E830-R832 HydrophobicContact CG-CG 4.27Å; E830-R832 IonicContact OE1-NE 3.2Å; E830-R832 PolarHBondContact OE1-NE 3.49Å; E830-S887 CarbonylContact C-O 3.57Å; E830-S887 WeakPolarHBondContact CA-O 3.39Å; E830-K888 HydrophobicContact CB-CB 4.4Å; E830-K888 HydrophobicContact CB-CG 4.17Å; E830-K888 HydrophobicContact CG-CB 4.16Å; E830-K888 HydrophobicContact CG-CD 4.39Å; E830-K888 HydrophobicContact CG-CG 4.27Å; E830-K888 WeakPolarHBondContact OE2-CD 3.16Å; E830-K888 IonicContact OE2-NZ 3.6Å; E830-K888 PolarHBondContact OE2-NZ 3.44Å |
| 831 | N | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | 168.5 | 176.1 | 13 | 0 | 0 | 0 | 109.3 | D797 L798 L833 E834 F883 R884 H886 S887 | D797-N831 CarbonylContact O-C 3.39Å; D797-N831 VanDerWaalsContact O-CA 3.29Å; D797-N831 WeakPolarHBondContact O-CA 3.19Å; D797-N831 PolarHBondContact O-OD1 3.13Å; L798-N831 HydrophobicContact CD2-CB 3.84Å; N831-L833 PolarHBondContact OD1-N 3.22Å; N831-E834 PolarHBondContact ND2-O 3.47Å; N831-F883 HydrophobicContact CB-CD1 3.49Å; N831-F883 VanDerWaalsContact CB-CD1 3.49Å; N831-F883 HydrophobicContact CB-CE1 3.34Å; N831-F883 HydrophobicContact CB-CG 4.38Å; N831-F883 HydrophobicContact CB-CZ 4.13Å; N831-F883 PolarHBondContact ND2-O 3.35Å; N831-R884 PolarHBondContact ND2-O 3.23Å; N831-H886 CarbonylContact O-C 3.49Å; N831-H886 WeakPolarHBondContact O-CA 3.5Å; N831-H886 PolarHBondContact O-N 3.46Å; N831-S887 PolarHBondContact N-O 2.98Å; N831-S887 PolarHBondContact O-N 3.3Å |
| 832 | R | 90.9 | Very high | 88.6 | Confident | 102 Ų | 102 | 40 Ų | 40 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | trans | -107.3 | -11.5 | -172 | -69.5 | -180 | 173.1 | 162.6 | 5.3 | 115.4 | D797 V799 E830 H886 | D797-R832 HydrophobicContact CB-CB 4.07Å; D797-R832 PolarHBondContact O-N 3.12Å; D797-R832 WeakPolarHBondContact OD2-CB 3.45Å; D797-R832 WeakPolarHBondContact OD2-CD 3.36Å; V799-R832 HydrophobicContact CG2-CG 4.46Å; E830-R832 HydrophobicContact CG-CG 4.27Å; E830-R832 IonicContact OE1-NE 3.2Å; E830-R832 PolarHBondContact OE1-NE 3.49Å; R832-H886 PolarHBondContact O-CE1 3.46Å; R832-H886 PolarHBondContact O-ND1 3.4Å | ||
| 833 | L | 88.8 | Confident | 89 | Confident | 69 Ų | 69 | 32 Ų | 32 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -122.4 | -132.9 | -179 | -69.5 | -179.9 | 0 | 0 | 0 | 111.8 | D797 N831 S885 | D797-L833 HydrophobicContact CB-CB 4.02Å; D797-L833 HydrophobicContact CB-CD1 3.7Å; D797-L833 HydrophobicContact CB-CG 3.63Å; N831-L833 PolarHBondContact OD1-N 3.22Å; L833-S885 WeakPolarHBondContact O-CA 3.38Å; L833-S885 WeakPolarHBondContact O-CB 3.35Å; L833-S885 PolarHBondContact O-OG 3.47Å |
| 834 | E | 87.8 | Confident | 89.2 | Confident | 92 Ų | 92 | 36.1 Ų | 36.1 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -75.5 | -174.4 | -173.7 | -54.5 | -178.9 | 154.3 | 0 | 0 | 113 | T795 N831 A836 | T795-E834 PolarHBondContact N-OE2 3.17Å; T795-E834 WeakPolarHBondContact O-CB 3.42Å; T795-E834 WeakPolarHBondContact O-CG 3.47Å; T795-E834 PolarHBondContact O-N 3.43Å; T795-E834 VanDerWaalsContact O-N 3.15Å; N831-E834 PolarHBondContact ND2-O 3.47Å; E834-A836 PolarHBondContact O-N 3.38Å |
| 835 | N | 84.4 | Confident | 89.4 | Confident | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | trans | -64.7 | 125.3 | -179 | -75.5 | -24.8 | 0 | 0 | 0 | 111.9 | T796 Y837 V882 S885 S916 | T796-N835 VanDerWaalsContact CG2-O 3.3Å; T796-N835 WeakPolarHBondContact CG2-O 3.25Å; N835-Y837 HydrophobicContact CB-CD2 4.4Å; N835-Y837 HydrophobicContact CB-CE2 3.77Å; N835-V882 HydrophobicContact CB-CG1 3.82Å; N835-S885 PolarHBondContact OD1-N 3.29Å; N835-S916 PolarHBondContact O-OG 3.01Å | ||
| 836 | A | 83.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 111 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T796 L798 E834 T839 F883 | T796-A836 HydrophobicContact CG2-CB 3.44Å; T796-A836 VanDerWaalsContact CG2-CB 3.44Å; L798-A836 HydrophobicContact CD2-CB 4.31Å; E834-A836 PolarHBondContact O-N 3.38Å; A836-T839 WeakPolarHBondContact CB-OG1 3.31Å; A836-T839 PolarHBondContact O-OG1 2.75Å; A836-F883 HydrophobicContact CB-CB 4.25Å; A836-F883 PolarHBondContact N-O 3.49Å; A836-F883 PolarHBondContact O-N 3.44Å |
| 837 | Y | 81.3 | Confident | 89.3 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.6 | 178.3 | -73.1 | -93 | 0 | 0 | 0 | 109.7 | K786 D787 C794 N835 T839 P881 V882 D915 S916 | K786-Y837 HydrophobicContact CB-CE1 4.49Å; K786-Y837 HydrophobicContact CD-CD1 4.31Å; K786-Y837 HydrophobicContact CD-CG 4.17Å; K786-Y837 HydrophobicContact CG-CD1 4.3Å; D787-Y837 WeakPolarHBondContact CB-OH 3.35Å; D787-Y837 WeakPolarHBondContact O-CE2 3.35Å; D787-Y837 PolarHBondContact O-OH 3.34Å; C794-Y837 HydrophobicContact CB-CD2 4.42Å; C794-Y837 VanDerWaalsContact SG-CD2 3.59Å; C794-Y837 WeakPolarHBondContact SG-CE2 3.36Å; N835-Y837 HydrophobicContact CB-CD2 4.4Å; N835-Y837 HydrophobicContact CB-CE2 3.77Å; Y837-T839 VanDerWaalsContact C-N 3.26Å; Y837-T839 PolarHBondContact O-N 2.93Å; Y837-P881 WeakPolarHBondContact CA-O 3.03Å; Y837-V882 HydrophobicContact CD1-CG2 3.71Å; Y837-V882 HydrophobicContact CE1-CG2 3.34Å; Y837-D915 PolarHBondContact O-N 3.39Å; Y837-S916 PolarHBondContact N-OG 3.3Å |
| 838 | N | 79 | Confident | 89.1 | Confident | 20 Ų | 20 | 39.7 Ų | 39.7 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.9 | -179.3 | -60.1 | -25.5 | 0 | 0 | 0 | 113.9 | I750 S840 Y880 P881 D915 | I750-N838 HydrophobicContact CD1-CB 4.39Å; I750-N838 VanDerWaalsContact CG1-ND2 3.34Å; I750-N838 WeakPolarHBondContact CG1-ND2 3.28Å; N838-S840 PolarHBondContact O-N 3.13Å; N838-S840 VanDerWaalsContact O-N 3.09Å; N838-Y880 WeakPolarHBondContact OD1-CE2 3.19Å; N838-P881 PolarHBondContact N-O 3.02Å; N838-D915 PolarHBondContact ND2-OD2 2.92Å |
| 839 | T | 88.3 | Confident | 88.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -53.7 | 122.3 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | L798 L829 A836 Y837 N877 V878 F883 T913 | L798-T839 HydrophobicContact CD1-CG2 4.03Å; L798-T839 HydrophobicContact CD2-CG2 4.13Å; L829-T839 HydrophobicContact CD2-CG2 4.15Å; A836-T839 WeakPolarHBondContact CB-OG1 3.31Å; A836-T839 PolarHBondContact O-OG1 2.75Å; Y837-T839 VanDerWaalsContact C-N 3.26Å; Y837-T839 PolarHBondContact O-N 2.93Å; T839-N877 WeakPolarHBondContact O-CA 3.19Å; T839-V878 HydrophobicContact CG2-CB 4.25Å; T839-V878 PolarHBondContact O-N 2.93Å; T839-F883 HydrophobicContact CG2-CB 4.3Å; T839-F883 HydrophobicContact CG2-CD1 3.86Å; T839-F883 HydrophobicContact CG2-CG 4.36Å; T839-F883 WeakPolarHBondContact OG1-CB 3.49Å; T839-T913 CarbonylContact C-O 3.48Å; T839-T913 WeakPolarHBondContact CA-O 3.33Å | ||
| 840 | S | 89.5 | Confident | 88.7 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.1 | -177.5 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | N838 S875 C876 A912 T913 | N838-S840 PolarHBondContact O-N 3.13Å; N838-S840 VanDerWaalsContact O-N 3.09Å; S840-S875 WeakPolarHBondContact CB-OG 3.25Å; S840-C876 CarbonylContact C-O 3.44Å; S840-C876 WeakPolarHBondContact CA-O 3.38Å; S840-A912 CarbonylContact O-C 3.47Å; S840-A912 WeakPolarHBondContact O-CA 3.46Å; S840-T913 PolarHBondContact N-O 3.15Å; S840-T913 PolarHBondContact O-N 3.29Å; S840-T913 PolarHBondContact O-OG1 2.79Å; S840-T913 PolarHBondContact OG-OG1 2.79Å |
| 841 | L | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.7 | 169.6 | 179.5 | 65.9 | 0 | 0 | 0 | 108.5 | L800 V827 L843 S875 C876 V878 F891 L910 A912 | L800-L841 HydrophobicContact CD1-CD1 3.7Å; L800-L841 HydrophobicContact CD2-CD1 3.64Å; L800-L841 HydrophobicContact CG-CD1 4.35Å; V827-L841 HydrophobicContact CG1-CD2 4.01Å; L841-L843 HydrophobicContact CD2-CD2 3.82Å; L841-L843 HydrophobicContact CG-CD2 3.82Å; L841-S875 WeakPolarHBondContact O-CA 3.06Å; L841-C876 HydrophobicContact CB-CB 4.28Å; L841-C876 PolarHBondContact N-O 3.05Å; L841-C876 PolarHBondContact O-N 3.3Å; L841-V878 HydrophobicContact CB-CG2 4.41Å; L841-F891 HydrophobicContact CD2-CE2 3.89Å; L841-F891 HydrophobicContact CD2-CZ 3.55Å; L841-L910 HydrophobicContact CD1-CB 4.25Å; L841-L910 HydrophobicContact CD2-CD2 4.42Å; L841-A912 HydrophobicContact CD1-CB 4.4Å |
| 842 | K | 91.6 | Very high | 88.2 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.3 | 173.8 | -65.9 | 178.9 | -174.8 | 168.6 | 0 | 109.3 | L869 H874 L910 S911 | K842-L869 HydrophobicContact CG-CD1 4.32Å; K842-H874 CarbonylContact C-O 3.49Å; K842-H874 WeakPolarHBondContact CA-O 3.45Å; K842-L910 CarbonylContact O-C 3.58Å; K842-L910 WeakPolarHBondContact O-CA 3.28Å; K842-S911 PolarHBondContact N-O 3.27Å; K842-S911 PolarHBondContact O-N 3.45Å |
| 843 | L | 92.4 | Very high | 88 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.5 | 174.5 | -50.7 | 176.4 | 0 | 0 | 0 | 107.2 | L841 Y845 F851 S873 H874 L893 L910 | L841-L843 HydrophobicContact CD2-CD2 3.82Å; L841-L843 HydrophobicContact CG-CD2 3.82Å; L843-Y845 HydrophobicContact CB-CD1 4.29Å; L843-Y845 HydrophobicContact CB-CE1 4.49Å; L843-F851 HydrophobicContact CD1-CD2 4.4Å; L843-F851 HydrophobicContact CD1-CE2 4.28Å; L843-S873 CarbonylContact O-C 3.57Å; L843-S873 WeakPolarHBondContact O-CA 3.44Å; L843-S873 VanDerWaalsContact O-CB 3.26Å; L843-S873 WeakPolarHBondContact O-CB 3.43Å; L843-H874 HydrophobicContact CB-CB 4.3Å; L843-H874 HydrophobicContact CD1-CB 4.05Å; L843-H874 HydrophobicContact CG-CB 4.47Å; L843-H874 PolarHBondContact N-O 3.16Å; L843-H874 PolarHBondContact O-N 3.23Å; L843-L893 HydrophobicContact CD1-CD1 3.79Å; L843-L893 HydrophobicContact CD1-CD2 4.19Å; L843-L893 HydrophobicContact CD2-CD1 3.61Å; L843-L893 HydrophobicContact CG-CD1 4.38Å; L843-L910 HydrophobicContact CD2-CB 4.28Å; L843-L910 HydrophobicContact CD2-CD2 3.55Å; L843-L910 HydrophobicContact CD2-CG 3.56Å |
| 844 | H | 91.9 | Very high | 87.8 | Confident | 89 Ų | 89 | 40.6 Ų | 40.6 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.9 | 167.7 | -69.3 | -81.1 | 0 | 0 | 0 | 108 | M908 K909 | H844-M908 CarbonylContact O-C 3.49Å; H844-M908 VanDerWaalsContact O-CA 3.27Å; H844-M908 WeakPolarHBondContact O-CA 3.17Å; H844-K909 HydrophobicContact CB-CB 4.38Å; H844-K909 PolarHBondContact N-O 2.88Å; H844-K909 PolarHBondContact O-N 2.02Å |
| 845 | Y | 92.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.2 | -176.3 | 51.5 | -96.2 | 0 | 0 | 0 | 111.4 | L843 L849 F851 N872 H874 F895 Q907 | L843-Y845 HydrophobicContact CB-CD1 4.29Å; L843-Y845 HydrophobicContact CB-CE1 4.49Å; Y845-L849 HydrophobicContact CD2-CB 3.92Å; Y845-L849 HydrophobicContact CE2-CB 4.47Å; Y845-L849 WeakPolarHBondContact CE2-O 3.27Å; Y845-F851 HydrophobicContact CE1-CB 4.41Å; Y845-N872 HydrophobicContact CE2-CB 4.47Å; Y845-N872 PolarHBondContact N-O 2.69Å; Y845-N872 WeakPolarHBondContact O-CB 3.47Å; Y845-N872 PolarHBondContact O-ND2 3.33Å; Y845-N872 VanDerWaalsContact O-ND2 3.11Å; Y845-H874 AromaticContact CE1-CD2 3.76Å; Y845-H874 AromaticContact CZ-CD2 3.76Å; Y845-H874 PolarHBondContact OH-CD2 2.72Å; Y845-H874 PolarHBondContact OH-NE2 3.12Å; Y845-F895 AromaticContact CD1-CE1 3.59Å; Y845-F895 HydrophobicContact CD1-CE1 3.59Å; Y845-F895 HydrophobicContact CD1-CZ 4.29Å; Y845-F895 HydrophobicContact CD2-CE1 4.41Å; Y845-F895 AromaticContact CE1-CE1 3.73Å; Y845-F895 HydrophobicContact CE1-CE1 3.73Å; Y845-F895 HydrophobicContact CG-CD1 4.5Å; Y845-F895 AromaticContact CG-CE1 3.95Å; Y845-F895 HydrophobicContact CG-CE1 3.95Å; Y845-Q907 CarbonylContact C-O 3.53Å; Y845-Q907 VanDerWaalsContact CA-O 3.3Å; Y845-Q907 WeakPolarHBondContact CA-O 3.5Å |
| 846 | S | 91.3 | Very high | 87.3 | Confident | 20 Ų | 20 | 38.6 Ų | 38.6 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | trans | -61.3 | 151.3 | -177.5 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | N848 L849 N872 V906 Q907 | S846-N848 WeakPolarHBondContact CB-OD1 3.44Å; S846-N848 PolarHBondContact O-N 3.48Å; S846-N848 PolarHBondContact OG-OD1 3.21Å; S846-L849 PolarHBondContact O-N 3.13Å; S846-N872 VanDerWaalsContact C-ND2 3.34Å; S846-N872 PolarHBondContact O-ND2 3.15Å; S846-N872 VanDerWaalsContact O-ND2 3.12Å; S846-V906 WeakPolarHBondContact OG-CA 3.26Å; S846-Q907 PolarHBondContact N-O 3.49Å; S846-Q907 PolarHBondContact OG-N 2.99Å; S846-Q907 PolarHBondContact OG-O 3.3Å | ||
| 847 | R | 87.5 | Confident | 86.3 | Confident | 158 Ų | 158 | 43.9 Ų | 43.9 | 60% | 0.596 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.8 | -174.2 | -56.1 | -167.8 | 175.7 | 171.2 | -0.3 | 115.5 | L849 N872 S901 | R847-L849 VanDerWaalsContact C-N 3.25Å; R847-L849 PolarHBondContact O-N 3.15Å; R847-N872 WeakPolarHBondContact CA-ND2 3.39Å; R847-N872 WeakPolarHBondContact CG-OD1 3.27Å; R847-N872 PolarHBondContact N-ND2 2.98Å; R847-S901 WeakPolarHBondContact O-CB 3.49Å |
| 848 | N | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.8 | 176.5 | 65 | -26.4 | 0 | 0 | 0 | 115.2 | S846 F897 S898 S901 H903 R905 Y936 | S846-N848 WeakPolarHBondContact CB-OD1 3.44Å; S846-N848 PolarHBondContact O-N 3.48Å; S846-N848 PolarHBondContact OG-OD1 3.21Å; N848-F897 CarbonylContact O-C 3.55Å; N848-F897 VanDerWaalsContact O-CA 3.29Å; N848-F897 WeakPolarHBondContact O-CA 3.36Å; N848-F897 WeakPolarHBondContact O-CD1 3.45Å; N848-S898 PolarHBondContact O-N 3.21Å; N848-S901 WeakPolarHBondContact CA-O 3.41Å; N848-S901 WeakPolarHBondContact CB-O 3.4Å; N848-S901 PolarHBondContact N-O 2.97Å; N848-H903 HydrophobicContact CB-CB 3.98Å; N848-H903 PolarHBondContact ND2-O 2.87Å; N848-H903 VanDerWaalsContact ND2-O 3.11Å; N848-R905 PolarHBondContact ND2-O 3.44Å; N848-Y936 WeakPolarHBondContact CB-OH 3.33Å; N848-Y936 PolarHBondContact ND2-OH 3.49Å; N848-Y936 VanDerWaalsContact ND2-OH 3.13Å |
| 849 | L | 88.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.9 | 175.4 | -63.3 | 173.8 | 0 | 0 | 0 | 111.3 | L823 Y845 S846 R847 F895 E896 F897 V906 M908 | L823-L849 HydrophobicContact CB-CD2 4.44Å; L823-L849 HydrophobicContact CD2-CD1 3.47Å; L823-L849 VanDerWaalsContact CD2-CD1 3.47Å; L823-L849 HydrophobicContact CD2-CD2 3.71Å; L823-L849 HydrophobicContact CD2-CG 4.25Å; Y845-L849 HydrophobicContact CD2-CB 3.92Å; Y845-L849 HydrophobicContact CE2-CB 4.47Å; Y845-L849 WeakPolarHBondContact CE2-O 3.27Å; S846-L849 PolarHBondContact O-N 3.13Å; R847-L849 VanDerWaalsContact C-N 3.25Å; R847-L849 PolarHBondContact O-N 3.15Å; L849-F895 HydrophobicContact CB-CD1 4.28Å; L849-F895 HydrophobicContact CD2-CB 4.34Å; L849-E896 CarbonylContact C-O 3.56Å; L849-E896 WeakPolarHBondContact CA-O 3.39Å; L849-F897 HydrophobicContact CD2-CD1 3.66Å; L849-F897 HydrophobicContact CD2-CD2 4.4Å; L849-F897 HydrophobicContact CD2-CE1 3.6Å; L849-F897 HydrophobicContact CD2-CE2 4.34Å; L849-F897 HydrophobicContact CD2-CG 4.09Å; L849-F897 HydrophobicContact CD2-CZ 3.95Å; L849-V906 HydrophobicContact CD1-CG1 3.63Å; L849-M908 HydrophobicContact CD1-CG 4.29Å; L849-M908 HydrophobicContact CD1-SD 4.01Å |
| 850 | H | 87.9 | Confident | 82.5 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.8 | 168.8 | -70.6 | -63 | 0 | 0 | 0 | 109 | S852 F895 E896 S898 | H850-S852 PolarHBondContact O-N 3.01Å; H850-F895 CarbonylContact O-C 3.54Å; H850-F895 WeakPolarHBondContact O-CA 3.3Å; H850-F895 WeakPolarHBondContact O-CB 3.36Å; H850-E896 PolarHBondContact N-O 3.47Å; H850-E896 PolarHBondContact O-N 3.37Å; H850-S898 WeakPolarHBondContact NE2-CB 3.26Å; H850-S898 PolarHBondContact NE2-OG 2.98Å |
| 851 | F | 88.9 | Confident | 81.3 | Confident | 36 Ų | 36 | 67 Ų | 67 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.6 | 174.2 | -178.4 | -104.7 | 0 | 0 | 0 | 110 | L843 Y845 S853 I854 C866 H874 L893 F895 | L843-F851 HydrophobicContact CD1-CD2 4.4Å; L843-F851 HydrophobicContact CD1-CE2 4.28Å; Y845-F851 HydrophobicContact CE1-CB 4.41Å; F851-S853 WeakPolarHBondContact CE2-O 3.49Å; F851-S853 WeakPolarHBondContact CZ-O 3.28Å; F851-I854 HydrophobicContact CZ-CB 4.24Å; F851-C866 HydrophobicContact CE1-CB 3.74Å; F851-C866 HydrophobicContact CZ-CB 4.07Å; F851-H874 AromaticContact CD1-CE1 3.57Å; F851-H874 AromaticContact CD1-ND1 3.46Å; F851-H874 WeakPolarHBondContact CD1-ND1 3.05Å; F851-H874 AromaticContact CG-CE1 3.97Å; F851-H874 AromaticContact CG-ND1 3.91Å; F851-L893 HydrophobicContact CE2-CB 4.11Å; F851-L893 HydrophobicContact CE2-CD2 3.68Å; F851-L893 HydrophobicContact CE2-CG 4.45Å; F851-L893 HydrophobicContact CZ-CD2 4.1Å; F851-F895 HydrophobicContact CB-CD1 4.21Å; F851-F895 HydrophobicContact CB-CE1 3.99Å; F851-F895 HydrophobicContact CD2-CD1 4.26Å; F851-F895 AromaticContact CD2-CE1 3.69Å; F851-F895 HydrophobicContact CD2-CE1 3.69Å; F851-F895 HydrophobicContact CD2-CE2 4.28Å; F851-F895 AromaticContact CD2-CZ 3.7Å; F851-F895 HydrophobicContact CD2-CZ 3.7Å; F851-F895 HydrophobicContact CE2-CZ 4.37Å; F851-F895 HydrophobicContact CG-CE1 4.34Å |
| 852 | S | 86.1 | Confident | 80.3 | Confident | 70 Ų | 70 | 69 Ų | 69 | 49% | 0.49 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -60.2 | -176.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | H850 E894 | H850-S852 PolarHBondContact O-N 3.01Å; S852-E894 WeakPolarHBondContact CA-O 3.46Å; S852-E894 WeakPolarHBondContact CB-O 2.92Å; S852-E894 PolarHBondContact N-O 3.12Å |
| 853 | S | 85.9 | Confident | 79.5 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 28% | 0.28 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 170.7 | -173 | 94.2 | 0 | 0 | 0 | 0 | 112.2 | F851 E894 | F851-S853 WeakPolarHBondContact CE2-O 3.49Å; F851-S853 WeakPolarHBondContact CZ-O 3.28Å; S853-E894 PolarHBondContact N-O 3.43Å; S853-E894 PolarHBondContact O-N 3.41Å; S853-E894 PolarHBondContact OG-OE2 2.88Å |
| 854 | I | 86.2 | Confident | 79.1 | Confident | 48 Ų | 48 | 72.4 Ų | 72.4 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.6 | 170.4 | -176.6 | 170.5 | 0 | 0 | 0 | 108.7 | F851 I864 F891 M892 L893 | F851-I854 HydrophobicContact CZ-CB 4.24Å; I854-I864 HydrophobicContact CD1-CB 3.9Å; I854-I864 HydrophobicContact CD1-CD1 4.13Å; I854-I864 HydrophobicContact CD1-CG2 3.47Å; I854-I864 VanDerWaalsContact CD1-CG2 3.47Å; I854-F891 HydrophobicContact CD1-CB 4.26Å; I854-F891 HydrophobicContact CD1-CD2 3.44Å; I854-F891 VanDerWaalsContact CD1-CD2 3.44Å; I854-F891 HydrophobicContact CD1-CE2 3.9Å; I854-F891 HydrophobicContact CD1-CG 3.94Å; I854-F891 HydrophobicContact CG1-CB 4.26Å; I854-F891 HydrophobicContact CG1-CD2 3.92Å; I854-F891 HydrophobicContact CG1-CG 4.39Å; I854-M892 CarbonylContact C-O 3.59Å; I854-M892 WeakPolarHBondContact CA-O 3.18Å; I854-L893 HydrophobicContact CB-CD2 4.28Å; I854-L893 HydrophobicContact CD1-CD2 3.94Å; I854-L893 HydrophobicContact CG1-CD2 4.02Å |
| 855 | S | 83.1 | Confident | 78.5 | Confident | 38 Ų | 38 | 73 Ų | 73 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.6 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | F891 M892 | S855-F891 CarbonylContact O-C 3.48Å; S855-F891 WeakPolarHBondContact O-CA 3.05Å; S855-F891 WeakPolarHBondContact O-CB 3.41Å; S855-M892 PolarHBondContact N-O 2.89Å; S855-M892 PolarHBondContact O-N 3.33Å; S855-M892 WeakPolarHBondContact OG-CE 3.47Å; S855-M892 PolarHBondContact OG-O 3.18Å |
| 856 | I | 77.9 | Confident | 78.1 | Confident | 67 Ų | 67 | 74 Ų | 74 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.5 | -177.6 | -59.5 | 170.9 | 0 | 0 | 0 | 107.7 | E858 I864 F891 | I856-E858 PolarHBondContact O-N 2.93Å; I856-I864 HydrophobicContact CD1-CD1 4.42Å; I856-I864 HydrophobicContact CD1-CG1 4.38Å; I856-F891 HydrophobicContact CG1-CB 4.17Å |
| 857 | K | 62.3 | Low | 77.7 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -82.4 | 109.2 | 172.5 | -73.8 | -179 | -174.8 | 167.9 | 0 | 108 | E826 | E826-K857 IonicContact OE1-NZ 2.8Å; E826-K857 PolarHBondContact OE1-NZ 3.37Å |
| 858 | E | 58.3 | Low | 77.4 | Confident | 185 Ų | 185 | 72.3 Ų | 72.3 | 86% | 0.864 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 84 | 6 | 156.3 | -59.7 | -175.3 | 155.3 | 0 | 0 | 122.1 | I856 | I856-E858 PolarHBondContact O-N 2.93Š|
| 859 | N | 55.1 | Low | 76.8 | Confident | 106 Ų | 106 | 77 Ų | 77 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | trans | -139.7 | 114.3 | 172.8 | -84.9 | -35.4 | 0 | 0 | 0 | 114.6 | N861 F862 | N859-N861 PolarHBondContact O-N 2.64Å; N859-F862 HydrophobicContact CB-CD2 4.32Å | ||
| 860 | A | 54.8 | Low | 76.4 | Confident | 105 Ų | 105 | 78.8 Ų | 78.8 | 87% | 0.868 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 861 | N | 64.4 | Low | 75.7 | Confident | 153 Ų | 153 | 78.8 Ų | 78.8 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.6 | -174 | -71.2 | -9.1 | 0 | 0 | 0 | 114.7 | N859 | N859-N861 PolarHBondContact O-N 2.64Š|
| 862 | F | 71 | Confident | 75.6 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 18% | 0.184 | 45% | 0.451 | C | S | . | . | trans | -109.9 | 128.3 | 178.8 | -68.7 | -90.7 | 0 | 0 | 0 | 110.3 | N859 S879 F883 K888 V889 | N859-F862 HydrophobicContact CB-CD2 4.32Å; F862-S879 WeakPolarHBondContact CD1-OG 3.44Å; F862-F883 HydrophobicContact CD1-CE2 4.45Å; F862-F883 HydrophobicContact CE1-CD2 4.43Å; F862-F883 AromaticContact CE1-CE2 3.93Å; F862-F883 HydrophobicContact CE1-CE2 3.93Å; F862-K888 WeakPolarHBondContact CZ-O 3.36Å; F862-V889 HydrophobicContact CB-CG2 3.77Å; F862-V889 HydrophobicContact CD1-CB 3.95Å; F862-V889 HydrophobicContact CD1-CG2 4.06Å; F862-V889 HydrophobicContact CD2-CB 4.45Å; F862-V889 HydrophobicContact CD2-CG2 4.16Å; F862-V889 HydrophobicContact CE1-CB 4.31Å; F862-V889 HydrophobicContact CG-CB 4.07Å; F862-V889 HydrophobicContact CG-CG2 3.73Å | ||
| 863 | K | 75.3 | Confident | 75.7 | Confident | 133 Ų | 133 | 75.9 Ų | 75.9 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | trans | -106.1 | 119.5 | 174.8 | -161.5 | -172.5 | -164.4 | -158.6 | 0 | 108.9 | E865 S879 | K863-E865 WeakPolarHBondContact CE-OE1 3.29Å; K863-E865 IonicContact NZ-OE1 3.77Å; K863-E865 PolarHBondContact NZ-OE1 3.05Å; K863-S879 PolarHBondContact O-N 3.42Å | ||
| 864 | I | 83 | Confident | 75.9 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.087 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.3 | 176.1 | -53.9 | 176.9 | 0 | 0 | 0 | 108.9 | I854 I856 C876 N877 V878 V889 F891 | I854-I864 HydrophobicContact CD1-CB 3.9Å; I854-I864 HydrophobicContact CD1-CD1 4.13Å; I854-I864 HydrophobicContact CD1-CG2 3.47Å; I854-I864 VanDerWaalsContact CD1-CG2 3.47Å; I856-I864 HydrophobicContact CD1-CD1 4.42Å; I856-I864 HydrophobicContact CD1-CG1 4.38Å; I864-C876 HydrophobicContact CG2-CB 3.95Å; I864-N877 VanDerWaalsContact CA-O 3.29Å; I864-N877 WeakPolarHBondContact CA-O 3.25Å; I864-V878 HydrophobicContact CG1-CG1 4.48Å; I864-V889 HydrophobicContact CD1-CG2 4.12Å; I864-F891 HydrophobicContact CD1-CB 4.31Å; I864-F891 HydrophobicContact CD1-CD1 3.3Å; I864-F891 HydrophobicContact CD1-CD2 4.43Å; I864-F891 HydrophobicContact CD1-CE1 3.54Å; I864-F891 HydrophobicContact CD1-CG 3.77Å; I864-F891 HydrophobicContact CD1-CZ 4.19Å |
| 865 | E | 80.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.4 | 178.1 | -72.4 | -177.1 | -174.2 | 0 | 0 | 109.9 | K863 C876 N877 | K863-E865 WeakPolarHBondContact CE-OE1 3.29Å; K863-E865 IonicContact NZ-OE1 3.77Å; K863-E865 PolarHBondContact NZ-OE1 3.05Å; E865-C876 CarbonylContact O-C 3.52Å; E865-C876 WeakPolarHBondContact O-CA 3.43Å; E865-N877 PolarHBondContact N-O 3.32Å; E865-N877 VanDerWaalsContact N-O 3.17Å; E865-N877 PolarHBondContact O-N 3.11Å |
| 866 | C | 84.4 | Confident | 76.3 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.9 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | F851 S875 C876 | F851-C866 HydrophobicContact CE1-CB 3.74Å; F851-C866 HydrophobicContact CZ-CB 4.07Å; C866-S875 WeakPolarHBondContact CA-O 3.26Å; C866-C876 HydrophobicContact CB-CB 4.08Å; C866-C876 WeakPolarHBondContact CB-SG 3.46Å; C866-C876 WeakPolarHBondContact SG-CB 3.39Å; C866-C876 CovalentContact SG-SG 2.04Å; C866-C876 PolarHBondContact SG-SG 2.83Å |
| 867 | T | 82.5 | Confident | 76.7 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.4 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | L869 H874 S875 | T867-L869 PolarHBondContact O-N 2.69Å; T867-H874 CarbonylContact O-C 3.55Å; T867-H874 VanDerWaalsContact O-CA 3.31Å; T867-H874 WeakPolarHBondContact O-CA 3.38Å; T867-S875 PolarHBondContact N-O 3.47Å; T867-S875 PolarHBondContact O-N 3.22Å; T867-S875 PolarHBondContact OG1-O 3.46Å; T867-S875 VanDerWaalsContact OG1-O 3.08Å |
