| 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 | 47.9 | Very low | 47.3 | Very low | 205 Ų | 205 | 115.8 Ų | 115.8 | 100% | 1.01 | 62% | 0.621 | S | S | * | * | 0 | -75.7 | 0 | -76.3 | 178.1 | 172.3 | 0 | 0 | 112 | L3 C4 F5 | M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.3Å; M1-L3 VanDerWaalsContact O-N 3.08Å; M1-C4 CarbonylContact O-C 3.5Å; M1-C4 WeakPolarHBondContact O-CA 3.44Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.08Å; M1-C4 PolarHBondContact O-N 2.57Å; M1-F5 PolarHBondContact O-N 3.46Å | |||
| 2 | V | 49.4 | Very low | 46.1 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -47.3 | -45.7 | -172.1 | -174.7 | 0 | 0 | 0 | 0 | 114.5 | C4 F5 L6 | V2-C4 PolarHBondContact O-N 3.39Å; V2-F5 WeakPolarHBondContact O-CB 3.2Å; V2-F5 PolarHBondContact O-N 3.4Å; V2-F5 VanDerWaalsContact O-N 3.1Å; V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 PolarHBondContact O-N 2.9Å |
| 3 | L | 44.7 | Very low | 45 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 72% | 0.723 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.3 | -39 | 177.6 | -160 | 74.9 | 0 | 0 | 0 | 113 | M1 F5 L6 V7 | M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.3Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-F5 VanDerWaalsContact C-N 3.3Å; L3-L6 PolarHBondContact O-N 3.29Å; L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.12Å |
| 4 | C | 47.3 | Very low | 44.2 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.2 | -32.7 | 172.4 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | M1 V2 V7 L8 | M1-C4 CarbonylContact O-C 3.5Å; M1-C4 WeakPolarHBondContact O-CA 3.44Å; M1-C4 VanDerWaalsContact O-CB 3.32Å; M1-C4 WeakPolarHBondContact O-CB 3.08Å; M1-C4 PolarHBondContact O-N 2.57Å; V2-C4 PolarHBondContact O-N 3.39Å; C4-V7 PolarHBondContact O-N 3.15Å; C4-L8 VanDerWaalsContact O-CB 3.31Å; C4-L8 WeakPolarHBondContact O-CB 3.33Å; C4-L8 PolarHBondContact O-N 2.84Å |
| 5 | F | 50.9 | Low | 44 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.6 | -37.8 | 177.1 | -147.9 | -93.3 | 0 | 0 | 0 | 111.3 | M1 V2 L3 L8 I9 | M1-F5 PolarHBondContact O-N 3.46Å; V2-F5 WeakPolarHBondContact O-CB 3.2Å; V2-F5 PolarHBondContact O-N 3.4Å; V2-F5 VanDerWaalsContact O-N 3.1Å; L3-F5 VanDerWaalsContact C-N 3.3Å; F5-L8 PolarHBondContact O-N 3.28Å; F5-I9 HydrophobicContact CD1-CD1 3.72Å; F5-I9 HydrophobicContact CD1-CG1 4.34Å; F5-I9 HydrophobicContact CE1-CD1 4Å; F5-I9 WeakPolarHBondContact O-CB 3.21Å; F5-I9 VanDerWaalsContact O-CG1 3.27Å; F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 3.44Å |
| 6 | L | 52.7 | Low | 44.1 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.5 | -39 | 171.2 | -73 | 167.3 | 0 | 0 | 0 | 112.4 | V2 L3 I9 A10 | V2-L6 HydrophobicContact CG1-CD1 4.18Å; V2-L6 PolarHBondContact O-N 2.9Å; L3-L6 PolarHBondContact O-N 3.29Å; L6-I9 PolarHBondContact O-N 3.13Å; L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.24Å |