| 868 | A | 80.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 123.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 869 | L | 76.8 | Confident | 78.7 | Confident | 99 Ų | 99 | 57 Ų | 57 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -21.7 | 172.6 | -71.3 | -179.4 | 0 | 0 | 0 | 112.2 | K842 T867 S873 | K842-L869 HydrophobicContact CG-CD1 4.32Å; T867-L869 PolarHBondContact O-N 2.69Å; L869-S873 WeakPolarHBondContact CB-OG 3.37Å; L869-S873 PolarHBondContact N-O 3.23Å |
| 870 | G | 79.8 | Confident | 79.5 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | -175 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N872 S873 | G870-N872 PolarHBondContact O-N 3.06Å; G870-N872 VanDerWaalsContact O-N 3.14Å; G870-S873 PolarHBondContact N-O 2.96Å; G870-S873 VanDerWaalsContact N-O 3.13Å; G870-S873 PolarHBondContact N-OG 3.37Å |
| 871 | S | 73.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25 | -179 | 65 | 0 | 0 | 0 | 0 | 113.5 | ||
| 872 | N | 87 | Confident | 80.6 | Confident | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 20.1 | -169.8 | -79.2 | 97.2 | 0 | 0 | 0 | 113.4 | Y845 S846 R847 G870 | Y845-N872 HydrophobicContact CE2-CB 4.47Å; Y845-N872 PolarHBondContact N-O 2.69Å; Y845-N872 WeakPolarHBondContact O-CB 3.47Å; Y845-N872 PolarHBondContact O-ND2 3.33Å; Y845-N872 VanDerWaalsContact O-ND2 3.11Å; S846-N872 VanDerWaalsContact C-ND2 3.34Å; S846-N872 PolarHBondContact O-ND2 3.15Å; S846-N872 VanDerWaalsContact O-ND2 3.12Å; R847-N872 WeakPolarHBondContact CA-ND2 3.39Å; R847-N872 WeakPolarHBondContact CG-OD1 3.27Å; R847-N872 PolarHBondContact N-ND2 2.98Å; G870-N872 PolarHBondContact O-N 3.06Å; G870-N872 VanDerWaalsContact O-N 3.14Å |
| 873 | S | 88.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 135.3 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | L843 L869 G870 | L843-S873 CarbonylContact O-C 3.57Å; L843-S873 WeakPolarHBondContact O-CA 3.44Å; L843-S873 VanDerWaalsContact O-CB 3.26Å; L843-S873 WeakPolarHBondContact O-CB 3.43Å; L869-S873 WeakPolarHBondContact CB-OG 3.37Å; L869-S873 PolarHBondContact N-O 3.23Å; G870-S873 PolarHBondContact N-O 2.96Å; G870-S873 VanDerWaalsContact N-O 3.13Å; G870-S873 PolarHBondContact N-OG 3.37Å |
| 874 | H | 89.6 | Confident | 81.8 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.5 | 174.8 | -79.5 | -116.1 | 0 | 0 | 0 | 109.2 | K842 L843 Y845 F851 T867 | K842-H874 CarbonylContact C-O 3.49Å; K842-H874 WeakPolarHBondContact CA-O 3.45Å; L843-H874 HydrophobicContact CB-CB 4.3Å; L843-H874 HydrophobicContact CD1-CB 4.05Å; L843-H874 HydrophobicContact CG-CB 4.47Å; L843-H874 PolarHBondContact N-O 3.16Å; L843-H874 PolarHBondContact O-N 3.23Å; Y845-H874 AromaticContact CE1-CD2 3.76Å; Y845-H874 AromaticContact CZ-CD2 3.76Å; Y845-H874 PolarHBondContact OH-CD2 2.72Å; Y845-H874 PolarHBondContact OH-NE2 3.12Å; F851-H874 AromaticContact CD1-CE1 3.57Å; F851-H874 AromaticContact CD1-ND1 3.46Å; F851-H874 WeakPolarHBondContact CD1-ND1 3.05Å; F851-H874 AromaticContact CG-CE1 3.97Å; F851-H874 AromaticContact CG-ND1 3.91Å; T867-H874 CarbonylContact O-C 3.55Å; T867-H874 VanDerWaalsContact O-CA 3.31Å; T867-H874 WeakPolarHBondContact O-CA 3.38Å |
| 875 | S | 89.1 | Confident | 82 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.6 | 168 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | S840 L841 C866 T867 | S840-S875 WeakPolarHBondContact CB-OG 3.25Å; L841-S875 WeakPolarHBondContact O-CA 3.06Å; C866-S875 WeakPolarHBondContact CA-O 3.26Å; T867-S875 PolarHBondContact N-O 3.47Å; T867-S875 PolarHBondContact O-N 3.22Å; T867-S875 PolarHBondContact OG1-O 3.46Å; T867-S875 VanDerWaalsContact OG1-O 3.08Å |
| 876 | C | 88.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.8 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 109.8 | S840 L841 I864 E865 C866 V878 | S840-C876 CarbonylContact C-O 3.44Å; S840-C876 WeakPolarHBondContact CA-O 3.38Å; L841-C876 HydrophobicContact CB-CB 4.28Å; L841-C876 PolarHBondContact N-O 3.05Å; L841-C876 PolarHBondContact O-N 3.3Å; I864-C876 HydrophobicContact CG2-CB 3.95Å; E865-C876 CarbonylContact O-C 3.52Å; E865-C876 WeakPolarHBondContact O-CA 3.43Å; C866-C876 HydrophobicContact CB-CB 4.08Å; C866-C876 WeakPolarHBondContact CB-SG 3.46Å; C866-C876 WeakPolarHBondContact SG-CB 3.39Å; C866-C876 CovalentContact SG-SG 2.04Å; C866-C876 PolarHBondContact SG-SG 2.83Å; C876-V878 PolarHBondContact O-N 3.09Å |
| 877 | N | 86.9 | Confident | 82.4 | Confident | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.2 | 174.1 | -67 | -9.4 | 0 | 0 | 0 | 108.5 | T839 I864 E865 | T839-N877 WeakPolarHBondContact O-CA 3.19Å; I864-N877 VanDerWaalsContact CA-O 3.29Å; I864-N877 WeakPolarHBondContact CA-O 3.25Å; E865-N877 PolarHBondContact N-O 3.32Å; E865-N877 VanDerWaalsContact N-O 3.17Å; E865-N877 PolarHBondContact O-N 3.11Å |
| 878 | V | 86.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.7 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | L829 T839 L841 I864 C876 Y880 F883 V889 | L829-V878 HydrophobicContact CD2-CB 4.2Å; L829-V878 HydrophobicContact CD2-CG1 4.15Å; L829-V878 HydrophobicContact CD2-CG2 3.83Å; T839-V878 HydrophobicContact CG2-CB 4.25Å; T839-V878 PolarHBondContact O-N 2.93Å; L841-V878 HydrophobicContact CB-CG2 4.41Å; I864-V878 HydrophobicContact CG1-CG1 4.48Å; C876-V878 PolarHBondContact O-N 3.09Å; V878-Y880 PolarHBondContact O-N 3.1Å; V878-F883 HydrophobicContact CG1-CD2 4.22Å; V878-F883 HydrophobicContact CG1-CE2 4.22Å; V878-V889 HydrophobicContact CG1-CG1 3.87Å |
| 879 | S | 76.6 | Confident | 83.2 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 54.9 | 51.5 | 178.7 | -69.6 | 0 | 0 | 0 | 0 | 114.6 | F862 K863 V882 | F862-S879 WeakPolarHBondContact CD1-OG 3.44Å; K863-S879 PolarHBondContact O-N 3.42Å; S879-V882 CarbonylContact O-C 3.55Å; S879-V882 PolarHBondContact O-N 2.92Å |
| 880 | Y | 70.2 | Confident | 83.8 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 138.9 | 176.5 | -174.2 | -87.4 | 0 | 0 | 0 | 113.1 | A747 Y749 I750 N838 V878 | A747-Y880 VanDerWaalsContact C-CE1 3.5Å; A747-Y880 WeakPolarHBondContact O-CD1 3.38Å; A747-Y880 WeakPolarHBondContact O-CE1 3.47Å; Y749-Y880 WeakPolarHBondContact CA-OH 3.48Å; Y749-Y880 HydrophobicContact CD2-CE1 4.46Å; Y749-Y880 PolarHBondContact N-OH 3.37Å; I750-Y880 HydrophobicContact CD1-CD2 4.37Å; I750-Y880 HydrophobicContact CD1-CE2 3.41Å; I750-Y880 VanDerWaalsContact CD1-CE2 3.41Å; I750-Y880 HydrophobicContact CG1-CE2 3.82Å; I750-Y880 WeakPolarHBondContact CG1-OH 3.37Å; I750-Y880 PolarHBondContact N-OH 3.02Å; N838-Y880 WeakPolarHBondContact OD1-CE2 3.19Å; V878-Y880 PolarHBondContact O-N 3.1Å |
| 881 | P | 62.8 | Low | 84.3 | Confident | 38 Ų | 38 | 43.7 Ų | 43.7 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.8 | -7.6 | -2.3 | 33.5 | -35.1 | 0 | 0 | 0 | 114.8 | Y749 Y837 N838 | Y749-P881 HydrophobicContact CD2-CB 4.16Å; Y749-P881 HydrophobicContact CD2-CG 3.87Å; Y749-P881 HydrophobicContact CE2-CG 4.15Å; Y837-P881 WeakPolarHBondContact CA-O 3.03Å; N838-P881 PolarHBondContact N-O 3.02Å |
| 882 | V | 81.1 | Confident | 85 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 21% | 0.212 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 112.1 | -172 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | N835 Y837 S879 R884 | N835-V882 HydrophobicContact CB-CG1 3.82Å; Y837-V882 HydrophobicContact CD1-CG2 3.71Å; Y837-V882 HydrophobicContact CE1-CG2 3.34Å; S879-V882 CarbonylContact O-C 3.55Å; S879-V882 PolarHBondContact O-N 2.92Å; V882-R884 HydrophobicContact CG1-CG 4.27Å; V882-R884 PolarHBondContact O-N 3.46Å |
| 883 | F | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 102.6 | 164.3 | -172.7 | -137.3 | 0 | 0 | 0 | 108.3 | L798 L829 N831 A836 T839 F862 V878 S887 | L798-F883 HydrophobicContact CD2-CD1 3.8Å; L798-F883 HydrophobicContact CD2-CE1 3.92Å; L829-F883 HydrophobicContact CD2-CE1 4.43Å; L829-F883 HydrophobicContact CG-CE1 4.21Å; L829-F883 HydrophobicContact CG-CZ 4.49Å; N831-F883 HydrophobicContact CB-CD1 3.49Å; N831-F883 VanDerWaalsContact CB-CD1 3.49Å; N831-F883 HydrophobicContact CB-CE1 3.34Å; N831-F883 HydrophobicContact CB-CG 4.38Å; N831-F883 HydrophobicContact CB-CZ 4.13Å; N831-F883 PolarHBondContact ND2-O 3.35Å; A836-F883 HydrophobicContact CB-CB 4.25Å; A836-F883 PolarHBondContact N-O 3.49Å; A836-F883 PolarHBondContact O-N 3.44Å; T839-F883 HydrophobicContact CG2-CB 4.3Å; T839-F883 HydrophobicContact CG2-CD1 3.86Å; T839-F883 HydrophobicContact CG2-CG 4.36Å; T839-F883 WeakPolarHBondContact OG1-CB 3.49Å; F862-F883 HydrophobicContact CD1-CE2 4.45Å; F862-F883 HydrophobicContact CE1-CD2 4.43Å; F862-F883 AromaticContact CE1-CE2 3.93Å; F862-F883 HydrophobicContact CE1-CE2 3.93Å; V878-F883 HydrophobicContact CG1-CD2 4.22Å; V878-F883 HydrophobicContact CG1-CE2 4.22Å; F883-S887 VanDerWaalsContact CD2-OG 3.25Å; F883-S887 WeakPolarHBondContact CD2-OG 3.15Å; F883-S887 WeakPolarHBondContact CE2-OG 3.31Å; F883-S887 WeakPolarHBondContact CZ-O 2.72Å |
| 884 | R | 84.4 | Confident | 85.3 | Confident | 187 Ų | 187 | 41.8 Ų | 41.8 | 71% | 0.706 | 20% | 0.204 | S | C | * | . | trans | -60.7 | 149.9 | -168 | -65.5 | -176.8 | -177.9 | 178.5 | -0.3 | 111.8 | N831 V882 H886 S887 | N831-R884 PolarHBondContact ND2-O 3.23Å; V882-R884 HydrophobicContact CG1-CG 4.27Å; V882-R884 PolarHBondContact O-N 3.46Å; R884-H886 PolarHBondContact O-N 2.62Å; R884-S887 WeakPolarHBondContact O-CB 3.09Å; R884-S887 PolarHBondContact O-N 2.92Å; R884-S887 PolarHBondContact O-OG 3.01Å | ||
| 885 | S | 86.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | 134.3 | 167.1 | 176.8 | 0 | 0 | 0 | 0 | 112 | L833 N835 S887 | L833-S885 WeakPolarHBondContact O-CA 3.38Å; L833-S885 WeakPolarHBondContact O-CB 3.35Å; L833-S885 PolarHBondContact O-OG 3.47Å; N835-S885 PolarHBondContact OD1-N 3.29Å; S885-S887 VanDerWaalsContact C-N 3.33Å; S885-S887 PolarHBondContact O-N 3.4Å |
| 886 | H | 86.3 | Confident | 85.3 | Confident | 143 Ų | 143 | 43.3 Ų | 43.3 | 66% | 0.662 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 27.1 | 177.1 | -52.7 | -63.6 | 0 | 0 | 0 | 116.4 | N831 R832 R884 | N831-H886 CarbonylContact O-C 3.49Å; N831-H886 WeakPolarHBondContact O-CA 3.5Å; N831-H886 PolarHBondContact O-N 3.46Å; R832-H886 PolarHBondContact O-CE1 3.46Å; R832-H886 PolarHBondContact O-ND1 3.4Å; R884-H886 PolarHBondContact O-N 2.62Å |
| 887 | S | 88.2 | Confident | 85.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 13% | 0.133 | 21% | 0.211 | C | C | . | . | trans | -103.1 | 151.6 | -179 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | E830 N831 F883 R884 S885 | E830-S887 CarbonylContact C-O 3.57Å; E830-S887 WeakPolarHBondContact CA-O 3.39Å; N831-S887 PolarHBondContact N-O 2.98Å; N831-S887 PolarHBondContact O-N 3.3Å; F883-S887 VanDerWaalsContact CD2-OG 3.25Å; F883-S887 WeakPolarHBondContact CD2-OG 3.15Å; F883-S887 WeakPolarHBondContact CE2-OG 3.31Å; F883-S887 WeakPolarHBondContact CZ-O 2.72Å; R884-S887 WeakPolarHBondContact O-CB 3.09Å; R884-S887 PolarHBondContact O-N 2.92Å; R884-S887 PolarHBondContact O-OG 3.01Å; S885-S887 VanDerWaalsContact C-N 3.33Å; S885-S887 PolarHBondContact O-N 3.4Å | ||
| 888 | K | 89.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 41.8 Ų | 41.8 | 37% | 0.365 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140.8 | -174.4 | -174.9 | 174.2 | -172.9 | 136.7 | 0 | 112.7 | Q828 L829 E830 F862 | Q828-K888 VanDerWaalsContact CD-NZ 3.35Å; L829-K888 CarbonylContact O-C 3.58Å; L829-K888 WeakPolarHBondContact O-CA 3.32Å; E830-K888 HydrophobicContact CB-CB 4.4Å; E830-K888 HydrophobicContact CB-CG 4.17Å; E830-K888 HydrophobicContact CG-CB 4.16Å; E830-K888 HydrophobicContact CG-CD 4.39Å; E830-K888 HydrophobicContact CG-CG 4.27Å; E830-K888 WeakPolarHBondContact OE2-CD 3.16Å; E830-K888 IonicContact OE2-NZ 3.6Å; E830-K888 PolarHBondContact OE2-NZ 3.44Å; F862-K888 WeakPolarHBondContact CZ-O 3.36Å |
| 889 | V | 89.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.5 | -178.5 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | Q828 L829 F862 I864 V878 F891 | Q828-V889 WeakPolarHBondContact CA-O 3.29Å; L829-V889 HydrophobicContact CB-CG1 4.14Å; L829-V889 PolarHBondContact N-O 3.21Å; L829-V889 PolarHBondContact O-N 3.05Å; F862-V889 HydrophobicContact CB-CG2 3.77Å; F862-V889 HydrophobicContact CD1-CB 3.95Å; F862-V889 HydrophobicContact CD1-CG2 4.06Å; F862-V889 HydrophobicContact CD2-CB 4.45Å; F862-V889 HydrophobicContact CD2-CG2 4.16Å; F862-V889 HydrophobicContact CE1-CB 4.31Å; F862-V889 HydrophobicContact CG-CB 4.07Å; F862-V889 HydrophobicContact CG-CG2 3.73Å; I864-V889 HydrophobicContact CD1-CG2 4.12Å; V878-V889 HydrophobicContact CG1-CG1 3.87Å; V889-F891 HydrophobicContact CG1-CD1 4.3Å; V889-F891 HydrophobicContact CG1-CE1 4.1Å; V889-F891 HydrophobicContact CG2-CD1 4.28Å |
| 890 | N | 89.7 | Confident | 84.8 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.7 | 176.4 | -63.6 | -27 | 0 | 0 | 0 | 110.8 | V827 Q828 | V827-N890 WeakPolarHBondContact O-CA 3.36Å; Q828-N890 VanDerWaalsContact CB-OD1 3.3Å; Q828-N890 WeakPolarHBondContact CB-OD1 3Å; Q828-N890 WeakPolarHBondContact CG-OD1 3.31Å; Q828-N890 PolarHBondContact NE2-OD1 2.99Å |
| 891 | F | 89.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 165.4 | 179.2 | 55.5 | -88.5 | 0 | 0 | 0 | 112.4 | V827 L841 I854 S855 I856 I864 V889 L893 | V827-F891 HydrophobicContact CB-CD2 4.1Å; V827-F891 HydrophobicContact CB-CE2 3.76Å; V827-F891 HydrophobicContact CB-CZ 4.03Å; V827-F891 HydrophobicContact CG1-CE1 4.27Å; V827-F891 HydrophobicContact CG1-CE2 3.9Å; V827-F891 HydrophobicContact CG1-CZ 3.7Å; V827-F891 HydrophobicContact CG2-CE2 4.25Å; V827-F891 PolarHBondContact N-O 3.02Å; V827-F891 PolarHBondContact O-N 2.82Å; V827-F891 VanDerWaalsContact O-O 3.12Å; L841-F891 HydrophobicContact CD2-CE2 3.89Å; L841-F891 HydrophobicContact CD2-CZ 3.55Å; I854-F891 HydrophobicContact CD1-CB 4.26Å; I854-F891 HydrophobicContact CD1-CD2 3.44Å; I854-F891 VanDerWaalsContact CD1-CD2 3.44Å; I854-F891 HydrophobicContact CD1-CE2 3.9Å; I854-F891 HydrophobicContact CD1-CG 3.94Å; I854-F891 HydrophobicContact CG1-CB 4.26Å; I854-F891 HydrophobicContact CG1-CD2 3.92Å; I854-F891 HydrophobicContact CG1-CG 4.39Å; S855-F891 CarbonylContact O-C 3.48Å; S855-F891 WeakPolarHBondContact O-CA 3.05Å; S855-F891 WeakPolarHBondContact O-CB 3.41Å; I856-F891 HydrophobicContact CG1-CB 4.17Å; I864-F891 HydrophobicContact CD1-CB 4.31Å; I864-F891 HydrophobicContact CD1-CD1 3.3Å; I864-F891 HydrophobicContact CD1-CD2 4.43Å; I864-F891 HydrophobicContact CD1-CE1 3.54Å; I864-F891 HydrophobicContact CD1-CG 3.77Å; I864-F891 HydrophobicContact CD1-CZ 4.19Å; V889-F891 HydrophobicContact CG1-CD1 4.3Å; V889-F891 HydrophobicContact CG1-CE1 4.1Å; V889-F891 HydrophobicContact CG2-CD1 4.28Å; F891-L893 HydrophobicContact CD2-CD2 3.97Å; F891-L893 HydrophobicContact CD2-CG 4.18Å; F891-L893 HydrophobicContact CE2-CD1 4.41Å; F891-L893 HydrophobicContact CE2-CD2 3.84Å; F891-L893 HydrophobicContact CE2-CG 4.08Å |
| 892 | M | 89.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 46 Ų | 46 | 20% | 0.202 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.5 | -179.4 | 179.9 | 175.8 | 68.4 | 0 | 0 | 110.3 | A824 V825 I854 S855 | A824-M892 HydrophobicContact CB-CG 4.21Å; A824-M892 HydrophobicContact CB-SD 4.01Å; V825-M892 CarbonylContact O-C 3.59Å; V825-M892 WeakPolarHBondContact O-CA 3.07Å; I854-M892 CarbonylContact C-O 3.59Å; I854-M892 WeakPolarHBondContact CA-O 3.18Å; S855-M892 PolarHBondContact N-O 2.89Å; S855-M892 PolarHBondContact O-N 3.33Å; S855-M892 WeakPolarHBondContact OG-CE 3.47Å; S855-M892 PolarHBondContact OG-O 3.18Å |
| 893 | L | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.7 | 177.7 | -58.6 | 171.5 | 0 | 0 | 0 | 109.5 | A824 V825 V827 L843 F851 I854 F891 F895 L910 | A824-L893 CarbonylContact C-O 3.6Å; A824-L893 WeakPolarHBondContact CA-O 3.25Å; V825-L893 HydrophobicContact CB-CB 4.3Å; V825-L893 PolarHBondContact N-O 2.84Å; V825-L893 PolarHBondContact O-N 3.35Å; V827-L893 HydrophobicContact CG2-CD1 3.67Å; V827-L893 HydrophobicContact CG2-CG 4.07Å; L843-L893 HydrophobicContact CD1-CD1 3.79Å; L843-L893 HydrophobicContact CD1-CD2 4.19Å; L843-L893 HydrophobicContact CD2-CD1 3.61Å; L843-L893 HydrophobicContact CG-CD1 4.38Å; F851-L893 HydrophobicContact CE2-CB 4.11Å; F851-L893 HydrophobicContact CE2-CD2 3.68Å; F851-L893 HydrophobicContact CE2-CG 4.45Å; F851-L893 HydrophobicContact CZ-CD2 4.1Å; I854-L893 HydrophobicContact CB-CD2 4.28Å; I854-L893 HydrophobicContact CD1-CD2 3.94Å; I854-L893 HydrophobicContact CG1-CD2 4.02Å; F891-L893 HydrophobicContact CD2-CD2 3.97Å; F891-L893 HydrophobicContact CD2-CG 4.18Å; F891-L893 HydrophobicContact CE2-CD1 4.41Å; F891-L893 HydrophobicContact CE2-CD2 3.84Å; F891-L893 HydrophobicContact CE2-CG 4.08Å; L893-F895 HydrophobicContact CB-CD2 4.44Å; L893-F895 HydrophobicContact CB-CE2 3.58Å; L893-F895 HydrophobicContact CB-CZ 4.23Å; L893-L910 HydrophobicContact CD1-CD2 3.99Å |
| 894 | E | 90.1 | Very high | 86.2 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.7 | 178.5 | -61.7 | -173.7 | 155.6 | 0 | 0 | 110.8 | S852 S853 | S852-E894 WeakPolarHBondContact CA-O 3.46Å; S852-E894 WeakPolarHBondContact CB-O 2.92Å; S852-E894 PolarHBondContact N-O 3.12Å; S853-E894 PolarHBondContact N-O 3.43Å; S853-E894 PolarHBondContact O-N 3.41Å; S853-E894 PolarHBondContact OG-OE2 2.88Å |
| 895 | F | 90.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.8 | 179.7 | -63.9 | -96.1 | 0 | 0 | 0 | 110.9 | R822 L823 V825 Y845 L849 H850 F851 L893 M908 | R822-F895 CarbonylContact C-O 3.49Å; R822-F895 WeakPolarHBondContact CA-O 3.48Å; L823-F895 HydrophobicContact CB-CB 4.19Å; L823-F895 HydrophobicContact CD2-CB 4.29Å; L823-F895 HydrophobicContact CG-CB 4.41Å; L823-F895 PolarHBondContact N-O 2.89Å; L823-F895 PolarHBondContact O-N 3.02Å; V825-F895 HydrophobicContact CB-CE2 4.42Å; V825-F895 HydrophobicContact CG2-CD2 4.02Å; V825-F895 HydrophobicContact CG2-CE2 3.84Å; Y845-F895 AromaticContact CD1-CE1 3.59Å; Y845-F895 HydrophobicContact CD1-CE1 3.59Å; Y845-F895 HydrophobicContact CD1-CZ 4.29Å; Y845-F895 HydrophobicContact CD2-CE1 4.41Å; Y845-F895 AromaticContact CE1-CE1 3.73Å; Y845-F895 HydrophobicContact CE1-CE1 3.73Å; Y845-F895 HydrophobicContact CG-CD1 4.5Å; Y845-F895 AromaticContact CG-CE1 3.95Å; Y845-F895 HydrophobicContact CG-CE1 3.95Å; L849-F895 HydrophobicContact CB-CD1 4.28Å; L849-F895 HydrophobicContact CD2-CB 4.34Å; H850-F895 CarbonylContact O-C 3.54Å; H850-F895 WeakPolarHBondContact O-CA 3.3Å; H850-F895 WeakPolarHBondContact O-CB 3.36Å; F851-F895 HydrophobicContact CB-CD1 4.21Å; F851-F895 HydrophobicContact CB-CE1 3.99Å; F851-F895 HydrophobicContact CD2-CD1 4.26Å; F851-F895 AromaticContact CD2-CE1 3.69Å; F851-F895 HydrophobicContact CD2-CE1 3.69Å; F851-F895 HydrophobicContact CD2-CE2 4.28Å; F851-F895 AromaticContact CD2-CZ 3.7Å; F851-F895 HydrophobicContact CD2-CZ 3.7Å; F851-F895 HydrophobicContact CE2-CZ 4.37Å; F851-F895 HydrophobicContact CG-CE1 4.34Å; L893-F895 HydrophobicContact CB-CD2 4.44Å; L893-F895 HydrophobicContact CB-CE2 3.58Å; L893-F895 HydrophobicContact CB-CZ 4.23Å; F895-M908 HydrophobicContact CD1-CE 4.45Å; F895-M908 HydrophobicContact CD2-CE 4.05Å; F895-M908 HydrophobicContact CE1-CE 3.87Å; F895-M908 HydrophobicContact CE2-CE 3.4Å; F895-M908 VanDerWaalsContact CE2-CE 3.4Å; F895-M908 HydrophobicContact CZ-CE 3.3Å |
| 896 | E | 88.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.6 | 171.8 | -166.4 | 172.7 | -166.9 | 0 | 0 | 110.9 | R821 L849 H850 | R821-E896 HydrophobicContact CB-CG 3.83Å; R821-E896 IonicContact CZ-OE1 3.57Å; R821-E896 IonicContact NE-OE1 3.62Å; R821-E896 PolarHBondContact NE-OE1 2.97Å; R821-E896 IonicContact NH2-OE1 3.18Å; R821-E896 PolarHBondContact NH2-OE1 3.01Å; R821-E896 CarbonylContact O-C 3.52Å; R821-E896 VanDerWaalsContact O-CA 3.23Å; R821-E896 WeakPolarHBondContact O-CA 3.4Å; R821-E896 WeakPolarHBondContact O-CG 3.49Å; L849-E896 CarbonylContact C-O 3.56Å; L849-E896 WeakPolarHBondContact CA-O 3.39Å; H850-E896 PolarHBondContact N-O 3.47Å; H850-E896 PolarHBondContact O-N 3.37Å |
| 897 | F | 87.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134.4 | 177.7 | -76 | -84.4 | 0 | 0 | 0 | 112.3 | I816 R821 L823 N848 L849 V906 V934 Y936 | I816-F897 HydrophobicContact CD1-CD2 4.04Å; I816-F897 HydrophobicContact CD1-CE2 3.6Å; I816-F897 HydrophobicContact CD1-CZ 3.91Å; I816-F897 HydrophobicContact CG1-CD2 4.19Å; I816-F897 HydrophobicContact CG1-CE1 4.42Å; I816-F897 HydrophobicContact CG1-CE2 4.11Å; I816-F897 HydrophobicContact CG1-CG 4.41Å; I816-F897 HydrophobicContact CG1-CZ 4.22Å; I816-F897 HydrophobicContact CG2-CB 4.25Å; I816-F897 HydrophobicContact CG2-CD2 3.95Å; I816-F897 HydrophobicContact CG2-CG 4.15Å; R821-F897 HydrophobicContact CB-CB 4.37Å; R821-F897 WeakPolarHBondContact O-CD2 3.49Å; R821-F897 PolarHBondContact O-N 3.44Å; L823-F897 HydrophobicContact CB-CE2 4.27Å; N848-F897 CarbonylContact O-C 3.55Å; N848-F897 VanDerWaalsContact O-CA 3.29Å; N848-F897 WeakPolarHBondContact O-CA 3.36Å; N848-F897 WeakPolarHBondContact O-CD1 3.45Å; L849-F897 HydrophobicContact CD2-CD1 3.66Å; L849-F897 HydrophobicContact CD2-CD2 4.4Å; L849-F897 HydrophobicContact CD2-CE1 3.6Å; L849-F897 HydrophobicContact CD2-CE2 4.34Å; L849-F897 HydrophobicContact CD2-CG 4.09Å; L849-F897 HydrophobicContact CD2-CZ 3.95Å; F897-V906 HydrophobicContact CE1-CG2 3.69Å; F897-V906 HydrophobicContact CZ-CG2 4.11Å; F897-V934 HydrophobicContact CE1-CG1 4.25Å; F897-V934 HydrophobicContact CE1-CG2 4.2Å; F897-V934 HydrophobicContact CZ-CG1 4.15Å; F897-Y936 HydrophobicContact CB-CE1 4.47Å; F897-Y936 HydrophobicContact CD1-CE1 4.19Å |
| 898 | S | 84.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -69.9 | 139.7 | -179.6 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | N848 H850 T900 S901 | N848-S898 PolarHBondContact O-N 3.21Å; H850-S898 WeakPolarHBondContact NE2-CB 3.26Å; H850-S898 PolarHBondContact NE2-OG 2.98Å; S898-T900 PolarHBondContact OG-N 2.81Å; S898-T900 PolarHBondContact OG-OG1 2.73Å; S898-S901 PolarHBondContact OG-N 3.01Å | ||
| 899 | C | 77.6 | Confident | 86.9 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79 | -26.8 | 176.1 | -70.7 | 0 | 0 | 0 | 0 | 113.7 | R821 C978 Y979 | R821-C899 PolarHBondContact NH1-SG 3.41Å; C899-C978 HydrophobicContact CB-CB 3.56Å; C899-C978 WeakPolarHBondContact CB-O 3.35Å; C899-C978 WeakPolarHBondContact CB-SG 3.48Å; C899-C978 WeakPolarHBondContact SG-CB 3.43Å; C899-C978 CovalentContact SG-SG 2.04Å; C899-C978 PolarHBondContact SG-SG 3.4Å; C899-Y979 WeakPolarHBondContact O-CA 3.28Å |
| 900 | T | 76.4 | Confident | 87.1 | Confident | 106 Ų | 106 | 41.5 Ų | 41.5 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -106.5 | -23.5 | -171.1 | 54 | 0 | 0 | 0 | 0 | 113.6 | S898 | S898-T900 PolarHBondContact OG-N 2.81Å; S898-T900 PolarHBondContact OG-OG1 2.73Å |
| 901 | S | 81.4 | Confident | 87.3 | Confident | 42 Ų | 42 | 39 Ų | 39 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -117.3 | 82 | -173.5 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | R847 N848 S898 | R847-S901 WeakPolarHBondContact O-CB 3.49Å; N848-S901 WeakPolarHBondContact CA-O 3.41Å; N848-S901 WeakPolarHBondContact CB-O 3.4Å; N848-S901 PolarHBondContact N-O 2.97Å; S898-S901 PolarHBondContact OG-N 3.01Å | ||
| 902 | L | 82.4 | Confident | 87.5 | Confident | 27 Ų | 27 | 39 Ų | 39 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | trans | -85.4 | 127.8 | -176.1 | -57.4 | 179.7 | 0 | 0 | 0 | 110.9 | Y936 Y979 L1103 I1104 | L902-Y936 HydrophobicContact CB-CD2 4.18Å; L902-Y936 HydrophobicContact CB-CE2 4.05Å; L902-Y936 HydrophobicContact CD2-CD1 3.73Å; L902-Y936 HydrophobicContact CD2-CD2 3.99Å; L902-Y936 HydrophobicContact CD2-CE1 3.78Å; L902-Y936 HydrophobicContact CD2-CE2 4.04Å; L902-Y936 HydrophobicContact CD2-CG 3.84Å; L902-Y936 HydrophobicContact CG-CD2 4.47Å; L902-Y979 HydrophobicContact CD2-CD1 3.6Å; L902-Y979 HydrophobicContact CD2-CE1 3.94Å; L902-Y979 HydrophobicContact CD2-CG 4.36Å; L902-L1103 HydrophobicContact CB-CD1 4.17Å; L902-L1103 HydrophobicContact CB-CD2 3.87Å; L902-L1103 HydrophobicContact CB-CG 4.21Å; L902-I1104 HydrophobicContact CD1-CD1 4.48Å | ||
| 903 | H | 85.1 | Confident | 87.5 | Confident | 82 Ų | 82 | 39.3 Ų | 39.3 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | trans | -134.1 | 139.4 | 173.1 | -71.8 | -77.3 | 0 | 0 | 0 | 110.3 | N848 R905 V934 Y936 L1103 | N848-H903 HydrophobicContact CB-CB 3.98Å; N848-H903 PolarHBondContact ND2-O 2.87Å; N848-H903 VanDerWaalsContact ND2-O 3.11Å; H903-R905 PolarHBondContact O-N 3.06Å; H903-V934 WeakPolarHBondContact O-CG2 3.48Å; H903-Y936 WeakPolarHBondContact O-CE2 3.33Å; H903-Y936 PolarHBondContact O-OH 3.05Å; H903-L1103 VanDerWaalsContact C-CD1 3.48Å | ||
| 904 | N | 83.5 | Confident | 87.4 | Confident | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -72.6 | -6.4 | 176.7 | 66.6 | -12.9 | 0 | 0 | 0 | 113.2 | F933 V934 L1103 | N904-F933 CarbonylContact O-C 3.57Å; N904-F933 VanDerWaalsContact O-CA 3.24Å; N904-F933 WeakPolarHBondContact O-CA 3.46Å; N904-F933 WeakPolarHBondContact O-CD1 3.13Å; N904-V934 WeakPolarHBondContact CA-O 3.25Å; N904-V934 PolarHBondContact O-N 3.33Å; N904-L1103 HydrophobicContact CB-CD1 4.07Å; N904-L1103 VanDerWaalsContact N-CD1 3.33Å |
| 905 | R | 86.1 | Confident | 86.9 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.8 | -178.1 | -165.4 | 173.1 | 67.8 | 179.9 | 1.1 | 110.5 | N848 H903 Q907 T932 F933 | N848-R905 PolarHBondContact ND2-O 3.44Å; H903-R905 PolarHBondContact O-N 3.06Å; R905-Q907 HydrophobicContact CG-CG 4.01Å; R905-T932 CarbonylContact C-O 3.58Å; R905-T932 WeakPolarHBondContact CA-O 3.43Å; R905-T932 WeakPolarHBondContact CG-O 3.25Å; R905-F933 HydrophobicContact CB-CD1 4.24Å; R905-F933 HydrophobicContact CB-CE1 4.35Å; R905-F933 HydrophobicContact CG-CD1 4.27Å; R905-F933 HydrophobicContact CG-CE1 4.18Å |
| 906 | V | 88.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.1 | 167.8 | 171.3 | 0 | 0 | 0 | 0 | 108 | L823 S846 L849 F897 M908 Q931 T932 V934 | L823-V906 HydrophobicContact CD2-CG1 4.26Å; S846-V906 WeakPolarHBondContact OG-CA 3.26Å; L849-V906 HydrophobicContact CD1-CG1 3.63Å; F897-V906 HydrophobicContact CE1-CG2 3.69Å; F897-V906 HydrophobicContact CZ-CG2 4.11Å; V906-M908 HydrophobicContact CG1-CG 4.36Å; V906-Q931 CarbonylContact O-C 3.54Å; V906-Q931 VanDerWaalsContact O-CA 3.25Å; V906-Q931 WeakPolarHBondContact O-CA 3.35Å; V906-T932 HydrophobicContact CB-CG2 3.87Å; V906-T932 HydrophobicContact CG1-CG2 4.37Å; V906-T932 HydrophobicContact CG2-CG2 4.49Å; V906-T932 PolarHBondContact N-O 3.28Å; V906-T932 PolarHBondContact O-N 2.94Å; V906-V934 HydrophobicContact CG2-CG1 4.04Å; V906-V934 HydrophobicContact CG2-CG2 4.2Å |
| 907 | Q | 90.6 | Very high | 86.3 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.7 | 174.9 | -64 | -169.7 | -68.8 | 0 | 0 | 110.1 | Y845 S846 R905 L930 Q931 | Y845-Q907 CarbonylContact C-O 3.53Å; Y845-Q907 VanDerWaalsContact CA-O 3.3Å; Y845-Q907 WeakPolarHBondContact CA-O 3.5Å; S846-Q907 PolarHBondContact N-O 3.49Å; S846-Q907 PolarHBondContact OG-N 2.99Å; S846-Q907 PolarHBondContact OG-O 3.3Å; R905-Q907 HydrophobicContact CG-CG 4.01Å; Q907-L930 CarbonylContact C-O 3.57Å; Q907-L930 WeakPolarHBondContact CA-O 3.18Å; Q907-Q931 HydrophobicContact CG-CB 4.34Å |
| 908 | M | 91.6 | Very high | 86.4 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134.9 | 179.2 | -54.8 | -180 | 66.1 | 0 | 0 | 110.4 | L804 L823 V825 H844 L849 F895 V906 L910 Q929 L930 | L804-M908 HydrophobicContact CD2-SD 3.73Å; L823-M908 HydrophobicContact CD2-SD 4.1Å; V825-M908 HydrophobicContact CG2-CE 3.79Å; V825-M908 HydrophobicContact CG2-SD 3.86Å; H844-M908 CarbonylContact O-C 3.49Å; H844-M908 VanDerWaalsContact O-CA 3.27Å; H844-M908 WeakPolarHBondContact O-CA 3.17Å; L849-M908 HydrophobicContact CD1-CG 4.29Å; L849-M908 HydrophobicContact CD1-SD 4.01Å; F895-M908 HydrophobicContact CD1-CE 4.45Å; F895-M908 HydrophobicContact CD2-CE 4.05Å; F895-M908 HydrophobicContact CE1-CE 3.87Å; F895-M908 HydrophobicContact CE2-CE 3.4Å; F895-M908 VanDerWaalsContact CE2-CE 3.4Å; F895-M908 HydrophobicContact CZ-CE 3.3Å; V906-M908 HydrophobicContact CG1-CG 4.36Å; M908-L910 HydrophobicContact CB-CD1 4.26Å; M908-Q929 CarbonylContact O-C 3.56Å; M908-Q929 WeakPolarHBondContact O-CA 2.8Å; M908-L930 HydrophobicContact CB-CB 4.35Å; M908-L930 PolarHBondContact N-O 3.37Å; M908-L930 PolarHBondContact O-N 2.92Å |
| 909 | K | 92.6 | Very high | 86.5 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.1 | 170.1 | 178.8 | 176.3 | 179.8 | -179.3 | 0 | 108.2 | H844 S911 V928 Q929 | H844-K909 HydrophobicContact CB-CB 4.38Å; H844-K909 PolarHBondContact N-O 2.88Å; H844-K909 PolarHBondContact O-N 2.02Å; K909-S911 WeakPolarHBondContact CE-OG 3.48Å; K909-V928 CarbonylContact C-O 3.58Å; K909-V928 WeakPolarHBondContact CA-O 3.26Å; K909-Q929 HydrophobicContact CB-CG 4.19Å; K909-Q929 HydrophobicContact CD-CG 4.35Å; K909-Q929 HydrophobicContact CG-CG 4Å |
| 910 | L | 93.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.3 | 173.9 | -65.8 | 78.9 | 0 | 0 | 0 | 107.8 | L800 A802 V827 L841 K842 L843 L893 M908 S927 V928 L930 | L800-L910 HydrophobicContact CD2-CB 3.78Å; A802-L910 HydrophobicContact CB-CD2 4.14Å; V827-L910 HydrophobicContact CG1-CD2 4.36Å; V827-L910 HydrophobicContact CG2-CD2 3.68Å; L841-L910 HydrophobicContact CD1-CB 4.25Å; L841-L910 HydrophobicContact CD2-CD2 4.42Å; K842-L910 CarbonylContact O-C 3.58Å; K842-L910 WeakPolarHBondContact O-CA 3.28Å; L843-L910 HydrophobicContact CD2-CB 4.28Å; L843-L910 HydrophobicContact CD2-CD2 3.55Å; L843-L910 HydrophobicContact CD2-CG 3.56Å; L893-L910 HydrophobicContact CD1-CD2 3.99Å; M908-L910 HydrophobicContact CB-CD1 4.26Å; L910-S927 CarbonylContact O-C 3.55Å; L910-S927 WeakPolarHBondContact O-CA 3.38Å; L910-S927 WeakPolarHBondContact O-CB 3.45Å; L910-V928 PolarHBondContact N-O 2.81Å; L910-V928 PolarHBondContact O-N 3.07Å; L910-L930 HydrophobicContact CD1-CD1 4.22Å |
| 911 | S | 93.2 | Very high | 87.2 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 120 | -179 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | K842 K909 N926 | K842-S911 PolarHBondContact N-O 3.27Å; K842-S911 PolarHBondContact O-N 3.45Å; K909-S911 WeakPolarHBondContact CE-OG 3.48Å; S911-N926 CarbonylContact C-O 3.35Å; S911-N926 WeakPolarHBondContact CA-O 3.45Å |
| 912 | A | 93.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | L798 L829 S840 L841 N926 | L798-A912 HydrophobicContact CD1-CB 4.31Å; L829-A912 HydrophobicContact CD1-CB 3.6Å; L829-A912 HydrophobicContact CD2-CB 4.48Å; S840-A912 CarbonylContact O-C 3.47Å; S840-A912 WeakPolarHBondContact O-CA 3.46Å; L841-A912 HydrophobicContact CD1-CB 4.4Å; A912-N926 PolarHBondContact N-O 2.88Å |
| 913 | T | 89.4 | Confident | 87.6 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.4 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | T839 S840 | T839-T913 CarbonylContact C-O 3.48Å; T839-T913 WeakPolarHBondContact CA-O 3.33Å; S840-T913 PolarHBondContact N-O 3.15Å; S840-T913 PolarHBondContact O-N 3.29Å; S840-T913 PolarHBondContact O-OG1 2.79Å; S840-T913 PolarHBondContact OG-OG1 2.79Å |
| 914 | S | 88.4 | Confident | 87.6 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | trans | -133.5 | 167.9 | 167.6 | 83 | 0 | 0 | 0 | 0 | 110.7 | T796 S916 | T796-S914 PolarHBondContact OG1-OG 2.93Å; S914-S916 WeakPolarHBondContact OG-CB 3.33Å; S914-S916 PolarHBondContact OG-N 3.04Å | ||
| 915 | D | 80.4 | Confident | 88 | Confident | 97 Ų | 97 | 68 Ų | 68 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -81.7 | -5.6 | 172.2 | -70.6 | -6.5 | 0 | 0 | 0 | 112.6 | K786 Y837 N838 | K786-D915 IonicContact NZ-OD2 2.85Å; K786-D915 PolarHBondContact NZ-OD2 3.14Å; Y837-D915 PolarHBondContact O-N 3.39Å; N838-D915 PolarHBondContact ND2-OD2 2.92Å |
| 916 | S | 83.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -81.4 | 152.9 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | C794 N835 Y837 S914 | C794-S916 WeakPolarHBondContact CB-OG 3.03Å; C794-S916 CarbonylContact O-C 3.51Å; C794-S916 WeakPolarHBondContact O-CA 3.37Å; C794-S916 VanDerWaalsContact O-CB 3.29Å; C794-S916 WeakPolarHBondContact O-CB 3.38Å; N835-S916 PolarHBondContact O-OG 3.01Å; Y837-S916 PolarHBondContact N-OG 3.3Å; S914-S916 WeakPolarHBondContact OG-CB 3.33Å; S914-S916 PolarHBondContact OG-N 3.04Å |
| 917 | S | 83.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 146.1 | 175.3 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | V793 C794 T795 T796 | V793-S917 WeakPolarHBondContact CG1-OG 3.32Å; C794-S917 PolarHBondContact O-N 2.95Å; C794-S917 PolarHBondContact O-OG 3.21Å; T795-S917 CarbonylContact C-O 3.58Å; T795-S917 WeakPolarHBondContact CA-O 3.45Å; T795-S917 PolarHBondContact OG1-OG 2.94Å; T795-S917 VanDerWaalsContact OG1-OG 3.09Å; T796-S917 PolarHBondContact N-O 3.28Å |
| 918 | E | 88.5 | Confident | 88.6 | Confident | 36 Ų | 36 | 63.7 Ų | 63.7 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.1 | 176.9 | 179.5 | 157.7 | -179.6 | 0 | 0 | 108.7 | T796 D797 L798 T922 L923 N926 | T796-E918 WeakPolarHBondContact O-CB 3.49Å; T796-E918 VanDerWaalsContact O-CG 3.24Å; T796-E918 WeakPolarHBondContact O-CG 3.08Å; D797-E918 WeakPolarHBondContact CA-OE1 3.45Å; L798-E918 PolarHBondContact N-OE1 2.77Å; E918-T922 WeakPolarHBondContact CG-OG1 3.31Å; E918-T922 PolarHBondContact OE1-OG1 3.43Å; E918-L923 HydrophobicContact CB-CD2 4.17Å; E918-L923 HydrophobicContact CG-CD2 3.97Å; E918-N926 PolarHBondContact OE1-ND2 3.09Å |
| 919 | R | 86.9 | Confident | 88.6 | Confident | 161 Ų | 161 | 70.3 Ų | 70.3 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | trans | -74.9 | 139.3 | -175.7 | -63.9 | -178.1 | -177.9 | -177.8 | 2 | 110 | E921 T922 | R919-E921 PolarHBondContact O-N 2.82Å; R919-E921 VanDerWaalsContact O-N 3.08Å; R919-T922 PolarHBondContact O-N 3.41Å; R919-T922 PolarHBondContact O-OG1 3.13Å | ||
| 920 | E | 84.3 | Confident | 88.5 | Confident | 174 Ų | 174 | 67.6 Ų | 67.6 | 81% | 0.813 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -55.7 | -31.9 | -179 | -74.1 | -176 | 164.8 | 0 | 0 | 113.4 | T922 L923 | E920-T922 VanDerWaalsContact C-N 3.28Å; E920-T922 PolarHBondContact O-N 2.9Å; E920-L923 HydrophobicContact CG-CD1 4.34Å; E920-L923 PolarHBondContact O-N 3.47Å |
| 921 | E | 84.6 | Confident | 88.2 | Confident | 177 Ų | 177 | 74.1 Ų | 74.1 | 83% | 0.827 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -64.3 | -25 | 179.2 | -62 | 175.6 | -177.9 | 0 | 0 | 114.1 | R919 | R919-E921 PolarHBondContact O-N 2.82Å; R919-E921 VanDerWaalsContact O-N 3.08Å |
| 922 | T | 86.6 | Confident | 87.9 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 23% | 0.233 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -104.9 | 3.1 | -179.1 | 65 | 0 | 0 | 0 | 0 | 112.8 | D797 E918 R919 E920 E924 N926 | D797-T922 WeakPolarHBondContact OD1-CB 3.38Å; E918-T922 WeakPolarHBondContact CG-OG1 3.31Å; E918-T922 PolarHBondContact OE1-OG1 3.43Å; R919-T922 PolarHBondContact O-N 3.41Å; R919-T922 PolarHBondContact O-OG1 3.13Å; E920-T922 VanDerWaalsContact C-N 3.28Å; E920-T922 PolarHBondContact O-N 2.9Å; T922-E924 PolarHBondContact O-N 3.09Å; T922-N926 PolarHBondContact O-ND2 2.99Å |
| 923 | L | 86.1 | Confident | 87.6 | Confident | 88 Ų | 88 | 80 Ų | 80 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -71.3 | -15.9 | -179.7 | -69.6 | 177.3 | 0 | 0 | 0 | 113.9 | E918 E920 N926 | E918-L923 HydrophobicContact CB-CD2 4.17Å; E918-L923 HydrophobicContact CG-CD2 3.97Å; E920-L923 HydrophobicContact CG-CD1 4.34Å; E920-L923 PolarHBondContact O-N 3.47Å; L923-N926 WeakPolarHBondContact O-CB 3.37Å |
| 924 | E | 85.6 | Confident | 87.4 | Confident | 171 Ų | 171 | 77.9 Ų | 77.9 | 80% | 0.799 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.2 | -35.7 | -175.9 | -65.8 | -163.5 | 163 | 0 | 0 | 113.5 | T922 N926 | T922-E924 PolarHBondContact O-N 3.09Å; E924-N926 PolarHBondContact O-N 3.42Å |
| 925 | D | 90.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.7 | -178.8 | 71 | -6.5 | 0 | 0 | 0 | 113.6 | V799 L800 S927 | V799-D925 HydrophobicContact CG1-CB 4.41Å; V799-D925 WeakPolarHBondContact CG2-OD2 3.42Å; L800-D925 PolarHBondContact N-O 2.97Å; D925-S927 VanDerWaalsContact C-N 3.25Å; D925-S927 PolarHBondContact O-N 3.32Å |
| 926 | N | 91.6 | Very high | 87.4 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.9 | 169 | -88.6 | -60.8 | 0 | 0 | 0 | 114.3 | L798 L800 S911 A912 E918 T922 L923 E924 | L798-N926 WeakPolarHBondContact CB-OD1 3.33Å; L798-N926 PolarHBondContact O-ND2 3.14Å; L798-N926 PolarHBondContact O-OD1 3.33Å; L800-N926 WeakPolarHBondContact CD2-O 3.31Å; S911-N926 CarbonylContact C-O 3.35Å; S911-N926 WeakPolarHBondContact CA-O 3.45Å; A912-N926 PolarHBondContact N-O 2.88Å; E918-N926 PolarHBondContact OE1-ND2 3.09Å; T922-N926 PolarHBondContact O-ND2 2.99Å; L923-N926 WeakPolarHBondContact O-CB 3.37Å; E924-N926 PolarHBondContact O-N 3.42Å |
| 927 | S | 92 | Very high | 87.4 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.6 | -173 | 78.3 | 0 | 0 | 0 | 0 | 115.7 | L910 D925 | L910-S927 CarbonylContact O-C 3.55Å; L910-S927 WeakPolarHBondContact O-CA 3.38Å; L910-S927 WeakPolarHBondContact O-CB 3.45Å; D925-S927 VanDerWaalsContact C-N 3.25Å; D925-S927 PolarHBondContact O-N 3.32Å |
| 928 | V | 94.2 | Very high | 87.2 | Confident | 29 Ų | 29 | 74.4 Ų | 74.4 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.4 | 179.1 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | L800 A802 K909 L910 L930 | L800-V928 HydrophobicContact CD2-CG2 4.45Å; L800-V928 HydrophobicContact CG-CG2 4.22Å; L800-V928 WeakPolarHBondContact O-CG2 2.98Å; A802-V928 HydrophobicContact CB-CB 4.47Å; A802-V928 HydrophobicContact CB-CG1 4.09Å; K909-V928 CarbonylContact C-O 3.58Å; K909-V928 WeakPolarHBondContact CA-O 3.26Å; L910-V928 PolarHBondContact N-O 2.81Å; L910-V928 PolarHBondContact O-N 3.07Å; V928-L930 HydrophobicContact CG1-CD2 4.19Å; V928-L930 HydrophobicContact CG1-CG 4.33Å |
| 929 | Q | 91.7 | Very high | 86.9 | Confident | 146 Ų | 146 | 76 Ų | 76 | 68% | 0.682 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.1 | 176.2 | -62.4 | -173.6 | 17.1 | 0 | 0 | 112.4 | M908 K909 | M908-Q929 CarbonylContact O-C 3.56Å; M908-Q929 WeakPolarHBondContact O-CA 2.8Å; K909-Q929 HydrophobicContact CB-CG 4.19Å; K909-Q929 HydrophobicContact CD-CG 4.35Å; K909-Q929 HydrophobicContact CG-CG 4Å |
| 930 | L | 90.3 | Very high | 86.7 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.2 | -175.6 | -55.6 | 169.5 | 0 | 0 | 0 | 110.8 | A802 L804 V825 Q907 M908 L910 V928 | A802-L930 HydrophobicContact CB-CD1 4.2Å; L804-L930 HydrophobicContact CD1-CB 3.9Å; L804-L930 HydrophobicContact CD2-CB 4.13Å; L804-L930 HydrophobicContact CD2-CD1 3.75Å; L804-L930 HydrophobicContact CG-CB 3.87Å; L804-L930 HydrophobicContact CG-CD1 3.9Å; L804-L930 HydrophobicContact CG-CG 4.3Å; V825-L930 HydrophobicContact CG1-CD1 3.84Å; Q907-L930 CarbonylContact C-O 3.57Å; Q907-L930 WeakPolarHBondContact CA-O 3.18Å; M908-L930 HydrophobicContact CB-CB 4.35Å; M908-L930 PolarHBondContact N-O 3.37Å; M908-L930 PolarHBondContact O-N 2.92Å; L910-L930 HydrophobicContact CD1-CD1 4.22Å; V928-L930 HydrophobicContact CG1-CD2 4.19Å; V928-L930 HydrophobicContact CG1-CG 4.33Å |
| 931 | Q | 88.6 | Confident | 86.6 | Confident | 138 Ų | 138 | 66.1 Ų | 66.1 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 143.9 | -179.9 | 61.1 | 178.4 | -12.8 | 0 | 0 | 115.4 | V906 Q907 | V906-Q931 CarbonylContact O-C 3.54Å; V906-Q931 VanDerWaalsContact O-CA 3.25Å; V906-Q931 WeakPolarHBondContact O-CA 3.35Å; Q907-Q931 HydrophobicContact CG-CB 4.34Å |
| 932 | T | 87.4 | Confident | 86.7 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 170.4 | 176 | -173 | 0 | 0 | 0 | 0 | 113.3 | L804 I806 R905 V906 | L804-T932 HydrophobicContact CD1-CG2 4.1Å; I806-T932 HydrophobicContact CD1-CG2 3.63Å; R905-T932 CarbonylContact C-O 3.58Å; R905-T932 WeakPolarHBondContact CA-O 3.43Å; R905-T932 WeakPolarHBondContact CG-O 3.25Å; V906-T932 HydrophobicContact CB-CG2 3.87Å; V906-T932 HydrophobicContact CG1-CG2 4.37Å; V906-T932 HydrophobicContact CG2-CG2 4.49Å; V906-T932 PolarHBondContact N-O 3.28Å; V906-T932 PolarHBondContact O-N 2.94Å |
| 933 | F | 85.8 | Confident | 86.7 | Confident | 126 Ų | 126 | 59 Ų | 59 | 55% | 0.553 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.2 | -177.1 | -63.7 | -84.2 | 0 | 0 | 0 | 114 | N904 R905 | N904-F933 CarbonylContact O-C 3.57Å; N904-F933 VanDerWaalsContact O-CA 3.24Å; N904-F933 WeakPolarHBondContact O-CA 3.46Å; N904-F933 WeakPolarHBondContact O-CD1 3.13Å; R905-F933 HydrophobicContact CB-CD1 4.24Å; R905-F933 HydrophobicContact CB-CE1 4.35Å; R905-F933 HydrophobicContact CG-CD1 4.27Å; R905-F933 HydrophobicContact CG-CE1 4.18Å |
| 934 | V | 85.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.2 | -175.4 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | Y814 I816 F897 H903 N904 V906 Y936 | Y814-V934 CarbonylContact O-C 3.58Å; Y814-V934 WeakPolarHBondContact O-CA 3.09Å; I816-V934 HydrophobicContact CG1-CB 4.3Å; F897-V934 HydrophobicContact CE1-CG1 4.25Å; F897-V934 HydrophobicContact CE1-CG2 4.2Å; F897-V934 HydrophobicContact CZ-CG1 4.15Å; H903-V934 WeakPolarHBondContact O-CG2 3.48Å; N904-V934 WeakPolarHBondContact CA-O 3.25Å; N904-V934 PolarHBondContact O-N 3.33Å; V906-V934 HydrophobicContact CG2-CG1 4.04Å; V906-V934 HydrophobicContact CG2-CG2 4.2Å; V934-Y936 HydrophobicContact CG2-CE2 4.17Å |
| 935 | Q | 85.2 | Confident | 87 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157.3 | 174 | -69.7 | -176.8 | -28.4 | 0 | 0 | 111.7 | P813 Y814 I816 | P813-Q935 HydrophobicContact CG-CG 4.34Å; Y814-Q935 PolarHBondContact O-N 3.27Å; I816-Q935 PolarHBondContact N-O 3.26Å |
| 936 | Y | 83.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.4 | -175.4 | -56.7 | -88.1 | 0 | 0 | 0 | 113 | I816 N848 F897 L902 H903 V934 Y979 L1103 I1104 T1105 | I816-Y936 HydrophobicContact CB-CD1 4.09Å; I816-Y936 HydrophobicContact CB-CE1 4.31Å; I816-Y936 HydrophobicContact CG1-CE1 4.38Å; N848-Y936 WeakPolarHBondContact CB-OH 3.33Å; N848-Y936 PolarHBondContact ND2-OH 3.49Å; N848-Y936 VanDerWaalsContact ND2-OH 3.13Å; F897-Y936 HydrophobicContact CB-CE1 4.47Å; F897-Y936 HydrophobicContact CD1-CE1 4.19Å; L902-Y936 HydrophobicContact CB-CD2 4.18Å; L902-Y936 HydrophobicContact CB-CE2 4.05Å; L902-Y936 HydrophobicContact CD2-CD1 3.73Å; L902-Y936 HydrophobicContact CD2-CD2 3.99Å; L902-Y936 HydrophobicContact CD2-CE1 3.78Å; L902-Y936 HydrophobicContact CD2-CE2 4.04Å; L902-Y936 HydrophobicContact CD2-CG 3.84Å; L902-Y936 HydrophobicContact CG-CD2 4.47Å; H903-Y936 WeakPolarHBondContact O-CE2 3.33Å; H903-Y936 PolarHBondContact O-OH 3.05Å; V934-Y936 HydrophobicContact CG2-CE2 4.17Å; Y936-Y979 AromaticContact CD1-CE1 3.98Å; Y936-Y979 HydrophobicContact CD1-CE1 3.98Å; Y936-Y979 HydrophobicContact CD1-CE2 4.34Å; Y936-Y979 AromaticContact CD1-CZ 3.84Å; Y936-Y979 HydrophobicContact CE1-CE1 4.49Å; Y936-L1103 HydrophobicContact CD2-CD1 3.91Å; Y936-L1103 HydrophobicContact CD2-CG 4.26Å; Y936-L1103 HydrophobicContact CE2-CD1 3.85Å; Y936-L1103 PolarHBondContact N-O 2.67Å; Y936-I1104 WeakPolarHBondContact O-CA 3.25Å; Y936-T1105 PolarHBondContact O-N 2.8Å |
| 937 | E | 82.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.4 | 176.9 | -171.9 | 175.4 | 178.8 | 0 | 0 | 109.6 | V815 I816 R817 T1105 | V815-E937 HydrophobicContact CG1-CB 4.43Å; I816-E937 PolarHBondContact O-N 3.29Å; R817-E937 HydrophobicContact CG-CB 4.5Å; R817-E937 IonicContact CZ-OE2 2.93Å; R817-E937 IonicContact NE-OE2 2.77Å; R817-E937 PolarHBondContact NE-OE2 3.33Å; R817-E937 IonicContact NH2-OE2 3.78Å; E937-T1105 HydrophobicContact CB-CG2 4.29Å |
| 938 | P | 80 | Confident | 86.7 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | trans | -90.2 | 152.2 | -177.2 | 35 | -33.6 | 0 | 0 | 0 | 113.6 | L940 V981 I1104 T1105 L1106 | P938-L940 HydrophobicContact CB-CG 4.47Å; P938-L940 HydrophobicContact CG-CG 4.48Å; P938-V981 HydrophobicContact CB-CG2 3.51Å; P938-V981 HydrophobicContact CG-CG2 3.77Å; P938-I1104 HydrophobicContact CG-CG2 3.81Å; P938-T1105 WeakPolarHBondContact CD-O 3.47Å; P938-L1106 HydrophobicContact CG-CD2 3.82Å | ||
| 939 | D | 81.8 | Confident | 86.3 | Confident | 70 Ų | 70 | 58.4 Ų | 58.4 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -97.6 | 90.3 | 178.9 | -55.8 | -48.4 | 0 | 0 | 0 | 111 | S818 N975 V976 G977 | S818-D939 WeakPolarHBondContact CB-OD2 3.03Å; S818-D939 PolarHBondContact OG-OD2 3.49Å; D939-N975 PolarHBondContact O-OD1 3.47Å; D939-V976 PolarHBondContact O-N 3Å; D939-G977 PolarHBondContact O-N 2.89Å; D939-G977 VanDerWaalsContact O-N 3.1Å | ||
| 940 | L | 82.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145 | -178.8 | -60.8 | 178.6 | 0 | 0 | 0 | 112.3 | P938 N975 V981 L984 L1063 L1096 L1106 | P938-L940 HydrophobicContact CB-CG 4.47Å; P938-L940 HydrophobicContact CG-CG 4.48Å; L940-N975 HydrophobicContact CD2-CB 3.97Å; L940-V981 HydrophobicContact CD1-CG2 4.4Å; L940-V981 HydrophobicContact CD2-CG2 4.12Å; L940-L984 HydrophobicContact CD1-CD1 4.09Å; L940-L984 HydrophobicContact CD1-CD2 4.18Å; L940-L1063 HydrophobicContact CD2-CD2 3.99Å; L940-L1096 HydrophobicContact CD1-CD2 4.3Å; L940-L1106 HydrophobicContact CD1-CD2 3.97Å |
| 941 | F | 82.9 | Confident | 86.1 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.6 | 176.6 | -170.1 | -99.5 | 0 | 0 | 0 | 111.2 | L974 V976 | F941-L974 HydrophobicContact CB-CB 4.32Å; F941-L974 PolarHBondContact N-O 2.93Å; F941-L974 PolarHBondContact O-N 2.81Å; F941-V976 HydrophobicContact CB-CG2 4.15Å |
| 942 | V | 86.1 | Confident | 86 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.1 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | I971 R972 L973 Y1094 L1096 V1111 | V942-I971 HydrophobicContact CG1-CG2 3.95Å; V942-R972 WeakPolarHBondContact CA-O 3.37Å; V942-L973 HydrophobicContact CB-CD2 4.32Å; V942-L973 HydrophobicContact CG1-CD2 3.83Å; V942-L973 HydrophobicContact CG2-CD2 3.67Å; V942-Y1094 HydrophobicContact CB-CE2 4.19Å; V942-Y1094 HydrophobicContact CG1-CD2 3.75Å; V942-Y1094 HydrophobicContact CG1-CE2 3.44Å; V942-Y1094 VanDerWaalsContact CG1-CE2 3.44Å; V942-L1096 HydrophobicContact CG2-CB 4.35Å; V942-L1096 HydrophobicContact CG2-CD2 3.86Å; V942-V1111 HydrophobicContact CG2-CG1 3.87Å |
| 943 | S | 86.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.1 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 112.1 | I971 R972 | S943-I971 CarbonylContact O-C 3.54Å; S943-I971 WeakPolarHBondContact O-CA 3.47Å; S943-R972 PolarHBondContact N-O 2.74Å; S943-R972 PolarHBondContact O-N 3.14Å |
| 944 | S | 88.1 | Confident | 85.4 | Confident | 38 Ų | 38 | 54.3 Ų | 54.3 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.3 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 112 | Y970 Y1094 T1115 | S944-Y970 CarbonylContact C-O 3.56Å; S944-Y970 VanDerWaalsContact CA-O 3.28Å; S944-Y970 WeakPolarHBondContact CA-O 3.3Å; S944-Y1094 VanDerWaalsContact OG-CE1 3.3Å; S944-Y1094 WeakPolarHBondContact OG-CE1 3.37Å; S944-Y1094 PolarHBondContact OG-OH 2.94Å; S944-Y1094 VanDerWaalsContact OG-OH 3.08Å; S944-T1115 VanDerWaalsContact OG-CG2 3.29Å; S944-T1115 WeakPolarHBondContact OG-CG2 3.21Å |
| 945 | E | 89 | Confident | 84.4 | Confident | 107 Ų | 107 | 56.9 Ų | 56.9 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.4 | -179.8 | -173 | 176.1 | -168.2 | 0 | 0 | 110 | Y970 R972 | E945-Y970 PolarHBondContact N-O 3.41Å; E945-Y970 PolarHBondContact O-N 2.84Å; E945-R972 IonicContact OE2-CZ 2.69Å; E945-R972 IonicContact OE2-NH1 2.74Å; E945-R972 IonicContact OE2-NH2 3.9Å; E945-R972 PolarHBondContact OE2-NH2 2.86Å |
| 946 | S | 88.6 | Confident | 83.3 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139 | 179.1 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | L948 N949 Y968 T969 | S946-L948 PolarHBondContact O-N 3.48Å; S946-L948 PolarHBondContact OG-N 3.25Å; S946-L948 PolarHBondContact OG-O 3.05Å; S946-N949 WeakPolarHBondContact CB-OD1 3.43Å; S946-N949 PolarHBondContact O-OD1 3.08Å; S946-Y968 WeakPolarHBondContact CA-O 3.5Å; S946-Y968 PolarHBondContact OG-O 3.11Å; S946-T969 PolarHBondContact OG-OG1 3.02Å |
| 947 | N | 90.4 | Very high | 82.1 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 49% | 0.492 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -77 | -13.6 | 176.1 | 74.3 | -29.3 | 0 | 0 | 0 | 112.9 | F967 Y968 | N947-F967 WeakPolarHBondContact OD1-CB 3.14Å; N947-Y968 PolarHBondContact N-O 2.9Å; N947-Y968 WeakPolarHBondContact ND2-CD2 3.21Å; N947-Y968 PolarHBondContact OD1-N 2.57Å; N947-Y968 PolarHBondContact OD1-O 2.64Å; N947-Y968 VanDerWaalsContact OD1-O 3.08Å |