| 7 | V | 51.4 | Low | 44.4 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.6 | -39.6 | 171.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | L3 C4 A10 F11 | L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.12Å; C4-V7 PolarHBondContact O-N 3.15Å; V7-A10 CarbonylContact O-C 3.56Å; V7-A10 PolarHBondContact O-N 3.11Å; V7-F11 HydrophobicContact CG1-CD2 4.07Å; V7-F11 HydrophobicContact CG1-CE2 4.33Å; V7-F11 WeakPolarHBondContact O-CD2 3.45Å; V7-F11 PolarHBondContact O-N 3.19Å |
| 8 | L | 45.8 | Very low | 45.1 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.8 | -41.7 | 172.2 | -95.2 | 155.4 | 0 | 0 | 0 | 111.8 | C4 F5 A10 F11 L12 | C4-L8 VanDerWaalsContact O-CB 3.31Å; C4-L8 WeakPolarHBondContact O-CB 3.33Å; C4-L8 PolarHBondContact O-N 2.84Å; F5-L8 PolarHBondContact O-N 3.28Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.19Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 PolarHBondContact O-N 3.15Å; L8-F11 VanDerWaalsContact O-N 3.13Å; L8-L12 HydrophobicContact CD2-CD1 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.47Å |
| 9 | I | 49.4 | Very low | 46.4 | Very low | 92 Ų | 92 | 102.8 Ų | 102.8 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -38.4 | 173.9 | -71.5 | 164.8 | 0 | 0 | 0 | 111 | F5 L6 F11 L12 S13 | F5-I9 HydrophobicContact CD1-CD1 3.72Å; F5-I9 HydrophobicContact CD1-CG1 4.34Å; F5-I9 HydrophobicContact CE1-CD1 4Å; F5-I9 WeakPolarHBondContact O-CB 3.21Å; F5-I9 VanDerWaalsContact O-CG1 3.27Å; F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 3.44Å; L6-I9 PolarHBondContact O-N 3.13Å; I9-F11 VanDerWaalsContact C-N 3.27Å; I9-F11 PolarHBondContact O-N 3.2Å; I9-L12 CarbonylContact O-C 3.54Å; I9-L12 PolarHBondContact O-N 2.81Å; I9-L12 VanDerWaalsContact O-N 3.15Å; I9-S13 PolarHBondContact O-N 2.89Å |
| 10 | A | 41.9 | Very low | 48.3 | Very low | 67 Ų | 67 | 97.8 Ų | 97.8 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.8 | -13.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L6 V7 L8 S13 | L6-A10 WeakPolarHBondContact O-CB 3.49Å; L6-A10 PolarHBondContact O-N 3.24Å; V7-A10 CarbonylContact O-C 3.56Å; V7-A10 PolarHBondContact O-N 3.11Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.19Å; A10-S13 PolarHBondContact O-OG 3.06Å; A10-S13 VanDerWaalsContact O-OG 3.05Å |
| 11 | F | 38.9 | Very low | 50.2 | Low | 160 Ų | 160 | 93.5 Ų | 93.5 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -98.8 | -14.2 | 166.9 | -92.4 | -92.7 | 0 | 0 | 0 | 112.8 | V7 L8 I9 | V7-F11 HydrophobicContact CG1-CD2 4.07Å; V7-F11 HydrophobicContact CG1-CE2 4.33Å; V7-F11 WeakPolarHBondContact O-CD2 3.45Å; V7-F11 PolarHBondContact O-N 3.19Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 PolarHBondContact O-N 3.15Å; L8-F11 VanDerWaalsContact O-N 3.13Å; I9-F11 VanDerWaalsContact C-N 3.27Å; I9-F11 PolarHBondContact O-N 3.2Å |