| 948 | L | 88.7 | Confident | 80.8 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | trans | -127.5 | 111.9 | 174.1 | -168.5 | 69 | 0 | 0 | 0 | 108.4 | S946 R950 Y951 P965 F967 L1117 | S946-L948 PolarHBondContact O-N 3.48Å; S946-L948 PolarHBondContact OG-N 3.25Å; S946-L948 PolarHBondContact OG-O 3.05Å; L948-R950 VanDerWaalsContact CD1-O 3.26Å; L948-R950 WeakPolarHBondContact CD1-O 3.39Å; L948-Y951 HydrophobicContact CD2-CG 4.47Å; L948-P965 HydrophobicContact CD2-CG 4.19Å; L948-F967 HydrophobicContact CB-CB 3.43Å; L948-F967 VanDerWaalsContact CB-CB 3.43Å; L948-F967 HydrophobicContact CB-CD2 3.91Å; L948-F967 HydrophobicContact CB-CG 3.79Å; L948-F967 HydrophobicContact CD2-CB 3.7Å; L948-F967 HydrophobicContact CD2-CD1 3.92Å; L948-F967 HydrophobicContact CD2-CG 3.83Å; L948-F967 HydrophobicContact CG-CB 4.23Å; L948-F967 HydrophobicContact CG-CG 4.44Å; L948-L1117 HydrophobicContact CD2-CD1 4.28Å; L948-L1117 HydrophobicContact CG-CD1 3.99Å | ||
| 949 | N | 86.9 | Confident | 79.4 | Confident | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -107.7 | -17.1 | 175.4 | -61.9 | -38.7 | 0 | 0 | 0 | 111.7 | S946 E1118 | S946-N949 WeakPolarHBondContact CB-OD1 3.43Å; S946-N949 PolarHBondContact O-OD1 3.08Å; N949-E1118 PolarHBondContact O-N 2.92Å |
| 950 | R | 88.9 | Confident | 78.1 | Confident | 152 Ų | 152 | 75.6 Ų | 75.6 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 134.2 | -177.9 | -163.5 | 174.7 | -157.6 | -142.3 | -8.9 | 110.9 | L948 E1118 L1120 | L948-R950 VanDerWaalsContact CD1-O 3.26Å; L948-R950 WeakPolarHBondContact CD1-O 3.39Å; R950-E1118 CarbonylContact C-O 3.5Å; R950-E1118 WeakPolarHBondContact CA-O 3.5Å; R950-E1118 HydrophobicContact CG-CB 4.28Å; R950-E1118 IonicContact CZ-OE2 3.23Å; R950-E1118 IonicContact NE-OE2 3.49Å; R950-E1118 PolarHBondContact NE-OE2 3.44Å; R950-E1118 IonicContact NH2-OE2 2.69Å; R950-L1120 HydrophobicContact CG-CD1 4.23Å |
| 951 | Y | 88.9 | Confident | 77 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139 | -179.2 | 179.3 | -121.7 | 0 | 0 | 0 | 111.5 | L948 V953 P965 V1075 D1077 E1118 V1119 L1120 | L948-Y951 HydrophobicContact CD2-CG 4.47Å; Y951-V953 HydrophobicContact CD1-CG2 4.14Å; Y951-V953 HydrophobicContact CE1-CG2 3.83Å; Y951-P965 HydrophobicContact CD2-CG 3.67Å; Y951-P965 HydrophobicContact CE1-CG 4.28Å; Y951-P965 HydrophobicContact CE2-CG 3.43Å; Y951-P965 VanDerWaalsContact CE2-CG 3.43Å; Y951-P965 HydrophobicContact CG-CG 4.24Å; Y951-P965 VanDerWaalsContact OH-CD 3.25Å; Y951-P965 WeakPolarHBondContact OH-CD 2.88Å; Y951-V1075 HydrophobicContact CD1-CG1 4.21Å; Y951-V1075 HydrophobicContact CE1-CG1 4.25Å; Y951-D1077 WeakPolarHBondContact CE1-OD1 2.86Å; Y951-D1077 PolarHBondContact OH-OD1 3.35Å; Y951-D1077 PolarHBondContact OH-OD2 3.28Å; Y951-E1118 PolarHBondContact N-O 3.13Å; Y951-V1119 HydrophobicContact CD1-CG1 4.48Å; Y951-V1119 CarbonylContact O-C 3.46Å; Y951-V1119 VanDerWaalsContact O-CA 3.3Å; Y951-V1119 WeakPolarHBondContact O-CA 3.32Å; Y951-L1120 PolarHBondContact O-N 3.37Å |
| 952 | E | 85.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 75 Ų | 75 | 42% | 0.416 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.3 | 178.7 | -173.5 | 178.4 | 171.6 | 0 | 0 | 110.7 | L1120 G1122 | E952-L1120 WeakPolarHBondContact CA-O 3.48Å; E952-L1120 HydrophobicContact CB-CB 4.33Å; E952-L1120 HydrophobicContact CG-CB 4.24Å; E952-G1122 WeakPolarHBondContact OE1-CA 3.39Å |
| 953 | V | 84.4 | Confident | 75.8 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.024 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.1 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | Y951 D1077 F1080 R1081 V1119 L1120 G1122 | Y951-V953 HydrophobicContact CD1-CG2 4.14Å; Y951-V953 HydrophobicContact CE1-CG2 3.83Å; V953-D1077 HydrophobicContact CG1-CB 4.34Å; V953-F1080 HydrophobicContact CB-CB 4.46Å; V953-F1080 HydrophobicContact CG1-CB 4.23Å; V953-F1080 HydrophobicContact CG2-CB 3.88Å; V953-F1080 HydrophobicContact CG2-CG 4.39Å; V953-R1081 HydrophobicContact CG1-CG 3.83Å; V953-V1119 HydrophobicContact CG2-CG1 3.61Å; V953-L1120 PolarHBondContact N-O 3.06Å; V953-G1122 PolarHBondContact O-N 3.31Å |
| 954 | H | 76.5 | Confident | 75.5 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -77.4 | 138.4 | -180 | -67 | -58.9 | 0 | 0 | 0 | 112.3 | R1081 | H954-R1081 PolarHBondContact O-NE 3.07Š| ||
| 955 | P | 65.8 | Low | 75.4 | Confident | 56 Ų | 56 | 77.3 Ų | 77.3 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -79.6 | -14.4 | -171.7 | 27.7 | -33.3 | 0 | 0 | 0 | 116.1 | A1124 | P955-A1124 HydrophobicContact CG-CB 4.11Š|
| 956 | T | 61.8 | Low | 75.3 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 72% | 0.718 | 41% | 0.409 | S | S | * | . | trans | -142 | 98.4 | -174.4 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 957 | R | 57.7 | Low | 75.5 | Confident | 148 Ų | 148 | 74.4 Ų | 74.4 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | trans | -145 | 156.8 | 165.1 | -74.8 | -159.1 | 178.8 | 178.2 | -1.5 | 111.3 | E961 | R957-E961 WeakPolarHBondContact CD-OE2 3.42Å; R957-E961 IonicContact CZ-OE2 2.78Å; R957-E961 IonicContact NE-OE2 3.55Å; R957-E961 IonicContact NH1-OE1 2.88Å; R957-E961 IonicContact NH1-OE2 3.39Å; R957-E961 PolarHBondContact NH1-OE2 3.26Å | ||
| 958 | T | 54.7 | Low | 75.5 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 63% | 0.632 | 39% | 0.393 | S | S | * | . | trans | -60.4 | 151.3 | -178.1 | 36.4 | 0 | 0 | 0 | 0 | 112.7 | S960 E961 | T958-S960 PolarHBondContact O-N 3.44Å; T958-E961 PolarHBondContact O-N 2.75Å; T958-E961 VanDerWaalsContact O-N 3.14Å | ||
| 959 | A | 52 | Low | 75.7 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 85% | 0.851 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -11 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E961 | A959-E961 VanDerWaalsContact C-N 3.29Å; A959-E961 PolarHBondContact O-N 3Å |
| 960 | S | 52.8 | Low | 75.9 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 73% | 0.734 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11 | 175.4 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | T958 | T958-S960 PolarHBondContact O-N 3.44Š|
| 961 | E | 60.2 | Low | 76 | Confident | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | trans | -116.7 | 58.1 | 178.5 | -67.2 | -176.3 | -177.3 | 0 | 0 | 111.4 | R957 T958 A959 M963 R1081 | R957-E961 WeakPolarHBondContact CD-OE2 3.42Å; R957-E961 IonicContact CZ-OE2 2.78Å; R957-E961 IonicContact NE-OE2 3.55Å; R957-E961 IonicContact NH1-OE1 2.88Å; R957-E961 IonicContact NH1-OE2 3.39Å; R957-E961 PolarHBondContact NH1-OE2 3.26Å; T958-E961 PolarHBondContact O-N 2.75Å; T958-E961 VanDerWaalsContact O-N 3.14Å; A959-E961 VanDerWaalsContact C-N 3.29Å; A959-E961 PolarHBondContact O-N 3Å; E961-M963 VanDerWaalsContact C-N 3.26Å; E961-R1081 PolarHBondContact O-NH1 3.22Å; E961-R1081 VanDerWaalsContact O-NH1 3.16Å; E961-R1081 PolarHBondContact O-NH2 2.94Å | ||
| 962 | A | 65.8 | Low | 76 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | trans | -69.3 | -22.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1077 D1078 | A962-D1077 PolarHBondContact O-N 2.85Å; A962-D1078 WeakPolarHBondContact CA-OD1 3.3Å; A962-D1078 WeakPolarHBondContact CB-OD2 3.47Å; A962-D1078 PolarHBondContact O-N 3.07Å | ||
| 963 | M | 77.8 | Confident | 76.1 | Confident | 93 Ų | 93 | 62 Ų | 62 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -105.6 | 134.1 | -174.2 | -66.1 | -77.5 | -179.3 | 0 | 0 | 110.4 | E961 H1076 | E961-M963 VanDerWaalsContact C-N 3.26Å; M963-H1076 VanDerWaalsContact CE-CE1 3.5Å; M963-H1076 WeakPolarHBondContact CE-CE1 3.47Å; M963-H1076 VanDerWaalsContact SD-CD2 3.56Å; M963-H1076 PolarHBondContact SD-NE2 3.2Å; M963-H1076 VanDerWaalsContact SD-NE2 3.44Å |
| 964 | G | 81.1 | Confident | 76.2 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | trans | -80.8 | -170.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1074 V1075 D1077 | G964-R1074 VanDerWaalsContact O-CG 3.29Å; G964-R1074 WeakPolarHBondContact O-CG 3.3Å; G964-V1075 WeakPolarHBondContact CA-O 3.07Å; G964-V1075 PolarHBondContact N-O 3.2Å; G964-D1077 VanDerWaalsContact CA-OD1 3.31Å; G964-D1077 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 965 | P | 85.4 | Confident | 76.5 | Confident | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | trans | -67.6 | 148.6 | -176.4 | 29.8 | -35.8 | 0 | 0 | 0 | 111.6 | L948 Y951 V1075 | L948-P965 HydrophobicContact CD2-CG 4.19Å; Y951-P965 HydrophobicContact CD2-CG 3.67Å; Y951-P965 HydrophobicContact CE1-CG 4.28Å; Y951-P965 HydrophobicContact CE2-CG 3.43Å; Y951-P965 VanDerWaalsContact CE2-CG 3.43Å; Y951-P965 HydrophobicContact CG-CG 4.24Å; Y951-P965 VanDerWaalsContact OH-CD 3.25Å; Y951-P965 WeakPolarHBondContact OH-CD 2.88Å; P965-V1075 PolarHBondContact O-N 2.98Å | ||
| 966 | E | 88.3 | Confident | 77.2 | Confident | 63 Ų | 63 | 64 Ų | 64 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.4 | 166 | -174.1 | 165.5 | -159.2 | 0 | 0 | 110.1 | Y968 T1004 R1073 R1074 | E966-Y968 HydrophobicContact CG-CE1 4.31Å; E966-T1004 VanDerWaalsContact OE1-CB 3.32Å; E966-T1004 WeakPolarHBondContact OE1-CB 3.33Å; E966-T1004 PolarHBondContact OE1-OG1 2.95Å; E966-R1073 CarbonylContact C-O 3.49Å; E966-R1073 WeakPolarHBondContact CA-O 3.31Å; E966-R1074 IonicContact OE2-CZ 3.81Å; E966-R1074 IonicContact OE2-NE 3.22Å; E966-R1074 IonicContact OE2-NH2 3.65Å; E966-R1074 PolarHBondContact OE2-NH2 3.07Å |
| 967 | F | 91.1 | Very high | 77.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.6 | -179.7 | 75.8 | -82.8 | 0 | 0 | 0 | 111.4 | N947 L948 M1001 S1072 R1073 V1075 L1117 | N947-F967 WeakPolarHBondContact OD1-CB 3.14Å; L948-F967 HydrophobicContact CB-CB 3.43Å; L948-F967 VanDerWaalsContact CB-CB 3.43Å; L948-F967 HydrophobicContact CB-CD2 3.91Å; L948-F967 HydrophobicContact CB-CG 3.79Å; L948-F967 HydrophobicContact CD2-CB 3.7Å; L948-F967 HydrophobicContact CD2-CD1 3.92Å; L948-F967 HydrophobicContact CD2-CG 3.83Å; L948-F967 HydrophobicContact CG-CB 4.23Å; L948-F967 HydrophobicContact CG-CG 4.44Å; F967-M1001 HydrophobicContact CE1-CE 4.31Å; F967-M1001 HydrophobicContact CE1-SD 4.33Å; F967-M1001 HydrophobicContact CZ-CE 4.11Å; F967-M1001 HydrophobicContact CZ-SD 4.07Å; F967-S1072 WeakPolarHBondContact O-CA 3.34Å; F967-R1073 HydrophobicContact CD1-CB 4.15Å; F967-R1073 VanDerWaalsContact CD1-O 3.26Å; F967-R1073 WeakPolarHBondContact CD1-O 3.44Å; F967-R1073 HydrophobicContact CE1-CB 3.63Å; F967-R1073 HydrophobicContact CE2-CB 4.39Å; F967-R1073 HydrophobicContact CZ-CB 3.77Å; F967-R1073 PolarHBondContact N-O 3.27Å; F967-R1073 PolarHBondContact O-N 3.24Å; F967-V1075 HydrophobicContact CD1-CG2 4.18Å; F967-V1075 HydrophobicContact CE1-CG2 3.81Å; F967-L1117 HydrophobicContact CE1-CD2 3.86Å; F967-L1117 HydrophobicContact CE2-CD2 4.3Å; F967-L1117 HydrophobicContact CZ-CD2 3.64Å |
| 968 | Y | 91.9 | Very high | 78.6 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133 | -170.4 | -48.5 | -69.3 | 0 | 0 | 0 | 110.4 | S946 N947 E966 R1070 I1071 S1072 | S946-Y968 WeakPolarHBondContact CA-O 3.5Å; S946-Y968 PolarHBondContact OG-O 3.11Å; N947-Y968 PolarHBondContact N-O 2.9Å; N947-Y968 WeakPolarHBondContact ND2-CD2 3.21Å; N947-Y968 PolarHBondContact OD1-N 2.57Å; N947-Y968 PolarHBondContact OD1-O 2.64Å; N947-Y968 VanDerWaalsContact OD1-O 3.08Å; E966-Y968 HydrophobicContact CG-CE1 4.31Å; Y968-R1070 HydrophobicContact CD1-CG 4.35Å; Y968-R1070 HydrophobicContact CG-CG 4.48Å; Y968-I1071 WeakPolarHBondContact CA-O 3.03Å; Y968-S1072 WeakPolarHBondContact CD1-OG 3.33Å; Y968-S1072 WeakPolarHBondContact CE1-OG 3.47Å |
| 969 | T | 91.7 | Very high | 79.8 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.3 | 170.1 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | S946 R1070 I1071 R1073 T1115 | S946-T969 PolarHBondContact OG-OG1 3.02Å; T969-R1070 WeakPolarHBondContact O-CA 3.44Å; T969-I1071 PolarHBondContact N-O 3.39Å; T969-I1071 PolarHBondContact O-N 3.1Å; T969-R1073 PolarHBondContact OG1-NH2 3.34Å; T969-T1115 HydrophobicContact CG2-CG2 4.12Å |
| 970 | Y | 92.2 | Very high | 80.7 | Confident | 65 Ų | 65 | 46.5 Ų | 46.5 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.7 | 176.9 | -60.3 | -87.5 | 0 | 0 | 0 | 109.2 | S944 E945 V1068 I1069 R1070 | S944-Y970 CarbonylContact C-O 3.56Å; S944-Y970 VanDerWaalsContact CA-O 3.28Å; S944-Y970 WeakPolarHBondContact CA-O 3.3Å; E945-Y970 PolarHBondContact N-O 3.41Å; E945-Y970 PolarHBondContact O-N 2.84Å; Y970-V1068 HydrophobicContact CD1-CG1 3.95Å; Y970-I1069 CarbonylContact C-O 3.5Å; Y970-I1069 WeakPolarHBondContact CA-O 3.44Å; Y970-R1070 HydrophobicContact CD1-CB 3.92Å; Y970-R1070 HydrophobicContact CD1-CG 3.95Å; Y970-R1070 HydrophobicContact CE1-CB 3.88Å; Y970-R1070 VanDerWaalsContact CE1-CD 3.47Å; Y970-R1070 HydrophobicContact CE1-CG 3.57Å |
| 971 | I | 90.7 | Very high | 81.8 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.1 | 169.2 | -60.6 | 174.3 | 0 | 0 | 0 | 107.5 | V942 S943 L986 V988 V1068 I1069 I1071 Y1094 | V942-I971 HydrophobicContact CG1-CG2 3.95Å; S943-I971 CarbonylContact O-C 3.54Å; S943-I971 WeakPolarHBondContact O-CA 3.47Å; I971-L986 HydrophobicContact CB-CD2 4.45Å; I971-L986 HydrophobicContact CD1-CD2 4.35Å; I971-L986 HydrophobicContact CG2-CD1 4.46Å; I971-L986 HydrophobicContact CG2-CD2 3.89Å; I971-V988 HydrophobicContact CD1-CB 4.41Å; I971-V988 HydrophobicContact CD1-CG1 4.01Å; I971-V988 HydrophobicContact CD1-CG2 3.48Å; I971-V988 VanDerWaalsContact CD1-CG2 3.48Å; I971-V1068 WeakPolarHBondContact O-CA 3.44Å; I971-I1069 PolarHBondContact N-O 3.37Å; I971-I1069 PolarHBondContact O-N 2.98Å; I971-I1071 HydrophobicContact CD1-CD1 4Å; I971-Y1094 HydrophobicContact CD1-CG 4.46Å |
| 972 | R | 89 | Confident | 82.6 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.2 | 178.3 | -58 | -168.1 | -176.3 | 145.8 | 15.1 | 109.5 | V942 S943 E945 A1067 V1068 | V942-R972 WeakPolarHBondContact CA-O 3.37Å; S943-R972 PolarHBondContact N-O 2.74Å; S943-R972 PolarHBondContact O-N 3.14Å; E945-R972 IonicContact OE2-CZ 2.69Å; E945-R972 IonicContact OE2-NH1 2.74Å; E945-R972 IonicContact OE2-NH2 3.9Å; E945-R972 PolarHBondContact OE2-NH2 2.86Å; R972-A1067 WeakPolarHBondContact CA-O 3.26Å; R972-V1068 HydrophobicContact CG-CG1 4.26Å; R972-V1068 HydrophobicContact CG-CG2 4.06Å |
| 973 | L | 88 | Confident | 83.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.6 | 170 | -56.2 | 176.9 | 0 | 0 | 0 | 107.6 | V942 L986 V1060 L1063 Q1066 A1067 I1069 L1096 | V942-L973 HydrophobicContact CB-CD2 4.32Å; V942-L973 HydrophobicContact CG1-CD2 3.83Å; V942-L973 HydrophobicContact CG2-CD2 3.67Å; L973-L986 HydrophobicContact CD2-CD1 4.28Å; L973-V1060 HydrophobicContact CD1-CG2 3.92Å; L973-L1063 HydrophobicContact CB-CD1 3.9Å; L973-L1063 HydrophobicContact CB-CD2 4.19Å; L973-Q1066 CarbonylContact O-C 3.57Å; L973-Q1066 WeakPolarHBondContact O-CA 3.39Å; L973-A1067 HydrophobicContact CB-CB 4.42Å; L973-A1067 PolarHBondContact N-O 3.07Å; L973-A1067 PolarHBondContact O-N 3.36Å; L973-I1069 HydrophobicContact CD1-CD1 4.31Å; L973-L1096 HydrophobicContact CD1-CD1 4.23Å; L973-L1096 HydrophobicContact CD2-CD1 4.12Å; L973-L1096 HydrophobicContact CD2-CD2 4.25Å |
| 974 | L | 85.3 | Confident | 83.7 | Confident | 69 Ų | 69 | 38.2 Ų | 38.2 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.1 | -178.8 | -176.7 | 71.9 | 0 | 0 | 0 | 110 | F941 V976 Q1066 | F941-L974 HydrophobicContact CB-CB 4.32Å; F941-L974 PolarHBondContact N-O 2.93Å; F941-L974 PolarHBondContact O-N 2.81Å; L974-V976 HydrophobicContact CD2-CG2 4.05Å; L974-V976 HydrophobicContact CG-CG2 4.21Å; L974-Q1066 HydrophobicContact CD1-CB 4.17Å |
| 975 | N | 83.4 | Confident | 84 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.2 | 171.1 | -174.1 | 10.1 | 0 | 0 | 0 | 109 | D939 L940 G977 Y979 L1063 G1064 Q1065 | D939-N975 PolarHBondContact O-OD1 3.47Å; L940-N975 HydrophobicContact CD2-CB 3.97Å; N975-G977 PolarHBondContact OD1-N 3.43Å; N975-G977 PolarHBondContact OD1-O 3.04Å; N975-Y979 PolarHBondContact ND2-O 3.18Å; N975-L1063 HydrophobicContact CB-CD2 4.22Å; N975-L1063 HydrophobicContact CB-CG 4.49Å; N975-G1064 PolarHBondContact ND2-O 2.64Å; N975-Q1065 PolarHBondContact N-O 3.16Å |
| 976 | V | 79.7 | Confident | 84.2 | Confident | 105 Ų | 105 | 38 Ų | 38 | 64% | 0.636 | 20% | 0.2 | S | C | * | . | trans | -93 | -18.9 | 179.8 | -150.7 | 0 | 0 | 0 | 0 | 110.9 | D939 F941 L974 | D939-V976 PolarHBondContact O-N 3Å; F941-V976 HydrophobicContact CB-CG2 4.15Å; L974-V976 HydrophobicContact CD2-CG2 4.05Å; L974-V976 HydrophobicContact CG-CG2 4.21Å | ||
| 977 | G | 73.1 | Confident | 84.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79.4 | 169.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D939 N975 | D939-G977 PolarHBondContact O-N 2.89Å; D939-G977 VanDerWaalsContact O-N 3.1Å; N975-G977 PolarHBondContact OD1-N 3.43Å; N975-G977 PolarHBondContact OD1-O 3.04Å |
| 978 | C | 75.6 | Confident | 84.4 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 30% | 0.297 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -86.6 | -13.2 | 179.9 | 82.1 | 0 | 0 | 0 | 0 | 113.7 | R821 C899 | R821-C978 PolarHBondContact NH1-SG 3.19Å; C899-C978 HydrophobicContact CB-CB 3.56Å; C899-C978 WeakPolarHBondContact CB-O 3.35Å; C899-C978 WeakPolarHBondContact CB-SG 3.48Å; C899-C978 WeakPolarHBondContact SG-CB 3.43Å; C899-C978 CovalentContact SG-SG 2.04Å; C899-C978 PolarHBondContact SG-SG 3.4Å |
| 979 | Y | 80.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -82 | 124.3 | -177.1 | -56.6 | -47.5 | 0 | 0 | 0 | 111.1 | C899 L902 Y936 N975 V981 | C899-Y979 WeakPolarHBondContact O-CA 3.28Å; L902-Y979 HydrophobicContact CD2-CD1 3.6Å; L902-Y979 HydrophobicContact CD2-CE1 3.94Å; L902-Y979 HydrophobicContact CD2-CG 4.36Å; Y936-Y979 AromaticContact CD1-CE1 3.98Å; Y936-Y979 HydrophobicContact CD1-CE1 3.98Å; Y936-Y979 HydrophobicContact CD1-CE2 4.34Å; Y936-Y979 AromaticContact CD1-CZ 3.84Å; Y936-Y979 HydrophobicContact CE1-CE1 4.49Å; N975-Y979 PolarHBondContact ND2-O 3.18Å; Y979-V981 PolarHBondContact O-N 3.22Å |
| 980 | S | 72.6 | Confident | 84.4 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | trans | -72.8 | 124.1 | 170.8 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 981 | V | 75.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.3 | -177.6 | -168 | 0 | 0 | 0 | 0 | 109.6 | P938 L940 Y979 L984 L1063 I1104 | P938-V981 HydrophobicContact CB-CG2 3.51Å; P938-V981 HydrophobicContact CG-CG2 3.77Å; L940-V981 HydrophobicContact CD1-CG2 4.4Å; L940-V981 HydrophobicContact CD2-CG2 4.12Å; Y979-V981 PolarHBondContact O-N 3.22Å; V981-L984 HydrophobicContact CB-CD1 4.18Å; V981-L984 HydrophobicContact CB-CG 4.47Å; V981-L984 HydrophobicContact CG1-CD1 4.03Å; V981-L984 HydrophobicContact CG1-CD2 3.62Å; V981-L984 HydrophobicContact CG1-CG 3.84Å; V981-L1063 PolarHBondContact O-N 3.36Å; V981-I1104 HydrophobicContact CG1-CD1 4Å |
| 982 | S | 77.5 | Confident | 84.4 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 40% | 0.399 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 161.8 | 180 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | Q1061 | S982-Q1061 WeakPolarHBondContact CA-O 3.44Å; S982-Q1061 WeakPolarHBondContact CB-O 3.15Å |
| 983 | N | 80.4 | Confident | 84.5 | Confident | 75 Ų | 75 | 30.2 Ų | 30.2 | 40% | 0.401 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 50.4 | -179 | -53.6 | -30.4 | 0 | 0 | 0 | 112.7 | V1060 Q1061 Q1099 | N983-V1060 PolarHBondContact N-O 3.17Å; N983-Q1061 PolarHBondContact N-O 3.1Å; N983-Q1061 VanDerWaalsContact N-O 3.1Å; N983-Q1099 HydrophobicContact CB-CB 4.22Å; N983-Q1099 PolarHBondContact O-N 2.86Å; N983-Q1099 VanDerWaalsContact O-N 3.1Å |
| 984 | L | 85.1 | Confident | 84.4 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138 | 170.7 | -63.9 | 173 | 0 | 0 | 0 | 109.4 | L940 V981 V1060 L1063 L1096 S1097 A1098 | L940-L984 HydrophobicContact CD1-CD1 4.09Å; L940-L984 HydrophobicContact CD1-CD2 4.18Å; V981-L984 HydrophobicContact CB-CD1 4.18Å; V981-L984 HydrophobicContact CB-CG 4.47Å; V981-L984 HydrophobicContact CG1-CD1 4.03Å; V981-L984 HydrophobicContact CG1-CD2 3.62Å; V981-L984 HydrophobicContact CG1-CG 3.84Å; L984-V1060 HydrophobicContact CB-CB 4.13Å; L984-V1060 PolarHBondContact N-O 3.4Å; L984-V1060 PolarHBondContact O-N 2.95Å; L984-L1063 HydrophobicContact CD1-CB 4.04Å; L984-L1063 HydrophobicContact CD1-CD2 3.93Å; L984-L1096 HydrophobicContact CB-CD1 3.81Å; L984-L1096 HydrophobicContact CD1-CD1 4.37Å; L984-L1096 HydrophobicContact CD1-CD2 4.4Å; L984-S1097 CarbonylContact C-O 3.57Å; L984-S1097 WeakPolarHBondContact CA-O 3.44Å; L984-A1098 HydrophobicContact CD2-CB 3.84Å |
| 985 | E | 87.9 | Confident | 84.3 | Confident | 56 Ų | 56 | 27.4 Ų | 27.4 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114 | 172.9 | -174.3 | -175.5 | 118.9 | 0 | 0 | 108.5 | R987 V1057 L1096 S1097 | E985-R987 IonicContact OE1-CZ 3.11Å; E985-R987 IonicContact OE1-NE 2.82Å; E985-R987 PolarHBondContact OE1-NE 2.85Å; E985-R987 IonicContact OE1-NH2 2.8Å; E985-R987 PolarHBondContact OE1-NH2 2.85Å; E985-V1057 HydrophobicContact CG-CG1 3.73Å; E985-L1096 WeakPolarHBondContact O-CA 3.45Å; E985-S1097 PolarHBondContact N-O 3.19Å; E985-S1097 PolarHBondContact O-N 2.93Å |
| 986 | L | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.7 | 167.6 | 177 | 73.1 | 0 | 0 | 0 | 108.5 | I971 L973 V988 C1058 I1069 L1096 | I971-L986 HydrophobicContact CB-CD2 4.45Å; I971-L986 HydrophobicContact CD1-CD2 4.35Å; I971-L986 HydrophobicContact CG2-CD1 4.46Å; I971-L986 HydrophobicContact CG2-CD2 3.89Å; L973-L986 HydrophobicContact CD2-CD1 4.28Å; L986-V988 HydrophobicContact CD2-CG2 4.07Å; L986-V988 HydrophobicContact CG-CG2 3.99Å; L986-C1058 HydrophobicContact CB-CB 4.3Å; L986-C1058 PolarHBondContact N-O 3.44Å; L986-C1058 PolarHBondContact O-N 3.37Å; L986-I1069 HydrophobicContact CD2-CD1 3.46Å; L986-I1069 VanDerWaalsContact CD2-CD1 3.46Å; L986-L1096 HydrophobicContact CB-CD1 3.97Å; L986-L1096 HydrophobicContact CD1-CB 3.99Å |
| 987 | R | 90.5 | Very high | 84.3 | Confident | 79 Ų | 79 | 32.7 Ų | 32.7 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.7 | 176.1 | -172.5 | 174 | -67.5 | -126.1 | 3.3 | 109.6 | E985 L989 E1055 Y1094 S1095 | E985-R987 IonicContact OE1-CZ 3.11Å; E985-R987 IonicContact OE1-NE 2.82Å; E985-R987 PolarHBondContact OE1-NE 2.85Å; E985-R987 IonicContact OE1-NH2 2.8Å; E985-R987 PolarHBondContact OE1-NH2 2.85Å; R987-L989 HydrophobicContact CG-CD2 4.43Å; R987-E1055 WeakPolarHBondContact CD-OE1 3.44Å; R987-E1055 HydrophobicContact CG-CG 4.43Å; R987-E1055 IonicContact CZ-OE1 3.61Å; R987-E1055 VanDerWaalsContact CZ-OE1 3.29Å; R987-E1055 IonicContact NE-OE1 3.77Å; R987-E1055 PolarHBondContact NE-OE1 3.27Å; R987-E1055 IonicContact NH1-OE1 3.59Å; R987-E1055 PolarHBondContact NH1-OE1 2.84Å; R987-E1055 IonicContact NH1-OE2 2.82Å; R987-Y1094 CarbonylContact O-C 3.31Å; R987-Y1094 VanDerWaalsContact O-CA 3.27Å; R987-Y1094 WeakPolarHBondContact O-CA 3.39Å; R987-S1095 PolarHBondContact N-O 3.48Å; R987-S1095 PolarHBondContact O-N 3.46Å |
| 988 | V | 92.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.5 | 179.5 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | I971 L986 L990 V1056 I1071 A1093 | I971-V988 HydrophobicContact CD1-CB 4.41Å; I971-V988 HydrophobicContact CD1-CG1 4.01Å; I971-V988 HydrophobicContact CD1-CG2 3.48Å; I971-V988 VanDerWaalsContact CD1-CG2 3.48Å; L986-V988 HydrophobicContact CD2-CG2 4.07Å; L986-V988 HydrophobicContact CG-CG2 3.99Å; V988-L990 HydrophobicContact CG1-CD2 3.59Å; V988-L990 HydrophobicContact CG1-CG 4.03Å; V988-V1056 HydrophobicContact CB-CB 4.25Å; V988-V1056 PolarHBondContact N-O 2.75Å; V988-V1056 PolarHBondContact O-N 3.45Å; V988-I1071 HydrophobicContact CB-CD1 4.19Å; V988-I1071 HydrophobicContact CG1-CD1 3.95Å; V988-I1071 HydrophobicContact CG2-CD1 4.09Å; V988-A1093 WeakPolarHBondContact CA-O 3.32Å |
| 989 | L | 92.1 | Very high | 85.4 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.6 | -178.9 | -58.4 | 174.1 | 0 | 0 | 0 | 109.2 | R987 C1048 C1053 E1055 S1092 A1093 | R987-L989 HydrophobicContact CG-CD2 4.43Å; L989-C1048 HydrophobicContact CB-CB 4.43Å; L989-C1048 WeakPolarHBondContact CB-SG 3.37Å; L989-C1053 HydrophobicContact CB-CB 4.3Å; L989-E1055 HydrophobicContact CD2-CB 4.29Å; L989-E1055 HydrophobicContact CD2-CG 4.07Å; L989-S1092 WeakPolarHBondContact O-CA 3.47Å; L989-S1092 WeakPolarHBondContact O-CB 3.3Å; L989-A1093 PolarHBondContact N-O 2.98Å; L989-A1093 PolarHBondContact O-N 3.43Å; L989-A1093 VanDerWaalsContact O-N 3.12Å |
| 990 | L | 93.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106.1 | -170.3 | -56.4 | 171 | 0 | 0 | 0 | 110.8 | V988 S992 V1003 C1053 T1054 V1056 I1071 | V988-L990 HydrophobicContact CG1-CD2 3.59Å; V988-L990 HydrophobicContact CG1-CG 4.03Å; L990-S992 PolarHBondContact O-N 3.42Å; L990-S992 VanDerWaalsContact O-N 3.15Å; L990-S992 PolarHBondContact O-OG 3.46Å; L990-V1003 HydrophobicContact CD1-CG2 3.47Å; L990-V1003 VanDerWaalsContact CD1-CG2 3.47Å; L990-C1053 VanDerWaalsContact C-SG 3.55Å; L990-C1053 CarbonylContact O-C 3.58Å; L990-C1053 VanDerWaalsContact O-CA 3.22Å; L990-C1053 WeakPolarHBondContact O-CA 3.47Å; L990-T1054 WeakPolarHBondContact CB-O 3.31Å; L990-T1054 PolarHBondContact N-O 3.39Å; L990-T1054 PolarHBondContact O-N 2.95Å; L990-V1056 HydrophobicContact CD1-CG2 3.58Å; L990-I1071 HydrophobicContact CD1-CG2 3.76Å |
| 991 | P | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 119.3 | 175.4 | -29 | 36.7 | 0 | 0 | 0 | 111.6 | F1000 S1051 C1053 I1090 I1091 | P991-F1000 VanDerWaalsContact C-CZ 3.44Å; P991-F1000 HydrophobicContact CB-CE2 4.12Å; P991-F1000 HydrophobicContact CB-CZ 3.72Å; P991-F1000 WeakPolarHBondContact O-CE2 3.36Å; P991-S1051 WeakPolarHBondContact CB-OG 3.28Å; P991-C1053 WeakPolarHBondContact CA-SG 3.32Å; P991-I1090 HydrophobicContact CB-CG2 3.78Å; P991-I1090 HydrophobicContact CG-CG2 4.05Å; P991-I1091 WeakPolarHBondContact CG-O 3.27Å |
| 992 | S | 89.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -37.9 | -171 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | L990 F1000 M1001 W1052 T1054 | L990-S992 PolarHBondContact O-N 3.42Å; L990-S992 VanDerWaalsContact O-N 3.15Å; L990-S992 PolarHBondContact O-OG 3.46Å; S992-F1000 WeakPolarHBondContact O-CD1 3.25Å; S992-F1000 PolarHBondContact O-N 2.92Å; S992-M1001 WeakPolarHBondContact CA-O 3.4Å; S992-M1001 VanDerWaalsContact CB-O 3.28Å; S992-M1001 WeakPolarHBondContact CB-O 3.32Å; S992-M1001 PolarHBondContact O-N 3.46Å; S992-W1052 PolarHBondContact N-O 2.87Å; S992-T1054 VanDerWaalsContact CB-OG1 3.25Å; S992-T1054 WeakPolarHBondContact CB-OG1 3.33Å; S992-T1054 VanDerWaalsContact OG-CB 3.32Å; S992-T1054 WeakPolarHBondContact OG-CB 3.31Å; S992-T1054 PolarHBondContact OG-OG1 3.44Å |
| 993 | V | 89.4 | Confident | 88.1 | Confident | 11 Ų | 11 | 31.8 Ų | 31.8 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.6 | -171.4 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | D997 A999 V1022 S1051 W1052 | V993-D997 VanDerWaalsContact CG1-C 3.43Å; V993-A999 HydrophobicContact CG2-CB 4.41Å; V993-V1022 HydrophobicContact CB-CG2 4.46Å; V993-V1022 HydrophobicContact CG1-CG2 4.27Å; V993-V1022 HydrophobicContact CG2-CG2 3.94Å; V993-S1051 CarbonylContact O-C 3.16Å; V993-S1051 WeakPolarHBondContact O-CA 3.32Å; V993-S1051 WeakPolarHBondContact O-CB 3.35Å; V993-W1052 HydrophobicContact CB-CB 4.17Å; V993-W1052 PolarHBondContact N-O 2.93Å; V993-W1052 VanDerWaalsContact N-O 3.1Å; V993-W1052 PolarHBondContact O-N 2.99Å |
| 994 | A | 86.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -84.3 | -168.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A998 F1000 F1079 | A994-A998 PolarHBondContact N-O 2.99Å; A994-F1000 HydrophobicContact CB-CD1 4.03Å; A994-F1000 HydrophobicContact CB-CE1 4.29Å; A994-F1079 HydrophobicContact CB-CE2 3.63Å; A994-F1079 HydrophobicContact CB-CZ 3.65Å | ||
| 995 | A | 82.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.9 | 158.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | D997 A998 P1034 L1035 H1036 | A995-D997 PolarHBondContact O-N 3.25Å; A995-A998 PolarHBondContact O-N 2.95Å; A995-P1034 HydrophobicContact CB-CB 4.21Å; A995-P1034 HydrophobicContact CB-CG 4.32Å; A995-L1035 WeakPolarHBondContact CB-O 3.17Å; A995-L1035 PolarHBondContact N-O 3.42Å; A995-H1036 HydrophobicContact CB-CB 4.45Å |
| 996 | E | 81 | Confident | 88.7 | Confident | 148 Ų | 148 | 32.8 Ų | 32.8 | 69% | 0.692 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | 62.1 | 25.3 | -179.4 | -54.1 | 177.1 | 179.9 | 0 | 0 | 114.4 | A998 H1036 | E996-A998 PolarHBondContact O-N 3.24Å; E996-H1036 IonicContact OE1-CD2 3.17Å; E996-H1036 IonicContact OE1-CE1 3.91Å; E996-H1036 IonicContact OE1-NE2 2.61Å; E996-H1036 PolarHBondContact OE1-NE2 3.45Å |
| 997 | D | 83 | Confident | 88.5 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | 59.1 | 25.5 | 179.6 | -57.9 | -19.1 | 0 | 0 | 0 | 113.4 | V993 A995 A999 K1026 | V993-D997 VanDerWaalsContact CG1-C 3.43Å; A995-D997 PolarHBondContact O-N 3.25Å; D997-A999 PolarHBondContact O-N 3.37Å; D997-K1026 VanDerWaalsContact OD1-CE 3.27Å; D997-K1026 WeakPolarHBondContact OD1-CE 3.37Å; D997-K1026 IonicContact OD1-NZ 2.72Å; D997-K1026 PolarHBondContact OD1-NZ 3.45Å; D997-K1026 IonicContact OD2-NZ 3.31Å; D997-K1026 PolarHBondContact OD2-NZ 2.97Å |
| 998 | A | 85.8 | Confident | 88.2 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | trans | -77.8 | 106.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A994 A995 E996 F1079 | A994-A998 PolarHBondContact N-O 2.99Å; A995-A998 PolarHBondContact O-N 2.95Å; E996-A998 PolarHBondContact O-N 3.24Å; A998-F1079 HydrophobicContact CB-CD2 3.99Å; A998-F1079 HydrophobicContact CB-CE2 4Å | ||
| 999 | A | 86.9 | Confident | 87.1 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -72.6 | 129.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V993 D997 | V993-A999 HydrophobicContact CG2-CB 4.41Å; D997-A999 PolarHBondContact O-N 3.37Å |
| 1000 | F | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -114.5 | -14.9 | 173.2 | 65 | -98.1 | 0 | 0 | 0 | 112.8 | P991 S992 A994 L1046 H1076 F1079 F1080 I1090 | P991-F1000 VanDerWaalsContact C-CZ 3.44Å; P991-F1000 HydrophobicContact CB-CE2 4.12Å; P991-F1000 HydrophobicContact CB-CZ 3.72Å; P991-F1000 WeakPolarHBondContact O-CE2 3.36Å; S992-F1000 WeakPolarHBondContact O-CD1 3.25Å; S992-F1000 PolarHBondContact O-N 2.92Å; A994-F1000 HydrophobicContact CB-CD1 4.03Å; A994-F1000 HydrophobicContact CB-CE1 4.29Å; F1000-L1046 HydrophobicContact CD1-CD1 4.48Å; F1000-L1046 HydrophobicContact CD2-CD1 4.24Å; F1000-L1046 HydrophobicContact CE1-CD1 4.19Å; F1000-L1046 HydrophobicContact CE2-CD1 3.96Å; F1000-L1046 HydrophobicContact CG-CD1 4.5Å; F1000-L1046 HydrophobicContact CZ-CB 4.27Å; F1000-L1046 HydrophobicContact CZ-CD1 3.92Å; F1000-H1076 PolarHBondContact O-N 3.41Å; F1000-F1079 HydrophobicContact CB-CB 3.99Å; F1000-F1079 HydrophobicContact CB-CD1 3.3Å; F1000-F1079 HydrophobicContact CB-CD2 4.17Å; F1000-F1079 HydrophobicContact CB-CE1 3.72Å; F1000-F1079 HydrophobicContact CB-CG 3.55Å; F1000-F1079 HydrophobicContact CB-CZ 4.32Å; F1000-F1079 HydrophobicContact CD1-CE1 4.37Å; F1000-F1079 HydrophobicContact CD1-CZ 4.41Å; F1000-F1079 HydrophobicContact CG-CD1 4.29Å; F1000-F1079 HydrophobicContact CG-CE1 4.26Å; F1000-F1080 HydrophobicContact CB-CE2 3.88Å; F1000-F1080 HydrophobicContact CB-CZ 3.99Å; F1000-F1080 HydrophobicContact CD2-CE2 4.36Å; F1000-F1080 AromaticContact CD2-CZ 3.99Å; F1000-F1080 HydrophobicContact CD2-CZ 3.99Å; F1000-F1080 HydrophobicContact CG-CZ 4.28Å; F1000-I1090 HydrophobicContact CD2-CD1 4.13Å; F1000-I1090 HydrophobicContact CE2-CD1 4.05Å; F1000-I1090 HydrophobicContact CE2-CG2 4.18Å |
| 1001 | M | 90.1 | Very high | 84 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143.6 | 175.4 | -168.2 | 179.1 | -63.3 | 0 | 0 | 109.8 | F967 S992 R1073 R1074 I1090 L1117 | F967-M1001 HydrophobicContact CE1-CE 4.31Å; F967-M1001 HydrophobicContact CE1-SD 4.33Å; F967-M1001 HydrophobicContact CZ-CE 4.11Å; F967-M1001 HydrophobicContact CZ-SD 4.07Å; S992-M1001 WeakPolarHBondContact CA-O 3.4Å; S992-M1001 VanDerWaalsContact CB-O 3.28Å; S992-M1001 WeakPolarHBondContact CB-O 3.32Å; S992-M1001 PolarHBondContact O-N 3.46Å; M1001-R1073 HydrophobicContact CG-CB 4.31Å; M1001-R1073 HydrophobicContact SD-CB 4.22Å; M1001-R1074 WeakPolarHBondContact CA-O 3.26Å; M1001-I1090 HydrophobicContact CE-CB 4.43Å; M1001-I1090 HydrophobicContact CE-CD1 3.52Å; M1001-I1090 HydrophobicContact CE-CG2 3.93Å; M1001-L1117 HydrophobicContact CE-CD2 3.9Å |
| 1002 | T | 90.8 | Very high | 82.5 | Confident | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.288 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 136.7 | 174.7 | 48 | 0 | 0 | 0 | 0 | 110.7 | T1004 R1073 R1074 H1076 | T1002-T1004 PolarHBondContact O-N 3.46Å; T1002-R1073 CarbonylContact O-C 3.57Å; T1002-R1073 WeakPolarHBondContact O-CA 3.21Å; T1002-R1074 PolarHBondContact N-O 3.49Å; T1002-R1074 PolarHBondContact O-N 3.24Å; T1002-H1076 WeakPolarHBondContact CG2-NE2 3.41Å; T1002-H1076 PolarHBondContact OG1-NE2 3.4Å |
| 1003 | V | 90.6 | Very high | 81.7 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120 | 166.9 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | L990 V1006 V1018 T1054 I1071 S1072 R1073 | L990-V1003 HydrophobicContact CD1-CG2 3.47Å; L990-V1003 VanDerWaalsContact CD1-CG2 3.47Å; V1003-V1006 HydrophobicContact CG1-CG2 3.97Å; V1003-V1018 HydrophobicContact CB-CG1 4.27Å; V1003-V1018 HydrophobicContact CG1-CG1 4.22Å; V1003-V1018 HydrophobicContact CG1-CG2 4.45Å; V1003-T1054 HydrophobicContact CB-CG2 4.33Å; V1003-T1054 HydrophobicContact CG2-CG2 3.68Å; V1003-I1071 HydrophobicContact CG1-CG2 4.21Å; V1003-S1072 WeakPolarHBondContact CA-O 3.36Å; V1003-R1073 HydrophobicContact CG2-CG 4.41Å |
| 1004 | T | 88.6 | Confident | 81.5 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 36% | 0.362 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -42.5 | 179.8 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | E966 T1002 S1072 R1074 | E966-T1004 VanDerWaalsContact OE1-CB 3.32Å; E966-T1004 WeakPolarHBondContact OE1-CB 3.33Å; E966-T1004 PolarHBondContact OE1-OG1 2.95Å; T1002-T1004 PolarHBondContact O-N 3.46Å; T1004-S1072 PolarHBondContact N-O 3.13Å; T1004-S1072 VanDerWaalsContact OG1-C 3.29Å; T1004-S1072 WeakPolarHBondContact OG1-CB 3.38Å; T1004-S1072 PolarHBondContact OG1-O 2.86Å; T1004-R1074 HydrophobicContact CG2-CB 3.97Å |
| 1005 | D | 88.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 159.5 | -177.4 | -145.5 | -30.4 | 0 | 0 | 0 | 112.1 | F1007 S1072 | D1005-F1007 HydrophobicContact CB-CD2 3.99Å; D1005-F1007 HydrophobicContact CB-CE2 3.56Å; D1005-F1007 HydrophobicContact CB-CZ 4.37Å; D1005-F1007 VanDerWaalsContact CG-CZ 3.5Å; D1005-F1007 WeakPolarHBondContact OD2-CE2 3.44Å; D1005-F1007 WeakPolarHBondContact OD2-CZ 3.41Å; D1005-S1072 WeakPolarHBondContact O-CB 3.27Å; D1005-S1072 PolarHBondContact O-N 2.79Å |
| 1006 | V | 89.6 | Confident | 81.8 | Confident | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 111.1 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V1003 C1016 V1018 V1056 I1069 R1070 I1071 | V1003-V1006 HydrophobicContact CG1-CG2 3.97Å; V1006-C1016 HydrophobicContact CB-CB 4.49Å; V1006-C1016 HydrophobicContact CG1-CB 3.78Å; V1006-V1018 HydrophobicContact CB-CG2 4.43Å; V1006-V1018 HydrophobicContact CG2-CG2 3.57Å; V1006-V1056 HydrophobicContact CG1-CG1 4.22Å; V1006-V1056 HydrophobicContact CG2-CG1 4.04Å; V1006-V1056 HydrophobicContact CG2-CG2 4.33Å; V1006-I1069 HydrophobicContact CG1-CG2 4Å; V1006-R1070 WeakPolarHBondContact CA-O 3.29Å; V1006-I1071 HydrophobicContact CG1-CG1 4.34Å; V1006-I1071 HydrophobicContact CG2-CG1 4.45Å; V1006-I1071 HydrophobicContact CG2-CG2 4.41Å |
| 1007 | F | 86.1 | Confident | 82.2 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 38% | 0.382 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.4 | -178.7 | -72.7 | -80.5 | 0 | 0 | 0 | 111.7 | D1005 R1070 | D1005-F1007 HydrophobicContact CB-CD2 3.99Å; D1005-F1007 HydrophobicContact CB-CE2 3.56Å; D1005-F1007 HydrophobicContact CB-CZ 4.37Å; D1005-F1007 VanDerWaalsContact CG-CZ 3.5Å; D1005-F1007 WeakPolarHBondContact OD2-CE2 3.44Å; D1005-F1007 WeakPolarHBondContact OD2-CZ 3.41Å; F1007-R1070 HydrophobicContact CB-CB 4.45Å; F1007-R1070 PolarHBondContact N-O 3.17Å; F1007-R1070 PolarHBondContact O-N 3.41Å |
| 1008 | T | 82.8 | Confident | 82.5 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.4 | 174.4 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | I1014 I1069 | T1008-I1014 HydrophobicContact CG2-CB 4.02Å; T1008-I1014 HydrophobicContact CG2-CG2 3.78Å; T1008-I1069 HydrophobicContact CG2-CG1 4.33Å |
| 1009 | H | 69.1 | Low | 82.6 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.8 | 176.8 | -73.4 | -74.4 | 0 | 0 | 0 | 110.6 | A1011 V1068 | H1009-A1011 PolarHBondContact O-N 2.88Å; H1009-A1011 VanDerWaalsContact O-N 3.16Å; H1009-V1068 PolarHBondContact N-O 3.32Å |
| 1010 | N | 58.7 | Low | 82.5 | Confident | 172 Ų | 172 | 58 Ų | 58 | 92% | 0.92 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 54.2 | 31.9 | 173.5 | -64 | -11.9 | 0 | 0 | 0 | 114.9 | ||
| 1011 | A | 61.8 | Low | 82.2 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 21% | 0.207 | 36% | 0.356 | C | S | . | . | trans | -132.9 | 111 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1009 I1014 A1067 | H1009-A1011 PolarHBondContact O-N 2.88Å; H1009-A1011 VanDerWaalsContact O-N 3.16Å; A1011-I1014 HydrophobicContact CB-CD1 3.43Å; A1011-I1014 VanDerWaalsContact CB-CD1 3.43Å; A1011-I1014 HydrophobicContact CB-CG1 3.9Å; A1011-A1067 HydrophobicContact CB-CB 4.29Å | ||
| 1012 | T | 62.4 | Low | 81.8 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 85% | 0.853 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 136.3 | 167.1 | 45.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1013 | G | 72 | Confident | 81.3 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 19.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1061 | G1013-Q1061 WeakPolarHBondContact O-CB 3.44Å; G1013-Q1061 VanDerWaalsContact O-CG 3.27Å; G1013-Q1061 WeakPolarHBondContact O-CG 3.46Å; G1013-Q1061 PolarHBondContact O-N 2.65Å |
| 1014 | I | 85.1 | Confident | 80.9 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.4 | 166.3 | -56.9 | -175.8 | 0 | 0 | 0 | 109.1 | T1008 A1011 C1058 E1059 V1060 A1067 I1069 | T1008-I1014 HydrophobicContact CG2-CB 4.02Å; T1008-I1014 HydrophobicContact CG2-CG2 3.78Å; A1011-I1014 HydrophobicContact CB-CD1 3.43Å; A1011-I1014 VanDerWaalsContact CB-CD1 3.43Å; A1011-I1014 HydrophobicContact CB-CG1 3.9Å; I1014-C1058 HydrophobicContact CG2-CB 4.18Å; I1014-E1059 CarbonylContact C-O 3.46Å; I1014-E1059 VanDerWaalsContact CA-O 3.3Å; I1014-E1059 WeakPolarHBondContact CA-O 3.35Å; I1014-V1060 HydrophobicContact CD1-CG1 4.26Å; I1014-V1060 HydrophobicContact CD1-CG2 4.05Å; I1014-V1060 HydrophobicContact CG1-CB 4.37Å; I1014-V1060 HydrophobicContact CG1-CG1 4.13Å; I1014-V1060 HydrophobicContact CG1-CG2 4.11Å; I1014-V1060 HydrophobicContact CG2-CG2 4.23Å; I1014-A1067 HydrophobicContact CD1-CB 3.67Å; I1014-I1069 HydrophobicContact CG2-CD1 4.45Å |
| 1015 | K | 86.5 | Confident | 80.7 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118 | 174.4 | -69.8 | -176.5 | -179.8 | -179.5 | 0 | 109.3 | C1058 E1059 | K1015-C1058 CarbonylContact O-C 3.57Å; K1015-C1058 WeakPolarHBondContact O-CA 3.27Å; K1015-E1059 PolarHBondContact N-O 3.25Å; K1015-E1059 PolarHBondContact O-N 3.31Å |
| 1016 | C | 89.5 | Confident | 80.4 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 28% | 0.284 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.4 | 177.9 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | V1006 V1057 C1058 | V1006-C1016 HydrophobicContact CB-CB 4.49Å; V1006-C1016 HydrophobicContact CG1-CB 3.78Å; C1016-V1057 CarbonylContact C-O 3.54Å; C1016-V1057 VanDerWaalsContact CA-O 3.29Å; C1016-V1057 WeakPolarHBondContact CA-O 3.35Å; C1016-C1058 HydrophobicContact CB-CB 4.16Å; C1016-C1058 WeakPolarHBondContact CB-SG 3.25Å; C1016-C1058 WeakPolarHBondContact SG-CB 3.43Å; C1016-C1058 CovalentContact SG-SG 2.05Å; C1016-C1058 PolarHBondContact SG-SG 3.31Å |
| 1017 | G | 88.8 | Confident | 80 | Confident | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1056 V1057 | G1017-V1056 WeakPolarHBondContact O-CA 3.49Å; G1017-V1057 PolarHBondContact N-O 3.49Å; G1017-V1057 PolarHBondContact O-N 2.52Å |
| 1018 | V | 89.8 | Confident | 79.7 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 38% | 0.376 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.6 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | V1003 V1006 T1054 V1056 | V1003-V1018 HydrophobicContact CB-CG1 4.27Å; V1003-V1018 HydrophobicContact CG1-CG1 4.22Å; V1003-V1018 HydrophobicContact CG1-CG2 4.45Å; V1006-V1018 HydrophobicContact CB-CG2 4.43Å; V1006-V1018 HydrophobicContact CG2-CG2 3.57Å; V1018-T1054 HydrophobicContact CG1-CG2 3.56Å; V1018-V1056 HydrophobicContact CG1-CG2 4.33Å; V1018-V1056 HydrophobicContact CG2-CG2 4.21Å |
| 1019 | L | 88.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 98.8 | 172.3 | -176 | 66 | 0 | 0 | 0 | 108.8 | Q1024 L1025 T1054 E1055 | L1019-Q1024 HydrophobicContact CD1-CB 3.92Å; L1019-L1025 HydrophobicContact CD2-CD2 4.03Å; L1019-L1025 HydrophobicContact CG-CD2 3.98Å; L1019-L1025 WeakPolarHBondContact O-CD2 3.38Å; L1019-T1054 WeakPolarHBondContact O-CA 3.42Å; L1019-E1055 HydrophobicContact CB-CB 4.4Å; L1019-E1055 PolarHBondContact N-O 2.88Å; L1019-E1055 PolarHBondContact O-N 2.84Å |
| 1020 | S | 84.5 | Confident | 80.2 | Confident | 71 Ų | 71 | 75 Ų | 75 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | trans | -111 | -10.5 | -179.2 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | V1022 | S1020-V1022 PolarHBondContact O-N 3.45Š| ||
| 1021 | D | 84.2 | Confident | 81.2 | Confident | 67 Ų | 67 | 74 Ų | 74 | 36% | 0.358 | 41% | 0.405 | S | S | . | . | trans | -69.1 | 111.8 | -179 | -177.9 | -7.7 | 0 | 0 | 0 | 111.1 | T1023 Q1024 L1025 | D1021-T1023 PolarHBondContact O-N 3.39Å; D1021-T1023 VanDerWaalsContact O-N 3.15Å; D1021-T1023 WeakPolarHBondContact OD1-CB 3.27Å; D1021-T1023 PolarHBondContact OD1-N 3.46Å; D1021-T1023 PolarHBondContact OD1-OG1 2.84Å; D1021-T1023 PolarHBondContact OD2-OG1 2.85Å; D1021-Q1024 HydrophobicContact CB-CB 4.33Å; D1021-Q1024 HydrophobicContact CB-CG 4.2Å; D1021-Q1024 PolarHBondContact O-N 3.19Å; D1021-Q1024 PolarHBondContact OD2-NE2 3.27Å; D1021-L1025 WeakPolarHBondContact O-CG 3.38Å; D1021-L1025 PolarHBondContact O-N 3.38Å | ||
| 1022 | V | 80.1 | Confident | 82.2 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.2 | -32.2 | -177.2 | -179 | 0 | 0 | 0 | 0 | 112.2 | V993 S1020 Q1024 L1025 K1026 | V993-V1022 HydrophobicContact CB-CG2 4.46Å; V993-V1022 HydrophobicContact CG1-CG2 4.27Å; V993-V1022 HydrophobicContact CG2-CG2 3.94Å; S1020-V1022 PolarHBondContact O-N 3.45Å; V1022-Q1024 VanDerWaalsContact C-N 3.26Å; V1022-Q1024 PolarHBondContact O-N 2.84Å; V1022-L1025 PolarHBondContact O-N 3.49Å; V1022-K1026 HydrophobicContact CG1-CD 4.05Å; V1022-K1026 VanDerWaalsContact CG1-CE 3.49Å; V1022-K1026 HydrophobicContact CG1-CG 4.22Å; V1022-K1026 WeakPolarHBondContact O-CG 3.46Å; V1022-K1026 PolarHBondContact O-N 3.47Å; V1022-K1026 VanDerWaalsContact O-N 3.1Å |
| 1023 | T | 81.6 | Confident | 83.3 | Confident | 100 Ų | 100 | 76.6 Ų | 76.6 | 61% | 0.613 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.7 | -28.9 | 178.3 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | D1021 P1027 | D1021-T1023 PolarHBondContact O-N 3.39Å; D1021-T1023 VanDerWaalsContact O-N 3.15Å; D1021-T1023 WeakPolarHBondContact OD1-CB 3.27Å; D1021-T1023 PolarHBondContact OD1-N 3.46Å; D1021-T1023 PolarHBondContact OD1-OG1 2.84Å; D1021-T1023 PolarHBondContact OD2-OG1 2.85Å; T1023-P1027 WeakPolarHBondContact O-CD 3.4Å |
| 1024 | Q | 82.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -91.8 | -24.6 | 177.1 | -60.2 | -176.1 | 38.3 | 0 | 0 | 112.6 | L1019 D1021 V1022 R1028 | L1019-Q1024 HydrophobicContact CD1-CB 3.92Å; D1021-Q1024 HydrophobicContact CB-CB 4.33Å; D1021-Q1024 HydrophobicContact CB-CG 4.2Å; D1021-Q1024 PolarHBondContact O-N 3.19Å; D1021-Q1024 PolarHBondContact OD2-NE2 3.27Å; V1022-Q1024 VanDerWaalsContact C-N 3.26Å; V1022-Q1024 PolarHBondContact O-N 2.84Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.27Å |
| 1025 | L | 82.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.2 | -45.5 | 176.4 | -70.9 | 175.1 | 0 | 0 | 0 | 112.4 | L1019 D1021 V1022 R1028 Q1029 C1053 | L1019-L1025 HydrophobicContact CD2-CD2 4.03Å; L1019-L1025 HydrophobicContact CG-CD2 3.98Å; L1019-L1025 WeakPolarHBondContact O-CD2 3.38Å; D1021-L1025 WeakPolarHBondContact O-CG 3.38Å; D1021-L1025 PolarHBondContact O-N 3.38Å; V1022-L1025 PolarHBondContact O-N 3.49Å; L1025-R1028 PolarHBondContact O-N 3.46Å; L1025-Q1029 WeakPolarHBondContact O-CB 3.3Å; L1025-Q1029 PolarHBondContact O-N 2.87Å; L1025-C1053 VanDerWaalsContact CD2-O 3.26Å; L1025-C1053 WeakPolarHBondContact CD2-O 3.38Å |
| 1026 | K | 83.3 | Confident | 83.3 | Confident | 76 Ų | 76 | 73 Ų | 73 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.8 | -45 | -177.1 | -76.4 | 173.2 | 176.6 | 167.7 | 0 | 113.9 | D997 V1022 R1028 W1052 | D997-K1026 VanDerWaalsContact OD1-CE 3.27Å; D997-K1026 WeakPolarHBondContact OD1-CE 3.37Å; D997-K1026 IonicContact OD1-NZ 2.72Å; D997-K1026 PolarHBondContact OD1-NZ 3.45Å; D997-K1026 IonicContact OD2-NZ 3.31Å; D997-K1026 PolarHBondContact OD2-NZ 2.97Å; V1022-K1026 HydrophobicContact CG1-CD 4.05Å; V1022-K1026 VanDerWaalsContact CG1-CE 3.49Å; V1022-K1026 HydrophobicContact CG1-CG 4.22Å; V1022-K1026 WeakPolarHBondContact O-CG 3.46Å; V1022-K1026 PolarHBondContact O-N 3.47Å; V1022-K1026 VanDerWaalsContact O-N 3.1Å; K1026-R1028 VanDerWaalsContact C-N 3.35Å; K1026-R1028 PolarHBondContact O-N 2.88Å; K1026-W1052 HydrophobicContact CB-CH2 4.23Å; K1026-W1052 HydrophobicContact CB-CZ3 4.26Å; K1026-W1052 HydrophobicContact CD-CZ2 4.42Å; K1026-W1052 HydrophobicContact CG-CD2 4.07Å; K1026-W1052 HydrophobicContact CG-CE3 4.13Å; K1026-W1052 HydrophobicContact CG-CH2 3.79Å; K1026-W1052 HydrophobicContact CG-CZ2 3.71Å; K1026-W1052 HydrophobicContact CG-CZ3 3.98Å |
| 1027 | P | 81.3 | Confident | 82.5 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.2 | -28.1 | 177.3 | -20.8 | 32.9 | 0 | 0 | 0 | 114.7 | T1023 K1030 | T1023-P1027 WeakPolarHBondContact O-CD 3.4Å; P1027-K1030 VanDerWaalsContact O-CE 3.28Å; P1027-K1030 WeakPolarHBondContact O-CE 3.31Å; P1027-K1030 WeakPolarHBondContact O-CG 3.37Å |
| 1028 | R | 79.3 | Confident | 81.7 | Confident | 161 Ų | 161 | 77.5 Ų | 77.5 | 61% | 0.608 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -86.4 | -24.3 | -177.7 | -63.2 | 177 | 85.2 | 135.3 | 1.6 | 112.3 | Q1024 L1025 K1026 | Q1024-R1028 WeakPolarHBondContact O-CG 3.27Å; L1025-R1028 PolarHBondContact O-N 3.46Å; K1026-R1028 VanDerWaalsContact C-N 3.35Å; K1026-R1028 PolarHBondContact O-N 2.88Å |
| 1029 | Q | 84.4 | Confident | 81 | Confident | 26 Ų | 26 | 78.6 Ų | 78.6 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | trans | -112.7 | 51.7 | -175.3 | -70.4 | -177.4 | 6.6 | 0 | 0 | 111.8 | L1025 D1031 V1032 W1052 C1053 | L1025-Q1029 WeakPolarHBondContact O-CB 3.3Å; L1025-Q1029 PolarHBondContact O-N 2.87Å; Q1029-D1031 PolarHBondContact O-N 2.84Å; Q1029-D1031 VanDerWaalsContact O-N 3.09Å; Q1029-V1032 HydrophobicContact CB-CB 4.44Å; Q1029-V1032 HydrophobicContact CB-CG2 3.69Å; Q1029-V1032 HydrophobicContact CG-CG2 4.46Å; Q1029-V1032 WeakPolarHBondContact O-CB 3.34Å; Q1029-V1032 WeakPolarHBondContact O-CG2 3.22Å; Q1029-V1032 PolarHBondContact O-N 2.9Å; Q1029-V1032 VanDerWaalsContact O-N 3.15Å; Q1029-W1052 HydrophobicContact CB-CE3 3.97Å; Q1029-W1052 HydrophobicContact CB-CZ3 3.83Å; Q1029-W1052 VanDerWaalsContact O-CZ3 3.29Å; Q1029-W1052 WeakPolarHBondContact O-CZ3 3.41Å; Q1029-C1053 PolarHBondContact NE2-O 3.12Å | ||
| 1030 | K | 78.2 | Confident | 80.4 | Confident | 175 Ų | 175 | 77.3 Ų | 77.3 | 76% | 0.761 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.3 | -171.3 | -64.3 | -175 | -179.4 | 177.5 | 0 | 114.9 | P1027 V1032 | P1027-K1030 VanDerWaalsContact O-CE 3.28Å; P1027-K1030 WeakPolarHBondContact O-CE 3.31Å; P1027-K1030 WeakPolarHBondContact O-CG 3.37Å; K1030-V1032 VanDerWaalsContact C-N 3.32Å |
| 1031 | D | 79.6 | Confident | 79.7 | Confident | 151 Ų | 151 | 79.1 Ų | 79.1 | 81% | 0.807 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.4 | -176.5 | -59.2 | -43.5 | 0 | 0 | 0 | 113.6 | Q1029 | Q1029-D1031 PolarHBondContact O-N 2.84Å; Q1029-D1031 VanDerWaalsContact O-N 3.09Å |