| 12 | L | 32.4 | Very low | 52.2 | Low | 109 Ų | 109 | 86.9 Ų | 86.9 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -96.8 | -5.8 | 175.5 | -76.9 | 163.9 | 0 | 0 | 0 | 113 | L8 I9 Q14 | L8-L12 HydrophobicContact CD2-CD1 4.42Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 3.47Å; I9-L12 CarbonylContact O-C 3.54Å; I9-L12 PolarHBondContact O-N 2.81Å; I9-L12 VanDerWaalsContact O-N 3.15Å; L12-Q14 PolarHBondContact O-N 3.47Å |
| 13 | S | 32.2 | Very low | 54.3 | Low | 87 Ų | 87 | 82.5 Ų | 82.5 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -66.8 | 59.2 | 140 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | I9 A10 S15 | I9-S13 PolarHBondContact O-N 2.89Å; A10-S13 PolarHBondContact O-OG 3.06Å; A10-S13 VanDerWaalsContact O-OG 3.05Å; S13-S15 PolarHBondContact O-N 2.9Å |
| 14 | Q | 34.5 | Very low | 56.5 | Low | 134 Ų | 134 | 80.3 Ų | 80.3 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | trans | -57.2 | 133.9 | 164 | -69.9 | 174.8 | -5.2 | 0 | 0 | 106.6 | L12 L16 | L12-Q14 PolarHBondContact O-N 3.47Å; Q14-L16 PolarHBondContact O-N 2.86Å | ||
| 15 | S | 40 | Very low | 58.7 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | trans | -53.7 | 114.2 | 165 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | S13 S17 | S13-S15 PolarHBondContact O-N 2.9Å; S15-S17 PolarHBondContact O-N 3.26Å | ||
| 16 | L | 46.2 | Very low | 60.8 | Low | 121 Ų | 121 | 77.7 Ų | 77.7 | 63% | 0.634 | 42% | 0.422 | S | S | * | . | trans | -55.4 | 119.3 | 171.5 | -82.5 | 81 | 0 | 0 | 0 | 106.4 | Q14 V18 | Q14-L16 PolarHBondContact O-N 2.86Å; L16-V18 WeakPolarHBondContact O-CG2 3.3Å; L16-V18 PolarHBondContact O-N 3.27Å | ||
| 17 | S | 49 | Very low | 62.7 | Low | 74 Ų | 74 | 80.5 Ų | 80.5 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | trans | -77.5 | 94 | -169.9 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | S15 | S15-S17 PolarHBondContact O-N 3.26Š| ||
| 18 | V | 57.8 | Low | 64.6 | Low | 35 Ų | 35 | 80.1 Ų | 80.1 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | trans | -78.5 | 146.2 | -165.6 | -119.6 | 0 | 0 | 0 | 0 | 113.1 | L16 Y20 Q78 | L16-V18 WeakPolarHBondContact O-CG2 3.3Å; L16-V18 PolarHBondContact O-N 3.27Å; V18-Y20 HydrophobicContact CB-CD1 3.67Å; V18-Y20 HydrophobicContact CB-CE1 3.72Å; V18-Y20 HydrophobicContact CG1-CD1 3.69Å; V18-Y20 HydrophobicContact CG1-CE1 3.6Å; V18-Y20 HydrophobicContact CG2-CD1 4.38Å; V18-Y20 HydrophobicContact CG2-CE1 3.99Å; V18-Y20 PolarHBondContact O-N 3.32Å; V18-Y20 VanDerWaalsContact O-N 3.13Å; V18-Q78 PolarHBondContact O-OE1 3.3Å | ||
| 19 | S | 69.7 | Low | 66.9 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 28% | 0.28 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -79.1 | 15.4 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | K526 K568 | S19-K526 WeakPolarHBondContact O-CE 3.25Å; S19-K526 PolarHBondContact O-NZ 3.46Å; S19-K568 PolarHBondContact OG-O 3.44Å |
| 20 | Y | 83.1 | Confident | 69 | Low | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -134.6 | 159.5 | -177.7 | 80.8 | -88.9 | 0 | 0 | 0 | 111.9 | V18 K22 N76 Q78 L422 | V18-Y20 HydrophobicContact CB-CD1 3.67Å; V18-Y20 HydrophobicContact CB-CE1 3.72Å; V18-Y20 HydrophobicContact CG1-CD1 3.69Å; V18-Y20 HydrophobicContact CG1-CE1 3.6Å; V18-Y20 HydrophobicContact CG2-CD1 4.38Å; V18-Y20 HydrophobicContact CG2-CE1 3.99Å; V18-Y20 PolarHBondContact O-N 3.32Å; V18-Y20 VanDerWaalsContact O-N 3.13Å; Y20-K22 HydrophobicContact CD2-CB 4.26Å; Y20-K22 HydrophobicContact CE2-CB 3.73Å; Y20-K22 HydrophobicContact CE2-CD 4.35Å; Y20-N76 PolarHBondContact O-ND2 3.37Å; Y20-N76 PolarHBondContact O-OD1 3.2Å; Y20-Q78 PolarHBondContact O-NE2 2.68Å; Y20-L422 HydrophobicContact CD1-CD1 4.09Å; Y20-L422 HydrophobicContact CD1-CD2 3.75Å; Y20-L422 HydrophobicContact CD1-CG 4.35Å; Y20-L422 HydrophobicContact CD2-CB 4.44Å; Y20-L422 HydrophobicContact CE1-CB 4.42Å; Y20-L422 HydrophobicContact CE1-CD2 3.68Å; Y20-L422 HydrophobicContact CE2-CB 4.33Å; Y20-L422 HydrophobicContact CG-CD1 4.05Å; Y20-L422 HydrophobicContact CG-CD2 4.45Å |
| 21 | L | 88.6 | Confident | 71.2 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | trans | -107.5 | 137.9 | 177.3 | -71.7 | 169.4 | 0 | 0 | 0 | 111.6 | V75 N76 Q78 L82 V150 T152 N156 I158 | L21-V75 HydrophobicContact CD2-CB 4.15Å; L21-V75 HydrophobicContact CD2-CG1 4.37Å; L21-V75 HydrophobicContact CD2-CG2 3.86Å; L21-N76 WeakPolarHBondContact CA-OD1 3.34Å; L21-Q78 HydrophobicContact CD2-CG 3.94Å; L21-L82 HydrophobicContact CD2-CD2 3.93Å; L21-V150 HydrophobicContact CD1-CG1 4.47Å; L21-V150 HydrophobicContact CD2-CG1 4.2Å; L21-T152 HydrophobicContact CD1-CG2 4.25Å; L21-T152 HydrophobicContact CD2-CG2 4.13Å; L21-T152 HydrophobicContact CG-CG2 4.33Å; L21-N156 VanDerWaalsContact CD1-O 3.23Å; L21-N156 WeakPolarHBondContact CD1-O 3.22Å; L21-I158 HydrophobicContact CB-CD1 3.81Å; L21-I158 HydrophobicContact CB-CG1 3.99Å; L21-I158 HydrophobicContact CB-CG2 4.29Å; L21-I158 HydrophobicContact CD1-CG1 4.48Å | ||
| 22 | K | 90.4 | Very high | 73.6 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | trans | -149.5 | 135.2 | 175.4 | 156.8 | -172.4 | 175.1 | 169.1 | 0 | 108.3 | Y20 V75 N76 E421 | Y20-K22 HydrophobicContact CD2-CB 4.26Å; Y20-K22 HydrophobicContact CE2-CB 3.73Å; Y20-K22 HydrophobicContact CE2-CD 4.35Å; K22-V75 CarbonylContact O-C 3.4Å; K22-V75 WeakPolarHBondContact O-CA 3.48Å; K22-V75 WeakPolarHBondContact O-CB 3.39Å; K22-N76 PolarHBondContact N-OD1 2.79Å; K22-N76 PolarHBondContact O-N 3.28Å; K22-N76 VanDerWaalsContact O-N 3.07Å; K22-N76 PolarHBondContact O-OD1 3Å; K22-E421 HydrophobicContact CD-CB 4.35Å; K22-E421 VanDerWaalsContact CD-CD 3.48Å; K22-E421 HydrophobicContact CD-CG 4.18Å; K22-E421 WeakPolarHBondContact CD-OE2 3.24Å; K22-E421 WeakPolarHBondContact CE-OE1 3.34Å; K22-E421 WeakPolarHBondContact CE-OE2 3.41Å; K22-E421 IonicContact NZ-OE1 3.31Å; K22-E421 PolarHBondContact NZ-OE1 3.5Å; K22-E421 IonicContact NZ-OE2 3.46Å; K22-E421 PolarHBondContact NZ-OE2 2.78Å | ||