| 1032 | V | 83.4 | Confident | 79.1 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | trans | -81.6 | 129.2 | -177.2 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | Q1029 K1030 P1034 C1048 S1051 W1052 | Q1029-V1032 HydrophobicContact CB-CB 4.44Å; Q1029-V1032 HydrophobicContact CB-CG2 3.69Å; Q1029-V1032 HydrophobicContact CG-CG2 4.46Å; Q1029-V1032 WeakPolarHBondContact O-CB 3.34Å; Q1029-V1032 WeakPolarHBondContact O-CG2 3.22Å; Q1029-V1032 PolarHBondContact O-N 2.9Å; Q1029-V1032 VanDerWaalsContact O-N 3.15Å; K1030-V1032 VanDerWaalsContact C-N 3.32Å; V1032-P1034 WeakPolarHBondContact O-CD 3.2Å; V1032-C1048 WeakPolarHBondContact CG2-O 3.47Å; V1032-S1051 VanDerWaalsContact CG1-O 3.27Å; V1032-S1051 WeakPolarHBondContact CG1-O 3.08Å; V1032-W1052 HydrophobicContact CB-CE3 4.02Å; V1032-W1052 HydrophobicContact CB-CH2 4.22Å; V1032-W1052 HydrophobicContact CB-CZ3 3.78Å; V1032-W1052 HydrophobicContact CG1-CD2 4.25Å; V1032-W1052 HydrophobicContact CG1-CE3 4.02Å; V1032-W1052 HydrophobicContact CG1-CZ3 4.2Å; V1032-W1052 HydrophobicContact CG2-CZ3 4.43Å | ||
| 1033 | R | 85.1 | Confident | 78.7 | Confident | 200 Ų | 200 | 85.2 Ų | 85.2 | 76% | 0.755 | 41% | 0.41 | S | S | * | . | trans | -114.5 | 89.3 | 173.5 | -62.2 | -170.3 | -175.3 | -157.2 | 1.8 | 108.7 | L1035 S1049 R1050 | R1033-L1035 PolarHBondContact O-N 3.49Å; R1033-S1049 PolarHBondContact N-O 3.16Å; R1033-R1050 WeakPolarHBondContact O-CA 3.09Å | ||
| 1034 | P | 81 | Confident | 78.5 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 26% | 0.26 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 133.4 | -172 | 27.7 | -36 | 0 | 0 | 0 | 111.2 | A995 V1032 H1036 R1050 W1052 | A995-P1034 HydrophobicContact CB-CB 4.21Å; A995-P1034 HydrophobicContact CB-CG 4.32Å; V1032-P1034 WeakPolarHBondContact O-CD 3.2Å; P1034-H1036 PolarHBondContact O-N 3.11Å; P1034-R1050 CarbonylContact C-O 3.58Å; P1034-R1050 VanDerWaalsContact CA-O 3.32Å; P1034-R1050 WeakPolarHBondContact CA-O 3.37Å; P1034-W1052 HydrophobicContact CG-CZ2 4.11Å |
| 1035 | L | 81.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 83.4 Ų | 83.4 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 129.9 | -177.9 | -173.6 | 65 | 0 | 0 | 0 | 109.5 | A995 R1033 N1039 M1040 D1043 L1046 R1050 | A995-L1035 WeakPolarHBondContact CB-O 3.17Å; A995-L1035 PolarHBondContact N-O 3.42Å; R1033-L1035 PolarHBondContact O-N 3.49Å; L1035-N1039 HydrophobicContact CD1-CB 3.81Å; L1035-M1040 HydrophobicContact CD2-CG 3.5Å; L1035-M1040 VanDerWaalsContact CD2-CG 3.5Å; L1035-M1040 HydrophobicContact CG-CG 4.17Å; L1035-D1043 HydrophobicContact CD1-CB 4.27Å; L1035-D1043 HydrophobicContact CD2-CB 3.98Å; L1035-L1046 HydrophobicContact CB-CD2 4.31Å; L1035-L1046 HydrophobicContact CD2-CD2 3.97Å; L1035-R1050 HydrophobicContact CB-CB 4.46Å; L1035-R1050 PolarHBondContact N-O 3.3Å |
| 1036 | H | 79.9 | Confident | 79 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 27% | 0.269 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 135 | 174 | -162.9 | -77 | 0 | 0 | 0 | 110 | A995 E996 P1034 E1038 N1039 | A995-H1036 HydrophobicContact CB-CB 4.45Å; E996-H1036 IonicContact OE1-CD2 3.17Å; E996-H1036 IonicContact OE1-CE1 3.91Å; E996-H1036 IonicContact OE1-NE2 2.61Å; E996-H1036 PolarHBondContact OE1-NE2 3.45Å; P1034-H1036 PolarHBondContact O-N 3.11Å; H1036-E1038 PolarHBondContact ND1-N 3.46Å; H1036-E1038 PolarHBondContact O-N 3.33Å; H1036-N1039 PolarHBondContact O-N 2.73Å |
| 1037 | P | 73.3 | Confident | 79.3 | Confident | 24 Ų | 24 | 82.1 Ų | 82.1 | 16% | 0.156 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -45.1 | -35.8 | 178.8 | -33.4 | 36.4 | 0 | 0 | 0 | 115 | N1039 F1079 V1083 | P1037-N1039 VanDerWaalsContact C-N 3.33Å; P1037-N1039 PolarHBondContact O-N 3.15Å; P1037-F1079 HydrophobicContact CG-CE2 4.11Å; P1037-V1083 HydrophobicContact CB-CG2 3.63Å; P1037-V1083 WeakPolarHBondContact O-CG1 3.27Å |
| 1038 | E | 72.6 | Confident | 79.6 | Confident | 155 Ų | 155 | 79.9 Ų | 79.9 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -71.4 | -25.5 | -179.1 | -63.2 | -173.1 | 171.3 | 0 | 0 | 114 | H1036 M1040 | H1036-E1038 PolarHBondContact ND1-N 3.46Å; H1036-E1038 PolarHBondContact O-N 3.33Å; E1038-M1040 VanDerWaalsContact C-N 3.34Å |
| 1039 | N | 74.3 | Confident | 79.9 | Confident | 86 Ų | 86 | 75 Ų | 75 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -84.9 | -6.8 | -175.9 | -67.6 | -32.6 | 0 | 0 | 0 | 113.4 | L1035 H1036 P1037 M1041 H1042 D1043 | L1035-N1039 HydrophobicContact CD1-CB 3.81Å; H1036-N1039 PolarHBondContact O-N 2.73Å; P1037-N1039 VanDerWaalsContact C-N 3.33Å; P1037-N1039 PolarHBondContact O-N 3.15Å; N1039-M1041 PolarHBondContact O-N 2.96Å; N1039-M1041 VanDerWaalsContact O-N 3.1Å; N1039-H1042 PolarHBondContact O-N 3.3Å; N1039-H1042 VanDerWaalsContact O-N 3.13Å; N1039-D1043 PolarHBondContact O-N 3.07Å |
| 1040 | M | 75 | Confident | 80 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -67 | -6.1 | 179.2 | -76.4 | -177.8 | 64.3 | 0 | 0 | 114.8 | L1035 E1038 H1042 L1046 F1079 F1080 V1083 K1084 V1088 | L1035-M1040 HydrophobicContact CD2-CG 3.5Å; L1035-M1040 VanDerWaalsContact CD2-CG 3.5Å; L1035-M1040 HydrophobicContact CG-CG 4.17Å; E1038-M1040 VanDerWaalsContact C-N 3.34Å; M1040-H1042 VanDerWaalsContact C-N 3.3Å; M1040-L1046 HydrophobicContact CE-CD1 4.02Å; M1040-F1079 HydrophobicContact CE-CE1 3.98Å; M1040-F1079 HydrophobicContact SD-CE1 3.61Å; M1040-F1079 HydrophobicContact SD-CZ 3.64Å; M1040-F1080 HydrophobicContact CE-CD1 4.41Å; M1040-F1080 HydrophobicContact CE-CE1 4.08Å; M1040-V1083 HydrophobicContact CB-CG1 3.49Å; M1040-V1083 VanDerWaalsContact CB-CG1 3.49Å; M1040-V1083 HydrophobicContact CE-CG1 4.14Å; M1040-V1083 HydrophobicContact CG-CG1 4.03Å; M1040-V1083 HydrophobicContact SD-CB 4.45Å; M1040-V1083 HydrophobicContact SD-CG1 3.64Å; M1040-V1083 HydrophobicContact SD-CG2 4.43Å; M1040-K1084 CarbonylContact C-O 3.56Å; M1040-V1088 HydrophobicContact CE-CB 4.37Å; M1040-V1088 HydrophobicContact CE-CG1 4.11Å; M1040-V1088 HydrophobicContact CE-CG2 3.62Å |
| 1041 | M | 71.5 | Confident | 80.5 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -70.5 | -25.8 | 169.2 | -78.3 | -144.7 | -54.7 | 0 | 0 | 113.4 | N1039 K1084 | N1039-M1041 PolarHBondContact O-N 2.96Å; N1039-M1041 VanDerWaalsContact O-N 3.1Å; M1041-K1084 HydrophobicContact CG-CB 3.44Å; M1041-K1084 VanDerWaalsContact CG-CB 3.44Å; M1041-K1084 WeakPolarHBondContact CG-O 3.38Å; M1041-K1084 PolarHBondContact N-O 3.1Å; M1041-K1084 HydrophobicContact SD-CB 3.69Å; M1041-K1084 HydrophobicContact SD-CD 4.09Å |
| 1042 | H | 70.8 | Confident | 81.1 | Confident | 156 Ų | 156 | 64.6 Ų | 64.6 | 72% | 0.722 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -28.2 | -173.9 | -60.2 | 91.1 | 0 | 0 | 0 | 112.6 | N1039 M1040 | N1039-H1042 PolarHBondContact O-N 3.3Å; N1039-H1042 VanDerWaalsContact O-N 3.13Å; M1040-H1042 VanDerWaalsContact C-N 3.3Å |
| 1043 | D | 72.1 | Confident | 81.5 | Confident | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | trans | -106.8 | 109.3 | 178.1 | -77.3 | -32.2 | 0 | 0 | 0 | 110.4 | L1035 N1039 I1045 R1050 | L1035-D1043 HydrophobicContact CD1-CB 4.27Å; L1035-D1043 HydrophobicContact CD2-CB 3.98Å; N1039-D1043 PolarHBondContact O-N 3.07Å; D1043-I1045 VanDerWaalsContact C-N 3.32Å; D1043-I1045 PolarHBondContact O-N 3.18Å; D1043-R1050 IonicContact OD2-NH1 3.29Å | ||
| 1044 | E | 77.3 | Confident | 81.8 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -89.7 | 12.5 | -176.8 | -58.6 | -177.1 | 165.5 | 0 | 0 | 113.2 | V1088 R1089 | E1044-V1088 CarbonylContact O-C 3.58Å; E1044-V1088 WeakPolarHBondContact O-CA 3.36Å; E1044-R1089 PolarHBondContact O-N 2.92Å | ||
| 1045 | I | 86.2 | Confident | 82.3 | Confident | 58 Ų | 58 | 53 Ų | 53 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126 | -174.3 | -57.8 | 176 | 0 | 0 | 0 | 111.6 | D1043 N1047 R1089 I1091 | D1043-I1045 VanDerWaalsContact C-N 3.32Å; D1043-I1045 PolarHBondContact O-N 3.18Å; I1045-N1047 HydrophobicContact CG2-CB 4.36Å; I1045-R1089 CarbonylContact C-O 3.47Å; I1045-R1089 WeakPolarHBondContact CA-O 3.29Å; I1045-I1091 HydrophobicContact CG2-CD1 3.59Å; I1045-I1091 HydrophobicContact CG2-CG1 4.02Å |
| 1046 | L | 88.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 109.3 | 169 | -68.7 | 174.4 | 0 | 0 | 0 | 109.4 | F1000 L1035 M1040 V1088 R1089 I1090 I1091 | F1000-L1046 HydrophobicContact CD1-CD1 4.48Å; F1000-L1046 HydrophobicContact CD2-CD1 4.24Å; F1000-L1046 HydrophobicContact CE1-CD1 4.19Å; F1000-L1046 HydrophobicContact CE2-CD1 3.96Å; F1000-L1046 HydrophobicContact CG-CD1 4.5Å; F1000-L1046 HydrophobicContact CZ-CB 4.27Å; F1000-L1046 HydrophobicContact CZ-CD1 3.92Å; L1035-L1046 HydrophobicContact CB-CD2 4.31Å; L1035-L1046 HydrophobicContact CD2-CD2 3.97Å; M1040-L1046 HydrophobicContact CE-CD1 4.02Å; L1046-V1088 HydrophobicContact CB-CG1 4.47Å; L1046-V1088 HydrophobicContact CD1-CG1 3.76Å; L1046-V1088 HydrophobicContact CG-CG1 3.82Å; L1046-R1089 PolarHBondContact N-O 2.94Å; L1046-I1090 HydrophobicContact CB-CG1 4.31Å; L1046-I1090 HydrophobicContact CD1-CG1 4.34Å; L1046-I1090 CarbonylContact O-C 3.49Å; L1046-I1090 WeakPolarHBondContact O-CA 3.34Å; L1046-I1091 PolarHBondContact O-N 3.02Å |
| 1047 | N | 90 | Very high | 83.4 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | trans | -132.8 | -178 | 175.9 | 67.3 | 6.8 | 0 | 0 | 0 | 110.1 | I1045 S1049 R1050 S1051 I1091 | I1045-N1047 HydrophobicContact CG2-CB 4.36Å; N1047-S1049 PolarHBondContact O-N 2.84Å; N1047-S1049 VanDerWaalsContact O-N 3.12Å; N1047-S1049 PolarHBondContact OD1-N 2.75Å; N1047-S1049 VanDerWaalsContact OD1-N 3.12Å; N1047-S1049 PolarHBondContact OD1-OG 3.26Å; N1047-R1050 CarbonylContact O-C 3.56Å; N1047-R1050 PolarHBondContact O-N 2.76Å; N1047-R1050 PolarHBondContact OD1-N 3.06Å; N1047-S1051 PolarHBondContact O-N 2.86Å; N1047-S1051 PolarHBondContact O-OG 3.36Å; N1047-I1091 HydrophobicContact CB-CB 4.17Å | ||
| 1048 | C | 87.5 | Confident | 84.2 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 21% | 0.209 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 7.8 | -177.7 | -55.3 | 0 | 0 | 0 | 0 | 115.4 | L989 V1032 C1053 | L989-C1048 HydrophobicContact CB-CB 4.43Å; L989-C1048 WeakPolarHBondContact CB-SG 3.37Å; V1032-C1048 WeakPolarHBondContact CG2-O 3.47Å; C1048-C1053 WeakPolarHBondContact CA-SG 3.44Å; C1048-C1053 HydrophobicContact CB-CB 3.86Å; C1048-C1053 WeakPolarHBondContact CB-SG 3.36Å; C1048-C1053 WeakPolarHBondContact SG-CB 3.41Å; C1048-C1053 CovalentContact SG-SG 2.01Å; C1048-C1053 PolarHBondContact SG-SG 2.88Å |
| 1049 | S | 87.1 | Confident | 85 | Confident | 58 Ų | 58 | 48.2 Ų | 48.2 | 41% | 0.406 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -18.8 | 163.4 | 66 | 0 | 0 | 0 | 0 | 112.4 | R1033 N1047 | R1033-S1049 PolarHBondContact N-O 3.16Å; N1047-S1049 PolarHBondContact O-N 2.84Å; N1047-S1049 VanDerWaalsContact O-N 3.12Å; N1047-S1049 PolarHBondContact OD1-N 2.75Å; N1047-S1049 VanDerWaalsContact OD1-N 3.12Å; N1047-S1049 PolarHBondContact OD1-OG 3.26Å |
| 1050 | R | 86.3 | Confident | 85.6 | Confident | 108 Ų | 108 | 44.2 Ų | 44.2 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 6.1 | -176 | -62.6 | -61.6 | -170.3 | 135 | 9.1 | 114.1 | R1033 P1034 L1035 D1043 N1047 | R1033-R1050 WeakPolarHBondContact O-CA 3.09Å; P1034-R1050 CarbonylContact C-O 3.58Å; P1034-R1050 VanDerWaalsContact CA-O 3.32Å; P1034-R1050 WeakPolarHBondContact CA-O 3.37Å; L1035-R1050 HydrophobicContact CB-CB 4.46Å; L1035-R1050 PolarHBondContact N-O 3.3Å; D1043-R1050 IonicContact OD2-NH1 3.29Å; N1047-R1050 CarbonylContact O-C 3.56Å; N1047-R1050 PolarHBondContact O-N 2.76Å; N1047-R1050 PolarHBondContact OD1-N 3.06Å |
| 1051 | S | 88.6 | Confident | 86 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -158.6 | 153.4 | 176.4 | 59 | 0 | 0 | 0 | 0 | 109.7 | P991 V993 V1032 N1047 C1053 | P991-S1051 WeakPolarHBondContact CB-OG 3.28Å; V993-S1051 CarbonylContact O-C 3.16Å; V993-S1051 WeakPolarHBondContact O-CA 3.32Å; V993-S1051 WeakPolarHBondContact O-CB 3.35Å; V1032-S1051 VanDerWaalsContact CG1-O 3.27Å; V1032-S1051 WeakPolarHBondContact CG1-O 3.08Å; N1047-S1051 PolarHBondContact O-N 2.86Å; N1047-S1051 PolarHBondContact O-OG 3.36Å; S1051-C1053 PolarHBondContact O-N 3.1Å |
| 1052 | W | 90.9 | Very high | 86.5 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126 | 170.7 | -54 | 107.2 | 0 | 0 | 0 | 108.7 | S992 V993 K1026 Q1029 V1032 P1034 | S992-W1052 PolarHBondContact N-O 2.87Å; V993-W1052 HydrophobicContact CB-CB 4.17Å; V993-W1052 PolarHBondContact N-O 2.93Å; V993-W1052 VanDerWaalsContact N-O 3.1Å; V993-W1052 PolarHBondContact O-N 2.99Å; K1026-W1052 HydrophobicContact CB-CH2 4.23Å; K1026-W1052 HydrophobicContact CB-CZ3 4.26Å; K1026-W1052 HydrophobicContact CD-CZ2 4.42Å; K1026-W1052 HydrophobicContact CG-CD2 4.07Å; K1026-W1052 HydrophobicContact CG-CE3 4.13Å; K1026-W1052 HydrophobicContact CG-CH2 3.79Å; K1026-W1052 HydrophobicContact CG-CZ2 3.71Å; K1026-W1052 HydrophobicContact CG-CZ3 3.98Å; Q1029-W1052 HydrophobicContact CB-CE3 3.97Å; Q1029-W1052 HydrophobicContact CB-CZ3 3.83Å; Q1029-W1052 VanDerWaalsContact O-CZ3 3.29Å; Q1029-W1052 WeakPolarHBondContact O-CZ3 3.41Å; V1032-W1052 HydrophobicContact CB-CE3 4.02Å; V1032-W1052 HydrophobicContact CB-CH2 4.22Å; V1032-W1052 HydrophobicContact CB-CZ3 3.78Å; V1032-W1052 HydrophobicContact CG1-CD2 4.25Å; V1032-W1052 HydrophobicContact CG1-CE3 4.02Å; V1032-W1052 HydrophobicContact CG1-CZ3 4.2Å; V1032-W1052 HydrophobicContact CG2-CZ3 4.43Å; P1034-W1052 HydrophobicContact CG-CZ2 4.11Å |
| 1053 | C | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.6 | -177.4 | -78.3 | 0 | 0 | 0 | 0 | 110.7 | L989 L990 P991 L1025 Q1029 C1048 S1051 E1055 | L989-C1053 HydrophobicContact CB-CB 4.3Å; L990-C1053 VanDerWaalsContact C-SG 3.55Å; L990-C1053 CarbonylContact O-C 3.58Å; L990-C1053 VanDerWaalsContact O-CA 3.22Å; L990-C1053 WeakPolarHBondContact O-CA 3.47Å; P991-C1053 WeakPolarHBondContact CA-SG 3.32Å; L1025-C1053 VanDerWaalsContact CD2-O 3.26Å; L1025-C1053 WeakPolarHBondContact CD2-O 3.38Å; Q1029-C1053 PolarHBondContact NE2-O 3.12Å; C1048-C1053 WeakPolarHBondContact CA-SG 3.44Å; C1048-C1053 HydrophobicContact CB-CB 3.86Å; C1048-C1053 WeakPolarHBondContact CB-SG 3.36Å; C1048-C1053 WeakPolarHBondContact SG-CB 3.41Å; C1048-C1053 CovalentContact SG-SG 2.01Å; C1048-C1053 PolarHBondContact SG-SG 2.88Å; S1051-C1053 PolarHBondContact O-N 3.1Å; C1053-E1055 PolarHBondContact O-N 3.24Å |
| 1054 | T | 92.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128.7 | 162 | -61.3 | 0 | 0 | 0 | 0 | 107.6 | L990 S992 V1003 V1018 L1019 | L990-T1054 WeakPolarHBondContact CB-O 3.31Å; L990-T1054 PolarHBondContact N-O 3.39Å; L990-T1054 PolarHBondContact O-N 2.95Å; S992-T1054 VanDerWaalsContact CB-OG1 3.25Å; S992-T1054 WeakPolarHBondContact CB-OG1 3.33Å; S992-T1054 VanDerWaalsContact OG-CB 3.32Å; S992-T1054 WeakPolarHBondContact OG-CB 3.31Å; S992-T1054 PolarHBondContact OG-OG1 3.44Å; V1003-T1054 HydrophobicContact CB-CG2 4.33Å; V1003-T1054 HydrophobicContact CG2-CG2 3.68Å; V1018-T1054 HydrophobicContact CG1-CG2 3.56Å; L1019-T1054 WeakPolarHBondContact O-CA 3.42Å |
| 1055 | E | 91.7 | Very high | 86.9 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.8 | -178.6 | 179.7 | 169.6 | -137 | 0 | 0 | 109.3 | R987 L989 L1019 C1053 V1057 | R987-E1055 WeakPolarHBondContact CD-OE1 3.44Å; R987-E1055 HydrophobicContact CG-CG 4.43Å; R987-E1055 IonicContact CZ-OE1 3.61Å; R987-E1055 VanDerWaalsContact CZ-OE1 3.29Å; R987-E1055 IonicContact NE-OE1 3.77Å; R987-E1055 PolarHBondContact NE-OE1 3.27Å; R987-E1055 IonicContact NH1-OE1 3.59Å; R987-E1055 PolarHBondContact NH1-OE1 2.84Å; R987-E1055 IonicContact NH1-OE2 2.82Å; L989-E1055 HydrophobicContact CD2-CB 4.29Å; L989-E1055 HydrophobicContact CD2-CG 4.07Å; L1019-E1055 HydrophobicContact CB-CB 4.4Å; L1019-E1055 PolarHBondContact N-O 2.88Å; L1019-E1055 PolarHBondContact O-N 2.84Å; C1053-E1055 PolarHBondContact O-N 3.24Å; E1055-V1057 HydrophobicContact CG-CG2 3.73Å |
| 1056 | V | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 115.2 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | V988 L990 V1006 G1017 V1018 I1071 | V988-V1056 HydrophobicContact CB-CB 4.25Å; V988-V1056 PolarHBondContact N-O 2.75Å; V988-V1056 PolarHBondContact O-N 3.45Å; L990-V1056 HydrophobicContact CD1-CG2 3.58Å; V1006-V1056 HydrophobicContact CG1-CG1 4.22Å; V1006-V1056 HydrophobicContact CG2-CG1 4.04Å; V1006-V1056 HydrophobicContact CG2-CG2 4.33Å; G1017-V1056 WeakPolarHBondContact O-CA 3.49Å; V1018-V1056 HydrophobicContact CG1-CG2 4.33Å; V1018-V1056 HydrophobicContact CG2-CG2 4.21Å; V1056-I1071 HydrophobicContact CG1-CD1 4.46Å |
| 1057 | V | 91.4 | Very high | 86.7 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117 | 176.8 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | E985 C1016 G1017 E1055 | E985-V1057 HydrophobicContact CG-CG1 3.73Å; C1016-V1057 CarbonylContact C-O 3.54Å; C1016-V1057 VanDerWaalsContact CA-O 3.29Å; C1016-V1057 WeakPolarHBondContact CA-O 3.35Å; G1017-V1057 PolarHBondContact N-O 3.49Å; G1017-V1057 PolarHBondContact O-N 2.52Å; E1055-V1057 HydrophobicContact CG-CG2 3.73Å |
| 1058 | C | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.1 | 175.6 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | L986 I1014 K1015 C1016 I1069 | L986-C1058 HydrophobicContact CB-CB 4.3Å; L986-C1058 PolarHBondContact N-O 3.44Å; L986-C1058 PolarHBondContact O-N 3.37Å; I1014-C1058 HydrophobicContact CG2-CB 4.18Å; K1015-C1058 CarbonylContact O-C 3.57Å; K1015-C1058 WeakPolarHBondContact O-CA 3.27Å; C1016-C1058 HydrophobicContact CB-CB 4.16Å; C1016-C1058 WeakPolarHBondContact CB-SG 3.25Å; C1016-C1058 WeakPolarHBondContact SG-CB 3.43Å; C1016-C1058 CovalentContact SG-SG 2.05Å; C1016-C1058 PolarHBondContact SG-SG 3.31Å; C1058-I1069 HydrophobicContact CB-CD1 3.94Å |
| 1059 | E | 89.2 | Confident | 86.8 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 52% | 0.523 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115.7 | 170.2 | -66.9 | 179.6 | -177.7 | 0 | 0 | 108.7 | I1014 K1015 | I1014-E1059 CarbonylContact C-O 3.46Å; I1014-E1059 VanDerWaalsContact CA-O 3.3Å; I1014-E1059 WeakPolarHBondContact CA-O 3.35Å; K1015-E1059 PolarHBondContact N-O 3.25Å; K1015-E1059 PolarHBondContact O-N 3.31Å |
| 1060 | V | 86.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 101.3 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | L973 N983 L984 I1014 Q1062 L1063 | L973-V1060 HydrophobicContact CD1-CG2 3.92Å; N983-V1060 PolarHBondContact N-O 3.17Å; L984-V1060 HydrophobicContact CB-CB 4.13Å; L984-V1060 PolarHBondContact N-O 3.4Å; L984-V1060 PolarHBondContact O-N 2.95Å; I1014-V1060 HydrophobicContact CD1-CG1 4.26Å; I1014-V1060 HydrophobicContact CD1-CG2 4.05Å; I1014-V1060 HydrophobicContact CG1-CB 4.37Å; I1014-V1060 HydrophobicContact CG1-CG1 4.13Å; I1014-V1060 HydrophobicContact CG1-CG2 4.11Å; I1014-V1060 HydrophobicContact CG2-CG2 4.23Å; V1060-Q1062 VanDerWaalsContact C-N 3.32Å; V1060-Q1062 PolarHBondContact O-N 3.42Å; V1060-L1063 HydrophobicContact CG1-CB 4.18Å |
| 1061 | Q | 83.4 | Confident | 87.4 | Confident | 99 Ų | 99 | 39.9 Ų | 39.9 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -41.4 | -179.3 | -68.1 | -176.1 | -24.9 | 0 | 0 | 111.2 | S982 N983 G1013 | S982-Q1061 WeakPolarHBondContact CA-O 3.44Å; S982-Q1061 WeakPolarHBondContact CB-O 3.15Å; N983-Q1061 PolarHBondContact N-O 3.1Å; N983-Q1061 VanDerWaalsContact N-O 3.1Å; G1013-Q1061 WeakPolarHBondContact O-CB 3.44Å; G1013-Q1061 VanDerWaalsContact O-CG 3.27Å; G1013-Q1061 WeakPolarHBondContact O-CG 3.46Å; G1013-Q1061 PolarHBondContact O-N 2.65Å |
| 1062 | Q | 81.4 | Confident | 87.6 | Confident | 130 Ų | 130 | 40 Ų | 40 | 61% | 0.607 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 127.2 | 177.7 | -171.2 | 173.7 | -4.1 | 0 | 0 | 111 | V1060 | V1060-Q1062 VanDerWaalsContact C-N 3.32Å; V1060-Q1062 PolarHBondContact O-N 3.42Å |
| 1063 | L | 78.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.6 | 173.3 | -173.2 | 67.4 | 0 | 0 | 0 | 109.5 | L940 L973 N975 V981 L984 V1060 A1067 | L940-L1063 HydrophobicContact CD2-CD2 3.99Å; L973-L1063 HydrophobicContact CB-CD1 3.9Å; L973-L1063 HydrophobicContact CB-CD2 4.19Å; N975-L1063 HydrophobicContact CB-CD2 4.22Å; N975-L1063 HydrophobicContact CB-CG 4.49Å; V981-L1063 PolarHBondContact O-N 3.36Å; L984-L1063 HydrophobicContact CD1-CB 4.04Å; L984-L1063 HydrophobicContact CD1-CD2 3.93Å; V1060-L1063 HydrophobicContact CG1-CB 4.18Å; L1063-A1067 HydrophobicContact CD1-CB 3.68Å |
| 1064 | G | 72.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 43.1 Ų | 43.1 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | trans | -74.3 | -107.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N975 | N975-G1064 PolarHBondContact ND2-O 2.64Š| ||
| 1065 | Q | 77.4 | Confident | 87.5 | Confident | 160 Ų | 160 | 42.9 Ų | 42.9 | 75% | 0.748 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -94.5 | -47.8 | 171.6 | -82.2 | -178.4 | -14.4 | 0 | 0 | 112.2 | N975 | N975-Q1065 PolarHBondContact N-O 3.16Š|
| 1066 | Q | 84.6 | Confident | 87.4 | Confident | 126 Ų | 126 | 43.8 Ų | 43.8 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.5 | -179.9 | 63.4 | 179.9 | -13.8 | 0 | 0 | 111.8 | L973 L974 | L973-Q1066 CarbonylContact O-C 3.57Å; L973-Q1066 WeakPolarHBondContact O-CA 3.39Å; L974-Q1066 HydrophobicContact CD1-CB 4.17Å |
| 1067 | A | 86.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | R972 L973 A1011 I1014 L1063 | R972-A1067 WeakPolarHBondContact CA-O 3.26Å; L973-A1067 HydrophobicContact CB-CB 4.42Å; L973-A1067 PolarHBondContact N-O 3.07Å; L973-A1067 PolarHBondContact O-N 3.36Å; A1011-A1067 HydrophobicContact CB-CB 4.29Å; I1014-A1067 HydrophobicContact CD1-CB 3.67Å; L1063-A1067 HydrophobicContact CD1-CB 3.68Å |
| 1068 | V | 88.7 | Confident | 86.8 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.6 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | Y970 I971 R972 H1009 | Y970-V1068 HydrophobicContact CD1-CG1 3.95Å; I971-V1068 WeakPolarHBondContact O-CA 3.44Å; R972-V1068 HydrophobicContact CG-CG1 4.26Å; R972-V1068 HydrophobicContact CG-CG2 4.06Å; H1009-V1068 PolarHBondContact N-O 3.32Å |
| 1069 | I | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.8 | 177.6 | -62.1 | 159.9 | 0 | 0 | 0 | 107.6 | Y970 I971 L973 L986 V1006 T1008 I1014 C1058 I1071 | Y970-I1069 CarbonylContact C-O 3.5Å; Y970-I1069 WeakPolarHBondContact CA-O 3.44Å; I971-I1069 PolarHBondContact N-O 3.37Å; I971-I1069 PolarHBondContact O-N 2.98Å; L973-I1069 HydrophobicContact CD1-CD1 4.31Å; L986-I1069 HydrophobicContact CD2-CD1 3.46Å; L986-I1069 VanDerWaalsContact CD2-CD1 3.46Å; V1006-I1069 HydrophobicContact CG1-CG2 4Å; T1008-I1069 HydrophobicContact CG2-CG1 4.33Å; I1014-I1069 HydrophobicContact CG2-CD1 4.45Å; C1058-I1069 HydrophobicContact CB-CD1 3.94Å; I1069-I1071 HydrophobicContact CG2-CG1 4.26Å |
| 1070 | R | 92.5 | Very high | 86.5 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.9 | 178.1 | -175.1 | -177.3 | 74.5 | 170 | 1.1 | 109.5 | Y968 T969 Y970 V1006 F1007 | Y968-R1070 HydrophobicContact CD1-CG 4.35Å; Y968-R1070 HydrophobicContact CG-CG 4.48Å; T969-R1070 WeakPolarHBondContact O-CA 3.44Å; Y970-R1070 HydrophobicContact CD1-CB 3.92Å; Y970-R1070 HydrophobicContact CD1-CG 3.95Å; Y970-R1070 HydrophobicContact CE1-CB 3.88Å; Y970-R1070 VanDerWaalsContact CE1-CD 3.47Å; Y970-R1070 HydrophobicContact CE1-CG 3.57Å; V1006-R1070 WeakPolarHBondContact CA-O 3.29Å; F1007-R1070 HydrophobicContact CB-CB 4.45Å; F1007-R1070 PolarHBondContact N-O 3.17Å; F1007-R1070 PolarHBondContact O-N 3.41Å |
| 1071 | I | 93.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.6 | 176 | -58.2 | 173.3 | 0 | 0 | 0 | 108.1 | Y968 T969 I971 V988 L990 V1003 V1006 V1056 I1069 R1073 | Y968-I1071 WeakPolarHBondContact CA-O 3.03Å; T969-I1071 PolarHBondContact N-O 3.39Å; T969-I1071 PolarHBondContact O-N 3.1Å; I971-I1071 HydrophobicContact CD1-CD1 4Å; V988-I1071 HydrophobicContact CB-CD1 4.19Å; V988-I1071 HydrophobicContact CG1-CD1 3.95Å; V988-I1071 HydrophobicContact CG2-CD1 4.09Å; L990-I1071 HydrophobicContact CD1-CG2 3.76Å; V1003-I1071 HydrophobicContact CG1-CG2 4.21Å; V1006-I1071 HydrophobicContact CG1-CG1 4.34Å; V1006-I1071 HydrophobicContact CG2-CG1 4.45Å; V1006-I1071 HydrophobicContact CG2-CG2 4.41Å; V1056-I1071 HydrophobicContact CG1-CD1 4.46Å; I1069-I1071 HydrophobicContact CG2-CG1 4.26Å; I1071-R1073 HydrophobicContact CG2-CG 3.97Å |
| 1072 | S | 92.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.4 | 177.4 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | F967 Y968 V1003 T1004 D1005 | F967-S1072 WeakPolarHBondContact O-CA 3.34Å; Y968-S1072 WeakPolarHBondContact CD1-OG 3.33Å; Y968-S1072 WeakPolarHBondContact CE1-OG 3.47Å; V1003-S1072 WeakPolarHBondContact CA-O 3.36Å; T1004-S1072 PolarHBondContact N-O 3.13Å; T1004-S1072 VanDerWaalsContact OG1-C 3.29Å; T1004-S1072 WeakPolarHBondContact OG1-CB 3.38Å; T1004-S1072 PolarHBondContact OG1-O 2.86Å; D1005-S1072 WeakPolarHBondContact O-CB 3.27Å; D1005-S1072 PolarHBondContact O-N 2.79Å |
| 1073 | R | 92.6 | Very high | 86 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.4 | -175.7 | -61.3 | -173.8 | -73.1 | 177.7 | -12.8 | 110.3 | E966 F967 T969 M1001 T1002 V1003 I1071 S1092 | E966-R1073 CarbonylContact C-O 3.49Å; E966-R1073 WeakPolarHBondContact CA-O 3.31Å; F967-R1073 HydrophobicContact CD1-CB 4.15Å; F967-R1073 VanDerWaalsContact CD1-O 3.26Å; F967-R1073 WeakPolarHBondContact CD1-O 3.44Å; F967-R1073 HydrophobicContact CE1-CB 3.63Å; F967-R1073 HydrophobicContact CE2-CB 4.39Å; F967-R1073 HydrophobicContact CZ-CB 3.77Å; F967-R1073 PolarHBondContact N-O 3.27Å; F967-R1073 PolarHBondContact O-N 3.24Å; T969-R1073 PolarHBondContact OG1-NH2 3.34Å; M1001-R1073 HydrophobicContact CG-CB 4.31Å; M1001-R1073 HydrophobicContact SD-CB 4.22Å; T1002-R1073 CarbonylContact O-C 3.57Å; T1002-R1073 WeakPolarHBondContact O-CA 3.21Å; V1003-R1073 HydrophobicContact CG2-CG 4.41Å; I1071-R1073 HydrophobicContact CG2-CG 3.97Å; R1073-S1092 PolarHBondContact NH1-OG 3.05Å |
| 1074 | R | 90.8 | Very high | 86 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.1 | 175.1 | -163.4 | 170.7 | -70 | 179.6 | -4.2 | 110.5 | G964 E966 M1001 T1002 T1004 | G964-R1074 VanDerWaalsContact O-CG 3.29Å; G964-R1074 WeakPolarHBondContact O-CG 3.3Å; E966-R1074 IonicContact OE2-CZ 3.81Å; E966-R1074 IonicContact OE2-NE 3.22Å; E966-R1074 IonicContact OE2-NH2 3.65Å; E966-R1074 PolarHBondContact OE2-NH2 3.07Å; M1001-R1074 WeakPolarHBondContact CA-O 3.26Å; T1002-R1074 PolarHBondContact N-O 3.49Å; T1002-R1074 PolarHBondContact O-N 3.24Å; T1004-R1074 HydrophobicContact CG2-CB 3.97Å |
| 1075 | V | 89.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 140.3 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | Y951 G964 P965 F967 F1080 L1117 | Y951-V1075 HydrophobicContact CD1-CG1 4.21Å; Y951-V1075 HydrophobicContact CE1-CG1 4.25Å; G964-V1075 WeakPolarHBondContact CA-O 3.07Å; G964-V1075 PolarHBondContact N-O 3.2Å; P965-V1075 PolarHBondContact O-N 2.98Å; F967-V1075 HydrophobicContact CD1-CG2 4.18Å; F967-V1075 HydrophobicContact CE1-CG2 3.81Å; V1075-F1080 HydrophobicContact CG1-CD2 3.93Å; V1075-F1080 HydrophobicContact CG1-CE2 3.73Å; V1075-L1117 HydrophobicContact CG2-CD2 4.13Å |
| 1076 | H | 89.8 | Confident | 86.7 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | trans | -99.7 | 98.5 | 176.9 | -71.7 | -147.4 | 0 | 0 | 0 | 109.5 | M963 F1000 T1002 D1078 F1079 F1080 | M963-H1076 VanDerWaalsContact CE-CE1 3.5Å; M963-H1076 WeakPolarHBondContact CE-CE1 3.47Å; M963-H1076 VanDerWaalsContact SD-CD2 3.56Å; M963-H1076 PolarHBondContact SD-NE2 3.2Å; M963-H1076 VanDerWaalsContact SD-NE2 3.44Å; F1000-H1076 PolarHBondContact O-N 3.41Å; T1002-H1076 WeakPolarHBondContact CG2-NE2 3.41Å; T1002-H1076 PolarHBondContact OG1-NE2 3.4Å; H1076-D1078 PolarHBondContact O-N 2.97Å; H1076-F1079 PolarHBondContact O-N 3.28Å; H1076-F1080 WeakPolarHBondContact O-CD2 3.28Å | ||
| 1077 | D | 86.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.5 | -36.7 | -178.4 | -87.9 | 21.3 | 0 | 0 | 0 | 112.5 | Y951 V953 A962 G964 F1079 F1080 R1081 | Y951-D1077 WeakPolarHBondContact CE1-OD1 2.86Å; Y951-D1077 PolarHBondContact OH-OD1 3.35Å; Y951-D1077 PolarHBondContact OH-OD2 3.28Å; V953-D1077 HydrophobicContact CG1-CB 4.34Å; A962-D1077 PolarHBondContact O-N 2.85Å; G964-D1077 VanDerWaalsContact CA-OD1 3.31Å; G964-D1077 WeakPolarHBondContact CA-OD1 3.45Å; D1077-F1079 VanDerWaalsContact C-N 3.28Å; D1077-F1079 PolarHBondContact O-N 3.24Å; D1077-F1080 CarbonylContact O-C 3.47Å; D1077-F1080 PolarHBondContact O-N 3.18Å; D1077-F1080 VanDerWaalsContact O-N 3.1Å; D1077-R1081 VanDerWaalsContact O-CG 3.32Å; D1077-R1081 WeakPolarHBondContact O-CG 3.23Å; D1077-R1081 PolarHBondContact O-N 2.99Å; D1077-R1081 IonicContact OD2-CZ 3.84Å; D1077-R1081 IonicContact OD2-NH2 2.71Å; D1077-R1081 PolarHBondContact OD2-NH2 3.27Å |
| 1078 | D | 84.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.2 | -36.3 | -177.4 | -76.5 | -5 | 0 | 0 | 0 | 113.8 | A962 H1076 R1081 K1082 | A962-D1078 WeakPolarHBondContact CA-OD1 3.3Å; A962-D1078 WeakPolarHBondContact CB-OD2 3.47Å; A962-D1078 PolarHBondContact O-N 3.07Å; H1076-D1078 PolarHBondContact O-N 2.97Å; D1078-R1081 IonicContact OD1-NH1 2.63Å; D1078-R1081 PolarHBondContact OD1-NH1 3.5Å; D1078-K1082 WeakPolarHBondContact O-CG 3.3Å; D1078-K1082 PolarHBondContact O-N 3.31Å |
| 1079 | F | 87 | Confident | 87 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -52.9 | 173.9 | 175.8 | -94.3 | 0 | 0 | 0 | 110.1 | A994 A998 F1000 P1037 M1040 H1076 D1077 R1081 K1082 V1083 | A994-F1079 HydrophobicContact CB-CE2 3.63Å; A994-F1079 HydrophobicContact CB-CZ 3.65Å; A998-F1079 HydrophobicContact CB-CD2 3.99Å; A998-F1079 HydrophobicContact CB-CE2 4Å; F1000-F1079 HydrophobicContact CB-CB 3.99Å; F1000-F1079 HydrophobicContact CB-CD1 3.3Å; F1000-F1079 HydrophobicContact CB-CD2 4.17Å; F1000-F1079 HydrophobicContact CB-CE1 3.72Å; F1000-F1079 HydrophobicContact CB-CG 3.55Å; F1000-F1079 HydrophobicContact CB-CZ 4.32Å; F1000-F1079 HydrophobicContact CD1-CE1 4.37Å; F1000-F1079 HydrophobicContact CD1-CZ 4.41Å; F1000-F1079 HydrophobicContact CG-CD1 4.29Å; F1000-F1079 HydrophobicContact CG-CE1 4.26Å; P1037-F1079 HydrophobicContact CG-CE2 4.11Å; M1040-F1079 HydrophobicContact CE-CE1 3.98Å; M1040-F1079 HydrophobicContact SD-CE1 3.61Å; M1040-F1079 HydrophobicContact SD-CZ 3.64Å; H1076-F1079 PolarHBondContact O-N 3.28Å; D1077-F1079 VanDerWaalsContact C-N 3.28Å; D1077-F1079 PolarHBondContact O-N 3.24Å; F1079-R1081 VanDerWaalsContact C-N 3.34Å; F1079-R1081 PolarHBondContact O-N 3.26Å; F1079-K1082 PolarHBondContact O-N 3.26Å; F1079-V1083 HydrophobicContact CE1-CG2 4.32Å; F1079-V1083 HydrophobicContact CE2-CG2 4.43Å; F1079-V1083 HydrophobicContact CZ-CG2 4.23Å; F1079-V1083 WeakPolarHBondContact O-CG2 3.18Å; F1079-V1083 PolarHBondContact O-N 3.26Å |
| 1080 | F | 86.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.7 | -27.5 | -176.4 | -70.5 | -70.3 | 0 | 0 | 0 | 113.3 | V953 F1000 M1040 V1075 H1076 D1077 Y1085 I1090 V1119 | V953-F1080 HydrophobicContact CB-CB 4.46Å; V953-F1080 HydrophobicContact CG1-CB 4.23Å; V953-F1080 HydrophobicContact CG2-CB 3.88Å; V953-F1080 HydrophobicContact CG2-CG 4.39Å; F1000-F1080 HydrophobicContact CB-CE2 3.88Å; F1000-F1080 HydrophobicContact CB-CZ 3.99Å; F1000-F1080 HydrophobicContact CD2-CE2 4.36Å; F1000-F1080 AromaticContact CD2-CZ 3.99Å; F1000-F1080 HydrophobicContact CD2-CZ 3.99Å; F1000-F1080 HydrophobicContact CG-CZ 4.28Å; M1040-F1080 HydrophobicContact CE-CD1 4.41Å; M1040-F1080 HydrophobicContact CE-CE1 4.08Å; V1075-F1080 HydrophobicContact CG1-CD2 3.93Å; V1075-F1080 HydrophobicContact CG1-CE2 3.73Å; H1076-F1080 WeakPolarHBondContact O-CD2 3.28Å; D1077-F1080 CarbonylContact O-C 3.47Å; D1077-F1080 PolarHBondContact O-N 3.18Å; D1077-F1080 VanDerWaalsContact O-N 3.1Å; F1080-Y1085 HydrophobicContact CB-CE1 3.83Å; F1080-Y1085 WeakPolarHBondContact CB-OH 3.31Å; F1080-Y1085 HydrophobicContact CD1-CD1 4.46Å; F1080-Y1085 AromaticContact CD1-CE1 3.69Å; F1080-Y1085 HydrophobicContact CD1-CE1 3.69Å; F1080-Y1085 AromaticContact CD1-CZ 3.78Å; F1080-Y1085 HydrophobicContact CG-CE1 4.24Å; F1080-Y1085 VanDerWaalsContact O-CE1 3.23Å; F1080-Y1085 WeakPolarHBondContact O-CE1 3.46Å; F1080-I1090 HydrophobicContact CZ-CD1 3.92Å; F1080-V1119 HydrophobicContact CD1-CG1 4.12Å; F1080-V1119 HydrophobicContact CD2-CG1 4.44Å; F1080-V1119 HydrophobicContact CE1-CB 4.47Å; F1080-V1119 HydrophobicContact CE1-CG1 4.3Å; F1080-V1119 HydrophobicContact CG-CG1 4.21Å; F1080-V1119 HydrophobicContact CZ-CG2 4.45Å |
| 1081 | R | 82.4 | Confident | 87.1 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.1 | -73.8 | 172.8 | -170.8 | 157.2 | 7.6 | 111.5 | V953 H954 E961 D1077 D1078 F1079 K1121 | V953-R1081 HydrophobicContact CG1-CG 3.83Å; H954-R1081 PolarHBondContact O-NE 3.07Å; E961-R1081 PolarHBondContact O-NH1 3.22Å; E961-R1081 VanDerWaalsContact O-NH1 3.16Å; E961-R1081 PolarHBondContact O-NH2 2.94Å; D1077-R1081 VanDerWaalsContact O-CG 3.32Å; D1077-R1081 WeakPolarHBondContact O-CG 3.23Å; D1077-R1081 PolarHBondContact O-N 2.99Å; D1077-R1081 IonicContact OD2-CZ 3.84Å; D1077-R1081 IonicContact OD2-NH2 2.71Å; D1077-R1081 PolarHBondContact OD2-NH2 3.27Å; D1078-R1081 IonicContact OD1-NH1 2.63Å; D1078-R1081 PolarHBondContact OD1-NH1 3.5Å; F1079-R1081 VanDerWaalsContact C-N 3.34Å; F1079-R1081 PolarHBondContact O-N 3.26Å; R1081-K1121 PolarHBondContact O-NZ 2.73Å; R1081-K1121 VanDerWaalsContact O-NZ 3.1Å |
| 1082 | K | 78.4 | Confident | 87 | Confident | 179 Ų | 179 | 45.3 Ų | 45.3 | 78% | 0.778 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -68.8 | -32.8 | -178.6 | -68.7 | 173 | -175.6 | 174.5 | 0 | 112.9 | D1078 F1079 | D1078-K1082 WeakPolarHBondContact O-CG 3.3Å; D1078-K1082 PolarHBondContact O-N 3.31Å; F1079-K1082 PolarHBondContact O-N 3.26Å |
| 1083 | V | 79.6 | Confident | 86.9 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -86.8 | 141.6 | -172.8 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | P1037 M1040 F1079 Y1085 K1121 | P1037-V1083 HydrophobicContact CB-CG2 3.63Å; P1037-V1083 WeakPolarHBondContact O-CG1 3.27Å; M1040-V1083 HydrophobicContact CB-CG1 3.49Å; M1040-V1083 VanDerWaalsContact CB-CG1 3.49Å; M1040-V1083 HydrophobicContact CE-CG1 4.14Å; M1040-V1083 HydrophobicContact CG-CG1 4.03Å; M1040-V1083 HydrophobicContact SD-CB 4.45Å; M1040-V1083 HydrophobicContact SD-CG1 3.64Å; M1040-V1083 HydrophobicContact SD-CG2 4.43Å; F1079-V1083 HydrophobicContact CE1-CG2 4.32Å; F1079-V1083 HydrophobicContact CE2-CG2 4.43Å; F1079-V1083 HydrophobicContact CZ-CG2 4.23Å; F1079-V1083 WeakPolarHBondContact O-CG2 3.18Å; F1079-V1083 PolarHBondContact O-N 3.26Å; V1083-Y1085 HydrophobicContact CB-CD1 4.35Å; V1083-Y1085 HydrophobicContact CG1-CD1 4.18Å; V1083-K1121 PolarHBondContact O-NZ 3.32Å |
| 1084 | K | 78.3 | Confident | 86.9 | Confident | 147 Ų | 147 | 47.6 Ų | 47.6 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | trans | -85.9 | 116.3 | 173 | -64.6 | -180 | -177.4 | 174.3 | 0 | 109.5 | M1040 M1041 | M1040-K1084 CarbonylContact C-O 3.56Å; M1041-K1084 HydrophobicContact CG-CB 3.44Å; M1041-K1084 VanDerWaalsContact CG-CB 3.44Å; M1041-K1084 WeakPolarHBondContact CG-O 3.38Å; M1041-K1084 PolarHBondContact N-O 3.1Å; M1041-K1084 HydrophobicContact SD-CB 3.69Å; M1041-K1084 HydrophobicContact SD-CD 4.09Å | ||
| 1085 | Y | 84.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | trans | -156.9 | 163.8 | 172.6 | 68.1 | -84.1 | 0 | 0 | 0 | 109.7 | F1080 V1083 V1088 V1119 K1121 | F1080-Y1085 HydrophobicContact CB-CE1 3.83Å; F1080-Y1085 WeakPolarHBondContact CB-OH 3.31Å; F1080-Y1085 HydrophobicContact CD1-CD1 4.46Å; F1080-Y1085 AromaticContact CD1-CE1 3.69Å; F1080-Y1085 HydrophobicContact CD1-CE1 3.69Å; F1080-Y1085 AromaticContact CD1-CZ 3.78Å; F1080-Y1085 HydrophobicContact CG-CE1 4.24Å; F1080-Y1085 VanDerWaalsContact O-CE1 3.23Å; F1080-Y1085 WeakPolarHBondContact O-CE1 3.46Å; V1083-Y1085 HydrophobicContact CB-CD1 4.35Å; V1083-Y1085 HydrophobicContact CG1-CD1 4.18Å; Y1085-V1088 HydrophobicContact CD2-CB 4.38Å; Y1085-V1088 HydrophobicContact CD2-CG2 3.64Å; Y1085-V1088 HydrophobicContact CE2-CG2 4.44Å; Y1085-V1088 HydrophobicContact CG-CG2 3.77Å; Y1085-V1119 HydrophobicContact CE2-CG1 4.38Å; Y1085-V1119 WeakPolarHBondContact CE2-O 3.22Å; Y1085-K1121 HydrophobicContact CD1-CD 4.49Å; Y1085-K1121 HydrophobicContact CD2-CB 4.35Å; Y1085-K1121 HydrophobicContact CE1-CB 4.45Å; Y1085-K1121 HydrophobicContact CE1-CD 4.31Å; Y1085-K1121 HydrophobicContact CE2-CB 3.89Å; Y1085-K1121 WeakPolarHBondContact O-CB 3.38Å | ||
| 1086 | K | 81.3 | Confident | 86.7 | Confident | 182 Ų | 182 | 45.7 Ų | 45.7 | 79% | 0.791 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -100 | -54.1 | 171.5 | -72.3 | -178.9 | -179.2 | 173 | 0 | 111.5 | K1121 | K1086-K1121 PolarHBondContact O-N 2.8Š|
| 1087 | S | 85.7 | Confident | 86.4 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 142.9 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | E1118 V1119 L1120 | S1087-E1118 VanDerWaalsContact OG-CD 3.29Å; S1087-E1118 WeakPolarHBondContact OG-CG 3.44Å; S1087-E1118 PolarHBondContact OG-OE1 3.48Å; S1087-V1119 CarbonylContact C-O 3.57Å; S1087-V1119 VanDerWaalsContact CA-O 3.31Å; S1087-V1119 WeakPolarHBondContact CA-O 3.19Å; S1087-L1120 WeakPolarHBondContact OG-CD2 3.37Å |
| 1088 | V | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130.3 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | M1040 E1044 L1046 Y1085 I1090 E1118 V1119 | M1040-V1088 HydrophobicContact CE-CB 4.37Å; M1040-V1088 HydrophobicContact CE-CG1 4.11Å; M1040-V1088 HydrophobicContact CE-CG2 3.62Å; E1044-V1088 CarbonylContact O-C 3.58Å; E1044-V1088 WeakPolarHBondContact O-CA 3.36Å; L1046-V1088 HydrophobicContact CB-CG1 4.47Å; L1046-V1088 HydrophobicContact CD1-CG1 3.76Å; L1046-V1088 HydrophobicContact CG-CG1 3.82Å; Y1085-V1088 HydrophobicContact CD2-CB 4.38Å; Y1085-V1088 HydrophobicContact CD2-CG2 3.64Å; Y1085-V1088 HydrophobicContact CE2-CG2 4.44Å; Y1085-V1088 HydrophobicContact CG-CG2 3.77Å; V1088-I1090 HydrophobicContact CG1-CG1 4.48Å; V1088-E1118 CarbonylContact O-C 3.52Å; V1088-E1118 WeakPolarHBondContact O-CA 3.43Å; V1088-V1119 PolarHBondContact N-O 2.97Å; V1088-V1119 PolarHBondContact O-N 3.46Å |
| 1089 | R | 90.6 | Very high | 85.3 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 118.5 | 175.1 | -67.3 | -172.1 | -65 | 156.7 | -1.1 | 110.3 | E1044 I1045 L1046 V1116 L1117 E1118 | E1044-R1089 PolarHBondContact O-N 2.92Å; I1045-R1089 CarbonylContact C-O 3.47Å; I1045-R1089 WeakPolarHBondContact CA-O 3.29Å; L1046-R1089 PolarHBondContact N-O 2.94Å; R1089-V1116 HydrophobicContact CB-CG1 3.99Å; R1089-V1116 HydrophobicContact CG-CG1 4.2Å; R1089-L1117 CarbonylContact C-O 3.57Å; R1089-L1117 WeakPolarHBondContact CA-O 3.46Å; R1089-E1118 HydrophobicContact CG-CG 4.38Å |
| 1090 | I | 91.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.1 | 175.7 | -52.7 | 177.5 | 0 | 0 | 0 | 107.6 | P991 F1000 M1001 L1046 F1080 V1088 V1116 L1117 V1119 | P991-I1090 HydrophobicContact CB-CG2 3.78Å; P991-I1090 HydrophobicContact CG-CG2 4.05Å; F1000-I1090 HydrophobicContact CD2-CD1 4.13Å; F1000-I1090 HydrophobicContact CE2-CD1 4.05Å; F1000-I1090 HydrophobicContact CE2-CG2 4.18Å; M1001-I1090 HydrophobicContact CE-CB 4.43Å; M1001-I1090 HydrophobicContact CE-CD1 3.52Å; M1001-I1090 HydrophobicContact CE-CG2 3.93Å; L1046-I1090 HydrophobicContact CB-CG1 4.31Å; L1046-I1090 HydrophobicContact CD1-CG1 4.34Å; L1046-I1090 CarbonylContact O-C 3.49Å; L1046-I1090 WeakPolarHBondContact O-CA 3.34Å; F1080-I1090 HydrophobicContact CZ-CD1 3.92Å; V1088-I1090 HydrophobicContact CG1-CG1 4.48Å; I1090-V1116 WeakPolarHBondContact O-CA 3.45Å; I1090-L1117 HydrophobicContact CB-CB 4.43Å; I1090-L1117 HydrophobicContact CD1-CD2 4.44Å; I1090-L1117 PolarHBondContact N-O 3.26Å; I1090-L1117 PolarHBondContact O-N 3.34Å; I1090-V1119 HydrophobicContact CD1-CG2 3.91Å |
| 1091 | I | 92.4 | Very high | 82.8 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 112.2 | -175.4 | -53 | -179.5 | 0 | 0 | 0 | 109.3 | P991 I1045 L1046 N1047 E1114 T1115 V1116 | P991-I1091 WeakPolarHBondContact CG-O 3.27Å; I1045-I1091 HydrophobicContact CG2-CD1 3.59Å; I1045-I1091 HydrophobicContact CG2-CG1 4.02Å; L1046-I1091 PolarHBondContact O-N 3.02Å; N1047-I1091 HydrophobicContact CB-CB 4.17Å; I1091-E1114 HydrophobicContact CG2-CB 4.06Å; I1091-E1114 HydrophobicContact CG2-CG 4.24Å; I1091-T1115 CarbonylContact C-O 3.55Å; I1091-T1115 VanDerWaalsContact CA-O 3.32Å; I1091-T1115 WeakPolarHBondContact CA-O 3.25Å; I1091-V1116 HydrophobicContact CG1-CG2 4.26Å |
| 1092 | S | 91.9 | Very high | 82 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.014 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136 | 174.8 | -35.7 | 0 | 0 | 0 | 0 | 110 | L989 R1073 E1114 T1115 | L989-S1092 WeakPolarHBondContact O-CA 3.47Å; L989-S1092 WeakPolarHBondContact O-CB 3.3Å; R1073-S1092 PolarHBondContact NH1-OG 3.05Å; S1092-E1114 CarbonylContact O-C 3.56Å; S1092-E1114 VanDerWaalsContact O-CA 3.31Å; S1092-E1114 WeakPolarHBondContact O-CA 3.35Å; S1092-T1115 WeakPolarHBondContact CB-OG1 3.19Å; S1092-T1115 PolarHBondContact N-O 3.39Å; S1092-T1115 PolarHBondContact O-N 3.2Å; S1092-T1115 PolarHBondContact O-OG1 2.96Å |
| 1093 | A | 91.9 | Very high | 81.8 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 148.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V988 L989 E1114 | V988-A1093 WeakPolarHBondContact CA-O 3.32Å; L989-A1093 PolarHBondContact N-O 2.98Å; L989-A1093 PolarHBondContact O-N 3.43Å; L989-A1093 VanDerWaalsContact O-N 3.12Å; A1093-E1114 HydrophobicContact CB-CG 4.46Å |
| 1094 | Y | 91.4 | Very high | 81.7 | Confident | 22 Ų | 22 | 61 Ų | 61 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.2 | 171.6 | 57.7 | -92.8 | 0 | 0 | 0 | 111.3 | V942 S944 I971 R987 Q1112 G1113 T1115 | V942-Y1094 HydrophobicContact CB-CE2 4.19Å; V942-Y1094 HydrophobicContact CG1-CD2 3.75Å; V942-Y1094 HydrophobicContact CG1-CE2 3.44Å; V942-Y1094 VanDerWaalsContact CG1-CE2 3.44Å; S944-Y1094 VanDerWaalsContact OG-CE1 3.3Å; S944-Y1094 WeakPolarHBondContact OG-CE1 3.37Å; S944-Y1094 PolarHBondContact OG-OH 2.94Å; S944-Y1094 VanDerWaalsContact OG-OH 3.08Å; I971-Y1094 HydrophobicContact CD1-CG 4.46Å; R987-Y1094 CarbonylContact O-C 3.31Å; R987-Y1094 VanDerWaalsContact O-CA 3.27Å; R987-Y1094 WeakPolarHBondContact O-CA 3.39Å; Y1094-Q1112 WeakPolarHBondContact O-CA 3.41Å; Y1094-G1113 WeakPolarHBondContact CD1-O 3.45Å; Y1094-G1113 VanDerWaalsContact CE1-C 3.45Å; Y1094-G1113 PolarHBondContact N-O 3.33Å; Y1094-G1113 PolarHBondContact O-N 2.76Å; Y1094-T1115 HydrophobicContact CD1-CG2 4.31Å; Y1094-T1115 HydrophobicContact CE1-CG2 3.96Å |
| 1095 | S | 88.9 | Confident | 81.6 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 144.1 | 175.1 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | R987 V1111 | R987-S1095 PolarHBondContact N-O 3.48Å; R987-S1095 PolarHBondContact O-N 3.46Å; S1095-V1111 WeakPolarHBondContact CA-O 3.45Å |
| 1096 | L | 87.3 | Confident | 81.1 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134 | 173.6 | 165 | 104.4 | 0 | 0 | 0 | 109.6 | L940 V942 L973 L984 E985 L986 V1111 | L940-L1096 HydrophobicContact CD1-CD2 4.3Å; V942-L1096 HydrophobicContact CG2-CB 4.35Å; V942-L1096 HydrophobicContact CG2-CD2 3.86Å; L973-L1096 HydrophobicContact CD1-CD1 4.23Å; L973-L1096 HydrophobicContact CD2-CD1 4.12Å; L973-L1096 HydrophobicContact CD2-CD2 4.25Å; L984-L1096 HydrophobicContact CB-CD1 3.81Å; L984-L1096 HydrophobicContact CD1-CD1 4.37Å; L984-L1096 HydrophobicContact CD1-CD2 4.4Å; E985-L1096 WeakPolarHBondContact O-CA 3.45Å; L986-L1096 HydrophobicContact CB-CD1 3.97Å; L986-L1096 HydrophobicContact CD1-CB 3.99Å; L1096-V1111 HydrophobicContact CB-CG1 3.24Å; L1096-V1111 HydrophobicContact CD2-CG1 3.47Å; L1096-V1111 VanDerWaalsContact CD2-CG1 3.47Å; L1096-V1111 HydrophobicContact CG-CG1 3.74Å; L1096-V1111 PolarHBondContact N-O 3.49Å; L1096-V1111 VanDerWaalsContact O-CB 3.29Å; L1096-V1111 WeakPolarHBondContact O-CB 3.42Å; L1096-V1111 WeakPolarHBondContact O-CG1 3.48Å |
| 1097 | S | 84 | Confident | 80.4 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.9 | -177.6 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | L984 E985 | L984-S1097 CarbonylContact C-O 3.57Å; L984-S1097 WeakPolarHBondContact CA-O 3.44Å; E985-S1097 PolarHBondContact N-O 3.19Å; E985-S1097 PolarHBondContact O-N 2.93Å |
| 1098 | A | 77.3 | Confident | 79 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | L984 L1106 | L984-A1098 HydrophobicContact CD2-CB 3.84Å; A1098-L1106 HydrophobicContact CB-CD1 3.56Å; A1098-L1106 HydrophobicContact CB-CG 3.9Å; A1098-L1106 VanDerWaalsContact N-CD1 3.33Å |
| 1099 | Q | 69.6 | Low | 77.4 | Confident | 141 Ų | 141 | 59.3 Ų | 59.3 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 136.1 | 171.8 | -158.8 | 171.7 | 10.3 | 0 | 0 | 109.1 | N983 T1101 | N983-Q1099 HydrophobicContact CB-CB 4.22Å; N983-Q1099 PolarHBondContact O-N 2.86Å; N983-Q1099 VanDerWaalsContact O-N 3.1Å; Q1099-T1101 PolarHBondContact O-N 2.8Å |
| 1100 | E | 59 | Low | 75.8 | Confident | 197 Ų | 197 | 58 Ų | 58 | 92% | 0.921 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 116 | -172.7 | -74.9 | -176.4 | 167.7 | 0 | 0 | 111.9 | ||
| 1101 | T | 62.4 | Low | 74.6 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | trans | -129.9 | 141.5 | 171.9 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | Q1099 L1103 I1104 | Q1099-T1101 PolarHBondContact O-N 2.8Å; T1101-L1103 PolarHBondContact O-N 3.41Å; T1101-I1104 PolarHBondContact OG1-N 3.47Å | ||
| 1102 | N | 66.3 | Low | 74 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -64.6 | 5.9 | 174.3 | -69.7 | -28.9 | 0 | 0 | 0 | 113.8 | ||
| 1103 | L | 74.8 | Confident | 73.6 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 23% | 0.23 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -115.2 | -40.8 | -169 | -171.1 | 69.3 | 0 | 0 | 0 | 112.3 | L902 H903 N904 Y936 T1101 | L902-L1103 HydrophobicContact CB-CD1 4.17Å; L902-L1103 HydrophobicContact CB-CD2 3.87Å; L902-L1103 HydrophobicContact CB-CG 4.21Å; H903-L1103 VanDerWaalsContact C-CD1 3.48Å; N904-L1103 HydrophobicContact CB-CD1 4.07Å; N904-L1103 VanDerWaalsContact N-CD1 3.33Å; Y936-L1103 HydrophobicContact CD2-CD1 3.91Å; Y936-L1103 HydrophobicContact CD2-CG 4.26Å; Y936-L1103 HydrophobicContact CE2-CD1 3.85Å; Y936-L1103 PolarHBondContact N-O 2.67Å; T1101-L1103 PolarHBondContact O-N 3.41Å |
| 1104 | I | 76.1 | Confident | 73.5 | Confident | 22 Ų | 22 | 71.3 Ų | 71.3 | 11% | 0.113 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 130.3 | -173.3 | -59.3 | -177.6 | 0 | 0 | 0 | 109.7 | L902 Y936 P938 V981 T1101 | L902-I1104 HydrophobicContact CD1-CD1 4.48Å; Y936-I1104 WeakPolarHBondContact O-CA 3.25Å; P938-I1104 HydrophobicContact CG-CG2 3.81Å; V981-I1104 HydrophobicContact CG1-CD1 4Å; T1101-I1104 PolarHBondContact OG1-N 3.47Å |
| 1105 | T | 77.8 | Confident | 73.4 | Confident | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.344 | 42% | 0.423 | S | S | . | . | trans | -119.8 | 129.5 | 173 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | V815 Y936 E937 P938 | V815-T1105 HydrophobicContact CG1-CG2 4.34Å; Y936-T1105 PolarHBondContact O-N 2.8Å; E937-T1105 HydrophobicContact CB-CG2 4.29Å; P938-T1105 WeakPolarHBondContact CD-O 3.47Å | ||
| 1106 | L | 73.3 | Confident | 73.5 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | trans | -92.6 | 137.8 | 175 | -65.2 | -179.2 | 0 | 0 | 0 | 110.4 | P938 L940 A1098 | P938-L1106 HydrophobicContact CG-CD2 3.82Å; L940-L1106 HydrophobicContact CD1-CD2 3.97Å; A1098-L1106 HydrophobicContact CB-CD1 3.56Å; A1098-L1106 HydrophobicContact CB-CG 3.9Å; A1098-L1106 VanDerWaalsContact N-CD1 3.33Å | ||
| 1107 | G | 66.1 | Low | 73.6 | Confident | 24 Ų | 24 | 72 Ų | 72 | 25% | 0.247 | 43% | 0.428 | C | S | . | . | trans | -66.9 | 147.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1109 T1110 | G1107-G1109 PolarHBondContact O-N 3.44Å; G1107-T1110 PolarHBondContact O-OG1 3Å | ||
| 1108 | A | 56.2 | Low | 73.9 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 100% | 1.008 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 9.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1109 | G | 55.5 | Low | 74.4 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 5.6 | -173 | 0 | 0 | 0 | 0 | 0 | 117 | G1107 | G1107-G1109 PolarHBondContact O-N 3.44Š|
| 1110 | T | 57.7 | Low | 75.2 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -101.6 | -4.2 | -159.7 | -19.1 | 0 | 0 | 0 | 0 | 115.5 | G1107 | G1107-T1110 PolarHBondContact O-OG1 3Š|
| 1111 | V | 67.5 | Low | 76.4 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -145 | 46.6 | -159.3 | -148.6 | 0 | 0 | 0 | 0 | 117.1 | V942 S1095 L1096 | V942-V1111 HydrophobicContact CG2-CG1 3.87Å; S1095-V1111 WeakPolarHBondContact CA-O 3.45Å; L1096-V1111 HydrophobicContact CB-CG1 3.24Å; L1096-V1111 HydrophobicContact CD2-CG1 3.47Å; L1096-V1111 VanDerWaalsContact CD2-CG1 3.47Å; L1096-V1111 HydrophobicContact CG-CG1 3.74Å; L1096-V1111 PolarHBondContact N-O 3.49Å; L1096-V1111 VanDerWaalsContact O-CB 3.29Å; L1096-V1111 WeakPolarHBondContact O-CB 3.42Å; L1096-V1111 WeakPolarHBondContact O-CG1 3.48Å |
| 1112 | Q | 79.3 | Confident | 76.8 | Confident | 174 Ų | 174 | 57.2 Ų | 57.2 | 81% | 0.813 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148 | 170.9 | -64 | -174.8 | -3.7 | 0 | 0 | 111.5 | Y1094 | Y1094-Q1112 WeakPolarHBondContact O-CA 3.41Å |
| 1113 | G | 84.1 | Confident | 76.8 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1094 | Y1094-G1113 WeakPolarHBondContact CD1-O 3.45Å; Y1094-G1113 VanDerWaalsContact CE1-C 3.45Å; Y1094-G1113 PolarHBondContact N-O 3.33Å; Y1094-G1113 PolarHBondContact O-N 2.76Å |
| 1114 | E | 89.6 | Confident | 75.9 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 154.3 | -175.7 | -62.9 | -176.2 | 164.6 | 0 | 0 | 112.1 | I1091 S1092 A1093 | I1091-E1114 HydrophobicContact CG2-CB 4.06Å; I1091-E1114 HydrophobicContact CG2-CG 4.24Å; S1092-E1114 CarbonylContact O-C 3.56Å; S1092-E1114 VanDerWaalsContact O-CA 3.31Å; S1092-E1114 WeakPolarHBondContact O-CA 3.35Å; A1093-E1114 HydrophobicContact CB-CG 4.46Å |
| 1115 | T | 88.5 | Confident | 74.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.098 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.9 | 173.1 | 61.2 | 0 | 0 | 0 | 0 | 110.1 | S944 T969 I1091 S1092 Y1094 | S944-T1115 VanDerWaalsContact OG-CG2 3.29Å; S944-T1115 WeakPolarHBondContact OG-CG2 3.21Å; T969-T1115 HydrophobicContact CG2-CG2 4.12Å; I1091-T1115 CarbonylContact C-O 3.55Å; I1091-T1115 VanDerWaalsContact CA-O 3.32Å; I1091-T1115 WeakPolarHBondContact CA-O 3.25Å; S1092-T1115 WeakPolarHBondContact CB-OG1 3.19Å; S1092-T1115 PolarHBondContact N-O 3.39Å; S1092-T1115 PolarHBondContact O-N 3.2Å; S1092-T1115 PolarHBondContact O-OG1 2.96Å; Y1094-T1115 HydrophobicContact CD1-CG2 4.31Å; Y1094-T1115 HydrophobicContact CE1-CG2 3.96Å |
| 1116 | V | 90.6 | Very high | 74 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.1 | -173.3 | -173.2 | 0 | 0 | 0 | 0 | 110.8 | R1089 I1090 I1091 | R1089-V1116 HydrophobicContact CB-CG1 3.99Å; R1089-V1116 HydrophobicContact CG-CG1 4.2Å; I1090-V1116 WeakPolarHBondContact O-CA 3.45Å; I1091-V1116 HydrophobicContact CG1-CG2 4.26Å |
| 1117 | L | 90.9 | Very high | 73.1 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.021 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | 167.5 | 171 | 64.9 | 0 | 0 | 0 | 109.4 | L948 F967 M1001 V1075 R1089 I1090 V1119 | L948-L1117 HydrophobicContact CD2-CD1 4.28Å; L948-L1117 HydrophobicContact CG-CD1 3.99Å; F967-L1117 HydrophobicContact CE1-CD2 3.86Å; F967-L1117 HydrophobicContact CE2-CD2 4.3Å; F967-L1117 HydrophobicContact CZ-CD2 3.64Å; M1001-L1117 HydrophobicContact CE-CD2 3.9Å; V1075-L1117 HydrophobicContact CG2-CD2 4.13Å; R1089-L1117 CarbonylContact C-O 3.57Å; R1089-L1117 WeakPolarHBondContact CA-O 3.46Å; I1090-L1117 HydrophobicContact CB-CB 4.43Å; I1090-L1117 HydrophobicContact CD1-CD2 4.44Å; I1090-L1117 PolarHBondContact N-O 3.26Å; I1090-L1117 PolarHBondContact O-N 3.34Å; L1117-V1119 HydrophobicContact CD2-CG2 4.25Å; L1117-V1119 HydrophobicContact CG-CG2 4.15Å |
| 1118 | E | 90 | Very high | 72.7 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.2 | 174.4 | -169.2 | -172.8 | -158 | 0 | 0 | 111 | N949 R950 Y951 S1087 V1088 R1089 L1120 | N949-E1118 PolarHBondContact O-N 2.92Å; R950-E1118 CarbonylContact C-O 3.5Å; R950-E1118 WeakPolarHBondContact CA-O 3.5Å; R950-E1118 HydrophobicContact CG-CB 4.28Å; R950-E1118 IonicContact CZ-OE2 3.23Å; R950-E1118 IonicContact NE-OE2 3.49Å; R950-E1118 PolarHBondContact NE-OE2 3.44Å; R950-E1118 IonicContact NH2-OE2 2.69Å; Y951-E1118 PolarHBondContact N-O 3.13Å; S1087-E1118 VanDerWaalsContact OG-CD 3.29Å; S1087-E1118 WeakPolarHBondContact OG-CG 3.44Å; S1087-E1118 PolarHBondContact OG-OE1 3.48Å; V1088-E1118 CarbonylContact O-C 3.52Å; V1088-E1118 WeakPolarHBondContact O-CA 3.43Å; R1089-E1118 HydrophobicContact CG-CG 4.38Å; E1118-L1120 HydrophobicContact CG-CD2 4.26Å |
| 1119 | V | 88.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.1 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | Y951 V953 F1080 Y1085 S1087 V1088 I1090 L1117 | Y951-V1119 HydrophobicContact CD1-CG1 4.48Å; Y951-V1119 CarbonylContact O-C 3.46Å; Y951-V1119 VanDerWaalsContact O-CA 3.3Å; Y951-V1119 WeakPolarHBondContact O-CA 3.32Å; V953-V1119 HydrophobicContact CG2-CG1 3.61Å; F1080-V1119 HydrophobicContact CD1-CG1 4.12Å; F1080-V1119 HydrophobicContact CD2-CG1 4.44Å; F1080-V1119 HydrophobicContact CE1-CB 4.47Å; F1080-V1119 HydrophobicContact CE1-CG1 4.3Å; F1080-V1119 HydrophobicContact CG-CG1 4.21Å; F1080-V1119 HydrophobicContact CZ-CG2 4.45Å; Y1085-V1119 HydrophobicContact CE2-CG1 4.38Å; Y1085-V1119 WeakPolarHBondContact CE2-O 3.22Å; S1087-V1119 CarbonylContact C-O 3.57Å; S1087-V1119 VanDerWaalsContact CA-O 3.31Å; S1087-V1119 WeakPolarHBondContact CA-O 3.19Å; V1088-V1119 PolarHBondContact N-O 2.97Å; V1088-V1119 PolarHBondContact O-N 3.46Å; I1090-V1119 HydrophobicContact CD1-CG2 3.91Å; L1117-V1119 HydrophobicContact CD2-CG2 4.25Å; L1117-V1119 HydrophobicContact CG-CG2 4.15Å |
| 1120 | L | 86.5 | Confident | 73.8 | Confident | 30 Ų | 30 | 84.8 Ų | 84.8 | 16% | 0.157 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.5 | -178 | -54.7 | 171.7 | 0 | 0 | 0 | 111.5 | R950 Y951 E952 V953 S1087 E1118 | R950-L1120 HydrophobicContact CG-CD1 4.23Å; Y951-L1120 PolarHBondContact O-N 3.37Å; E952-L1120 WeakPolarHBondContact CA-O 3.48Å; E952-L1120 HydrophobicContact CB-CB 4.33Å; E952-L1120 HydrophobicContact CG-CB 4.24Å; V953-L1120 PolarHBondContact N-O 3.06Å; S1087-L1120 WeakPolarHBondContact OG-CD2 3.37Å; E1118-L1120 HydrophobicContact CG-CD2 4.26Å |
| 1121 | K | 82.4 | Confident | 74.5 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.2 | 172.7 | -166.2 | 161 | -168.7 | 159.2 | 0 | 111 | R1081 V1083 Y1085 K1086 | R1081-K1121 PolarHBondContact O-NZ 2.73Å; R1081-K1121 VanDerWaalsContact O-NZ 3.1Å; V1083-K1121 PolarHBondContact O-NZ 3.32Å; Y1085-K1121 HydrophobicContact CD1-CD 4.49Å; Y1085-K1121 HydrophobicContact CD2-CB 4.35Å; Y1085-K1121 HydrophobicContact CE1-CB 4.45Å; Y1085-K1121 HydrophobicContact CE1-CD 4.31Å; Y1085-K1121 HydrophobicContact CE2-CB 3.89Å; Y1085-K1121 WeakPolarHBondContact O-CB 3.38Å; K1086-K1121 PolarHBondContact O-N 2.8Å |
| 1122 | G | 71.8 | Confident | 74.6 | Confident | 8 Ų | 8 | 90.7 Ų | 90.7 | 8% | 0.082 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 144.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E952 V953 | E952-G1122 WeakPolarHBondContact OE1-CA 3.39Å; V953-G1122 PolarHBondContact O-N 3.31Å |
| 1123 | R | 66.6 | Low | 74.5 | Confident | 232 Ų | 232 | 86 Ų | 86 | 88% | 0.875 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 127.7 | 179.5 | -68.3 | -176.9 | -179.3 | 178.1 | 1.4 | 110.9 | ||
| 1124 | A | 56.5 | Low | 74.1 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 125 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P955 P1126 | P955-A1124 HydrophobicContact CG-CB 4.11Å; A1124-P1126 VanDerWaalsContact O-CD 3.32Å; A1124-P1126 WeakPolarHBondContact O-CD 3.49Å |
| 1125 | I | 55.1 | Low | 73.6 | Confident | 153 Ų | 153 | 85.4 Ų | 85.4 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | trans | -94.4 | 108.3 | 173.7 | -55.5 | 168.8 | 0 | 0 | 0 | 107.4 | I1127 | I1125-I1127 PolarHBondContact O-N 2.85Š| ||
| 1126 | P | 57.2 | Low | 73.3 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 79% | 0.786 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 117.9 | 175.8 | 28.9 | -31 | 0 | 0 | 0 | 110.1 | A1124 | A1124-P1126 VanDerWaalsContact O-CD 3.32Å; A1124-P1126 WeakPolarHBondContact O-CD 3.49Å |
| 1127 | I | 56.1 | Low | 73 | Confident | 139 Ų | 139 | 90.8 Ų | 90.8 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 126 | 170.5 | -56.1 | 171.3 | 0 | 0 | 0 | 108 | I1125 L1129 | I1125-I1127 PolarHBondContact O-N 2.85Å; I1127-L1129 PolarHBondContact O-N 3.22Å |
| 1128 | S | 57.7 | Low | 72.7 | Confident | 59 Ų | 59 | 92.6 Ų | 92.6 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 128.3 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 112 | W1130 I1131 | S1128-W1130 PolarHBondContact O-N 2.87Å; S1128-I1131 PolarHBondContact O-N 2.89Å |
| 1129 | L | 64.1 | Low | 72.4 | Confident | 129 Ų | 129 | 91.9 Ų | 91.9 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -53.9 | -28.3 | 179.8 | -148.3 | 90.8 | 0 | 0 | 0 | 113.1 | I1127 I1131 L1132 I1133 | I1127-L1129 PolarHBondContact O-N 3.22Å; L1129-I1131 VanDerWaalsContact C-N 3.33Å; L1129-I1131 PolarHBondContact O-N 2.91Å; L1129-L1132 PolarHBondContact O-N 3.28Å; L1129-I1133 HydrophobicContact CD2-CD1 4.1Å; L1129-I1133 HydrophobicContact CG-CD1 4.48Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.33Å; L1129-I1133 PolarHBondContact O-N 2.67Å; L1129-I1133 VanDerWaalsContact O-N 3.09Å |
| 1130 | W | 70.1 | Confident | 72.3 | Confident | 205 Ų | 205 | 97.2 Ų | 97.2 | 78% | 0.777 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -31.3 | 178.6 | -68.3 | 104.7 | 0 | 0 | 0 | 113.7 | S1128 G1134 | S1128-W1130 PolarHBondContact O-N 2.87Å; W1130-G1134 PolarHBondContact O-N 3.02Å |
| 1131 | I | 72.8 | Confident | 72.3 | Confident | 121 Ų | 121 | 101.6 Ų | 101.6 | 62% | 0.621 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.9 | -36.4 | 177.9 | -62.1 | 173 | 0 | 0 | 0 | 110.1 | S1128 L1129 S1135 | S1128-I1131 PolarHBondContact O-N 2.89Å; L1129-I1131 VanDerWaalsContact C-N 3.33Å; L1129-I1131 PolarHBondContact O-N 2.91Å; I1131-S1135 WeakPolarHBondContact O-CB 3.38Å; I1131-S1135 PolarHBondContact O-N 2.91Å; I1131-S1135 VanDerWaalsContact O-N 3.12Å |
| 1132 | L | 68.8 | Low | 72.5 | Confident | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -44 | 178.1 | -122.1 | 146.1 | 0 | 0 | 0 | 111.6 | L1129 S1135 I1136 | L1129-L1132 PolarHBondContact O-N 3.28Å; L1132-S1135 PolarHBondContact O-N 3.37Å; L1132-I1136 HydrophobicContact CD2-CD1 4.27Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.26Å; L1132-I1136 PolarHBondContact O-N 2.86Å |
| 1133 | I | 76.3 | Confident | 73.1 | Confident | 75 Ų | 75 | 107.7 Ų | 107.7 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 176.2 | -65.2 | 169.4 | 0 | 0 | 0 | 111.1 | L1129 S1135 I1136 I1137 | L1129-I1133 HydrophobicContact CD2-CD1 4.1Å; L1129-I1133 HydrophobicContact CG-CD1 4.48Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.33Å; L1129-I1133 PolarHBondContact O-N 2.67Å; L1129-I1133 VanDerWaalsContact O-N 3.09Å; I1133-S1135 VanDerWaalsContact C-N 3.32Å; I1133-S1135 PolarHBondContact O-N 2.9Å; I1133-I1136 PolarHBondContact O-N 2.84Å; I1133-I1137 HydrophobicContact CG2-CD1 3.82Å; I1133-I1137 WeakPolarHBondContact O-CG1 3.29Å; I1133-I1137 PolarHBondContact O-N 3.04Å; I1133-I1137 VanDerWaalsContact O-N 3.16Å |
| 1134 | G | 77.8 | Confident | 74 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 46% | 0.464 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W1130 G1138 | W1130-G1134 PolarHBondContact O-N 3.02Å; G1134-G1138 PolarHBondContact O-N 3.49Å; G1134-G1138 VanDerWaalsContact O-N 3.09Å |
| 1135 | S | 78.3 | Confident | 75.4 | Confident | 90 Ų | 90 | 101 Ų | 101 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.3 | -37.6 | 179.4 | -157.9 | 0 | 0 | 0 | 0 | 112.7 | I1131 L1132 I1133 G1139 | I1131-S1135 WeakPolarHBondContact O-CB 3.38Å; I1131-S1135 PolarHBondContact O-N 2.91Å; I1131-S1135 VanDerWaalsContact O-N 3.12Å; L1132-S1135 PolarHBondContact O-N 3.37Å; I1133-S1135 VanDerWaalsContact C-N 3.32Å; I1133-S1135 PolarHBondContact O-N 2.9Å; S1135-G1139 PolarHBondContact O-N 3.4Å |
| 1136 | I | 81.9 | Confident | 76.8 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -44.6 | 176.6 | -66.8 | 167.5 | 0 | 0 | 0 | 111.3 | L1132 I1133 G1139 L1140 | L1132-I1136 HydrophobicContact CD2-CD1 4.27Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.26Å; L1132-I1136 PolarHBondContact O-N 2.86Å; I1133-I1136 PolarHBondContact O-N 2.84Å; I1136-G1139 PolarHBondContact O-N 3.31Å; I1136-L1140 HydrophobicContact CG2-CD1 4.16Å; I1136-L1140 PolarHBondContact O-N 3.06Å; I1136-L1140 VanDerWaalsContact O-N 3.08Å |
| 1137 | I | 85.2 | Confident | 78 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 179 | -65.3 | 171.2 | 0 | 0 | 0 | 110.7 | I1133 L1140 L1141 | I1133-I1137 HydrophobicContact CG2-CD1 3.82Å; I1133-I1137 WeakPolarHBondContact O-CG1 3.29Å; I1133-I1137 PolarHBondContact O-N 3.04Å; I1133-I1137 VanDerWaalsContact O-N 3.16Å; I1137-L1140 PolarHBondContact O-N 3.46Å; I1137-L1141 HydrophobicContact CG2-CD1 4.25Å; I1137-L1141 PolarHBondContact O-N 2.96Å |
| 1138 | G | 84.4 | Confident | 79.3 | Confident | 43 Ų | 43 | 95.7 Ų | 95.7 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1134 L1142 | G1134-G1138 PolarHBondContact O-N 3.49Å; G1134-G1138 VanDerWaalsContact O-N 3.09Å; G1138-L1142 PolarHBondContact O-N 2.78Å |
| 1139 | G | 82.6 | Confident | 80.5 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 42% | 0.423 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1135 I1136 L1142 L1143 | S1135-G1139 PolarHBondContact O-N 3.4Å; I1136-G1139 PolarHBondContact O-N 3.31Å; G1139-L1142 PolarHBondContact O-N 3.36Å; G1139-L1143 PolarHBondContact O-N 2.75Å |
| 1140 | L | 86.3 | Confident | 81.3 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 178.6 | -78.6 | 168.1 | 0 | 0 | 0 | 112.7 | I1136 I1137 L1143 A1144 | I1136-L1140 HydrophobicContact CG2-CD1 4.16Å; I1136-L1140 PolarHBondContact O-N 3.06Å; I1136-L1140 VanDerWaalsContact O-N 3.08Å; I1137-L1140 PolarHBondContact O-N 3.46Å; L1140-L1143 PolarHBondContact O-N 3.37Å; L1140-A1144 PolarHBondContact O-N 3.44Å |
| 1141 | L | 86.8 | Confident | 81.7 | Confident | 122 Ų | 122 | 92.3 Ų | 92.3 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 175.9 | -89.4 | 162.6 | 0 | 0 | 0 | 112.2 | I1137 L1145 | I1137-L1141 HydrophobicContact CG2-CD1 4.25Å; I1137-L1141 PolarHBondContact O-N 2.96Å; L1141-L1145 PolarHBondContact O-N 3.36Å; L1141-L1145 VanDerWaalsContact O-N 3.15Å |
| 1142 | L | 85.7 | Confident | 82.1 | Confident | 110 Ų | 110 | 94.4 Ų | 94.4 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 175.8 | -169.9 | 79.7 | 0 | 0 | 0 | 111.5 | G1138 G1139 L1145 I1146 | G1138-L1142 PolarHBondContact O-N 2.78Å; G1139-L1142 PolarHBondContact O-N 3.36Å; L1142-L1145 WeakPolarHBondContact O-CB 3.04Å; L1142-L1145 PolarHBondContact O-N 3.05Å; L1142-I1146 HydrophobicContact CG-CD1 4.22Å; L1142-I1146 WeakPolarHBondContact O-CG1 3.45Å; L1142-I1146 PolarHBondContact O-N 3.36Å |
| 1143 | L | 85.5 | Confident | 82.6 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.7 | -170.3 | 78.6 | 0 | 0 | 0 | 111.7 | G1139 L1140 L1145 I1146 I1147 | G1139-L1143 PolarHBondContact O-N 2.75Å; L1140-L1143 PolarHBondContact O-N 3.37Å; L1143-L1145 VanDerWaalsContact C-N 3.32Å; L1143-L1145 PolarHBondContact O-N 3.37Å; L1143-I1146 PolarHBondContact O-N 3.18Å; L1143-I1147 HydrophobicContact CD2-CD1 4.44Å; L1143-I1147 HydrophobicContact CG-CD1 4.13Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.78Å |
| 1144 | A | 85.3 | Confident | 82 | Confident | 58 Ų | 58 | 94.4 Ų | 94.4 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1140 I1147 F1148 | L1140-A1144 PolarHBondContact O-N 3.44Å; A1144-I1147 PolarHBondContact O-N 3.08Å; A1144-F1148 WeakPolarHBondContact O-CB 3.28Å; A1144-F1148 PolarHBondContact O-N 2.77Å |
| 1145 | L | 85.5 | Confident | 81.7 | Confident | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.9 | -168.4 | 88.4 | 0 | 0 | 0 | 111.5 | L1141 L1142 L1143 F1148 I1149 | L1141-L1145 PolarHBondContact O-N 3.36Å; L1141-L1145 VanDerWaalsContact O-N 3.15Å; L1142-L1145 WeakPolarHBondContact O-CB 3.04Å; L1142-L1145 PolarHBondContact O-N 3.05Å; L1143-L1145 VanDerWaalsContact C-N 3.32Å; L1143-L1145 PolarHBondContact O-N 3.37Å; L1145-F1148 PolarHBondContact O-N 2.94Å; L1145-I1149 HydrophobicContact CD2-CD1 4.34Å; L1145-I1149 HydrophobicContact CG-CD1 4.2Å; L1145-I1149 VanDerWaalsContact O-CG1 3.31Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.4Å; L1145-I1149 PolarHBondContact O-N 3.2Å |
| 1146 | I | 83.9 | Confident | 81.5 | Confident | 78 Ų | 78 | 102.4 Ų | 102.4 | 40% | 0.4 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 179 | -68.2 | 168.2 | 0 | 0 | 0 | 111 | L1142 L1143 F1148 I1149 L1150 | L1142-I1146 HydrophobicContact CG-CD1 4.22Å; L1142-I1146 WeakPolarHBondContact O-CG1 3.45Å; L1142-I1146 PolarHBondContact O-N 3.36Å; L1143-I1146 PolarHBondContact O-N 3.18Å; I1146-F1148 VanDerWaalsContact C-N 3.31Å; I1146-F1148 PolarHBondContact O-N 3.16Å; I1146-I1149 PolarHBondContact O-N 3.36Å; I1146-L1150 HydrophobicContact CG2-CD1 3.84Å; I1146-L1150 HydrophobicContact CG2-CG 4.36Å; I1146-L1150 WeakPolarHBondContact O-CG 3.47Å; I1146-L1150 PolarHBondContact O-N 3.47Å |
| 1147 | I | 82.6 | Confident | 80.6 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -42.5 | 177.2 | -67.9 | 169.1 | 0 | 0 | 0 | 110.7 | L1143 A1144 I1149 L1150 W1151 | L1143-I1147 HydrophobicContact CD2-CD1 4.44Å; L1143-I1147 HydrophobicContact CG-CD1 4.13Å; L1143-I1147 WeakPolarHBondContact O-CG1 3.48Å; L1143-I1147 PolarHBondContact O-N 2.78Å; A1144-I1147 PolarHBondContact O-N 3.08Å; I1147-I1149 PolarHBondContact O-N 2.85Å; I1147-L1150 PolarHBondContact O-N 3.48Å; I1147-W1151 WeakPolarHBondContact O-CB 3.46Å; I1147-W1151 PolarHBondContact O-N 2.98Å |
| 1148 | F | 83.3 | Confident | 78.9 | Confident | 128 Ų | 128 | 110.8 Ų | 110.8 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.7 | -42.2 | 176.9 | -178.1 | -99.8 | 0 | 0 | 0 | 112.3 | A1144 L1145 I1146 W1151 K1152 | A1144-F1148 WeakPolarHBondContact O-CB 3.28Å; A1144-F1148 PolarHBondContact O-N 2.77Å; L1145-F1148 PolarHBondContact O-N 2.94Å; I1146-F1148 VanDerWaalsContact C-N 3.31Å; I1146-F1148 PolarHBondContact O-N 3.16Å; F1148-W1151 PolarHBondContact O-N 2.93Å; F1148-K1152 WeakPolarHBondContact O-CB 3.43Å; F1148-K1152 PolarHBondContact O-N 3.41Å |
| 1149 | I | 83.3 | Confident | 77.1 | Confident | 83 Ų | 83 | 118.8 Ų | 118.8 | 43% | 0.426 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -46 | 175.8 | -69.3 | 167.5 | 0 | 0 | 0 | 110.9 | L1145 I1146 I1147 W1151 K1152 L1153 | L1145-I1149 HydrophobicContact CD2-CD1 4.34Å; L1145-I1149 HydrophobicContact CG-CD1 4.2Å; L1145-I1149 VanDerWaalsContact O-CG1 3.31Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.4Å; L1145-I1149 PolarHBondContact O-N 3.2Å; I1146-I1149 PolarHBondContact O-N 3.36Å; I1147-I1149 PolarHBondContact O-N 2.85Å; I1149-W1151 PolarHBondContact O-N 3.18Å; I1149-K1152 PolarHBondContact O-N 3.28Å; I1149-L1153 HydrophobicContact CG2-CD1 3.83Å; I1149-L1153 WeakPolarHBondContact O-CG 3.34Å; I1149-L1153 PolarHBondContact O-N 3.45Å; I1149-L1153 VanDerWaalsContact O-N 3.08Å |
| 1150 | L | 81.1 | Confident | 75.3 | Confident | 67 Ų | 67 | 125 Ų | 125 | 35% | 0.351 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.4 | -36.5 | 179.6 | -71.6 | 170.9 | 0 | 0 | 0 | 112.8 | I1146 I1147 F1155 F1156 | I1146-L1150 HydrophobicContact CG2-CD1 3.84Å; I1146-L1150 HydrophobicContact CG2-CG 4.36Å; I1146-L1150 WeakPolarHBondContact O-CG 3.47Å; I1146-L1150 PolarHBondContact O-N 3.47Å; I1147-L1150 PolarHBondContact O-N 3.48Å; L1150-F1155 PolarHBondContact O-N 2.92Å; L1150-F1156 HydrophobicContact CB-CE2 4.08Å |
| 1151 | W | 79.3 | Confident | 72.9 | Confident | 173 Ų | 173 | 130.1 Ų | 130.1 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.8 | -43.9 | 173.6 | -179.5 | 73.9 | 0 | 0 | 0 | 111.8 | I1147 F1148 I1149 L1153 G1154 | I1147-W1151 WeakPolarHBondContact O-CB 3.46Å; I1147-W1151 PolarHBondContact O-N 2.98Å; F1148-W1151 PolarHBondContact O-N 2.93Å; I1149-W1151 PolarHBondContact O-N 3.18Å; W1151-L1153 VanDerWaalsContact C-N 3.25Å; W1151-L1153 PolarHBondContact O-N 3.13Å; W1151-G1154 PolarHBondContact O-N 3.36Å; W1151-G1154 VanDerWaalsContact O-N 3.11Å |
| 1152 | K | 80.4 | Confident | 70.7 | Confident | 164 Ų | 164 | 129.7 Ų | 129.7 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.4 | -20.9 | -179.4 | -143.1 | -117.1 | -175.6 | -178 | 0 | 113.5 | F1148 I1149 G1154 | F1148-K1152 WeakPolarHBondContact O-CB 3.43Å; F1148-K1152 PolarHBondContact O-N 3.41Å; I1149-K1152 PolarHBondContact O-N 3.28Å; K1152-G1154 VanDerWaalsContact C-N 3.32Å |
| 1153 | L | 78.2 | Confident | 68.6 | Low | 132 Ų | 132 | 130.8 Ų | 130.8 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 3.5 | 173.4 | -70.7 | 170.1 | 0 | 0 | 0 | 113.7 | I1149 W1151 | I1149-L1153 HydrophobicContact CG2-CD1 3.83Å; I1149-L1153 WeakPolarHBondContact O-CG 3.34Å; I1149-L1153 PolarHBondContact O-N 3.45Å; I1149-L1153 VanDerWaalsContact O-N 3.08Å; W1151-L1153 VanDerWaalsContact C-N 3.25Å; W1151-L1153 PolarHBondContact O-N 3.13Å |
| 1154 | G | 65.4 | Low | 66.4 | Low | 45 Ų | 45 | 133.4 Ų | 133.4 | 46% | 0.464 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.6 | 18.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W1151 K1152 F1156 | W1151-G1154 PolarHBondContact O-N 3.36Å; W1151-G1154 VanDerWaalsContact O-N 3.11Å; K1152-G1154 VanDerWaalsContact C-N 3.32Å; G1154-F1156 VanDerWaalsContact C-N 3.27Å; G1154-F1156 PolarHBondContact O-N 3.29Å |
| 1155 | F | 71.4 | Confident | 64.3 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -13.9 | -172.7 | -150.1 | -96.5 | 0 | 0 | 0 | 114.6 | L1150 | L1150-F1155 PolarHBondContact O-N 2.92Š|
| 1156 | F | 72.5 | Confident | 62.1 | Low | 142 Ų | 142 | 138.6 Ų | 138.6 | 62% | 0.623 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 16.2 | -170.9 | -64.2 | -73.6 | 0 | 0 | 0 | 115.7 | L1150 G1154 | L1150-F1156 HydrophobicContact CB-CE2 4.08Å; G1154-F1156 VanDerWaalsContact C-N 3.27Å; G1154-F1156 PolarHBondContact O-N 3.29Å |
| 1157 | T | 63.7 | Low | 60.2 | Low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 67% | 0.665 | S | S | * | * | trans | -114.3 | 99.5 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1158 | R | 49 | Very low | 58 | Low | 243 Ų | 243 | 149.2 Ų | 149.2 | 92% | 0.917 | 70% | 0.702 | S | S | * | * | trans | -126.2 | 128.2 | 161.5 | -161.4 | 174.8 | -176.1 | 179.7 | 0.1 | 110.7 | ||||
| 1159 | K | 47.1 | Very low | 56.7 | Low | 211 Ų | 211 | 150.3 Ų | 150.3 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | trans | -71.1 | 134 | 174.3 | -81.2 | 176.1 | 171.6 | 177.7 | 0 | 110.3 | ||||
| 1160 | H | 45.1 | Very low | 55.3 | Low | 170 Ų | 170 | 153.8 Ų | 153.8 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | trans | -118.8 | 143.1 | 175.6 | -164.7 | -72.1 | 0 | 0 | 0 | 109.2 | ||||
| 1161 | R | 35.4 | Very low | 53.9 | Low | 220 Ų | 220 | 158.6 Ų | 158.6 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | 171 | 139.3 | 154.8 | -101 | -167.8 | 124.3 | 172.1 | -4.7 | 107.7 | ||||
| 1162 | E | 41.7 | Very low | 52.4 | Low | 113 Ų | 113 | 157.8 Ų | 157.8 | 53% | 0.528 | 75% | 0.75 | S | S | . | * | cis | 179 | 169.2 | -13.8 | -129.5 | 166.9 | -159.4 | 0 | 0 | 105.2 | ||||
| 1163 | D | 40.1 | Very low | 50.7 | Low | 134 Ų | 134 | 157.4 Ų | 157.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 86.8 | 133.5 | 164.9 | -50.3 | -18.7 | 0 | 0 | 0 | 116.9 | ||||
| 1164 | E | 40.8 | Very low | 48.8 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -178.7 | 148 | -14 | -123.5 | -179.1 | 174.6 | 0 | 0 | 105.7 | ||||
| 1165 | N | 40.1 | Very low | 47.6 | Very low | 123 Ų | 123 | 167.2 Ų | 167.2 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | trans | 64.4 | 145.5 | 149.7 | -56.2 | -24.9 | 0 | 0 | 0 | 118.7 | ||||
| 1166 | Q | 39.4 | Very low | 45.8 | Very low | 148 Ų | 148 | 167.6 Ų | 167.6 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | -169.6 | 151.4 | 9.6 | -127.4 | 170.1 | -43.6 | 0 | 0 | 108.2 | ||||
| 1167 | E | 44.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 169.8 Ų | 169.8 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 30.4 | 118 | 148.2 | -65.3 | 164.4 | 153 | 0 | 0 | 118.8 | ||||
| 1168 | D | 35.8 | Very low | 41.8 | Very low | 238 Ų | 238 | 173.5 Ų | 173.5 | 100% | 1.273 | 80% | 0.797 | S | S | * | * | -176.1 | 0 | 75.8 | -103.2 | -22.7 | 0 | 0 | 0 | 109.6 |
Retrieved 1,168 of 1,168 residues in 7594 ms
(Link to these results)