| 23 | F | 93.5 | Very high | 76.3 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 134.2 | 172.7 | -64.1 | -59 | 0 | 0 | 0 | 112 | A48 H74 V75 V150 I158 | F23-A48 HydrophobicContact CB-CB 3.89Å; F23-A48 HydrophobicContact CD1-CB 3.27Å; F23-A48 HydrophobicContact CD2-CB 4.04Å; F23-A48 WeakPolarHBondContact CD2-O 3.49Å; F23-A48 HydrophobicContact CE1-CB 3.7Å; F23-A48 HydrophobicContact CE2-CB 4.41Å; F23-A48 HydrophobicContact CG-CB 3.46Å; F23-A48 VanDerWaalsContact CG-CB 3.46Å; F23-A48 HydrophobicContact CZ-CB 4.26Å; F23-H74 CarbonylContact C-O 3.58Å; F23-H74 VanDerWaalsContact CA-O 3.29Å; F23-H74 WeakPolarHBondContact CA-O 3.05Å; F23-V75 HydrophobicContact CD1-CG1 3.7Å; F23-V75 HydrophobicContact CE1-CG1 4.04Å; F23-V150 HydrophobicContact CE1-CB 4.4Å; F23-V150 HydrophobicContact CE1-CG2 4.03Å; F23-I158 HydrophobicContact CD1-CD1 3.81Å; F23-I158 HydrophobicContact CD2-CD1 3.85Å; F23-I158 HydrophobicContact CE1-CD1 3.71Å; F23-I158 HydrophobicContact CE1-CG1 3.97Å; F23-I158 HydrophobicContact CE2-CB 4.1Å; F23-I158 HydrophobicContact CE2-CD1 3.72Å; F23-I158 HydrophobicContact CE2-CG1 3.95Å; F23-I158 HydrophobicContact CG-CD1 3.89Å; F23-I158 HydrophobicContact CZ-CB 4.13Å; F23-I158 HydrophobicContact CZ-CD1 3.67Å; F23-I158 HydrophobicContact CZ-CG1 3.62Å |
| 24 | E | 91.9 | Very high | 79.1 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 43% | 0.425 | 38% | 0.382 | S | S | . | . | trans | -85.4 | 141.5 | -178.8 | -169.4 | 177.4 | -176.2 | 0 | 0 | 112.4 | I26 H74 | E24-I26 HydrophobicContact CB-CD1 4.27Å; E24-I26 HydrophobicContact CG-CD1 4.27Å; E24-I26 PolarHBondContact O-N 3.41Å; E24-H74 PolarHBondContact N-O 3.01Å | ||
| 25 | K | 92.9 | Very high | 81.8 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | trans | -77.6 | 97.2 | 169.4 | -87.1 | -166.9 | 169.6 | -143.8 | 0 | 111 | N27 E31 S49 | K25-N27 PolarHBondContact O-N 3.44Å; K25-E31 IonicContact NZ-OE1 3.24Å; K25-E31 PolarHBondContact NZ-OE1 3.3Å; K25-S49 WeakPolarHBondContact CG-OG 3.4Å | ||
| 26 | I | 93.7 | Very high | 84.1 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | trans | -72.3 | 124.1 | 179.2 | -56.2 | -54.2 | 0 | 0 | 0 | 111.5 | E24 G28 A29 L45 D47 A72 H74 | E24-I26 HydrophobicContact CB-CD1 4.27Å; E24-I26 HydrophobicContact CG-CD1 4.27Å; E24-I26 PolarHBondContact O-N 3.41Å; I26-G28 PolarHBondContact O-N 2.78Å; I26-A29 HydrophobicContact CB-CB 4.42Å; I26-A29 VanDerWaalsContact O-CB 3.32Å; I26-A29 WeakPolarHBondContact O-CB 3.22Å; I26-A29 PolarHBondContact O-N 2.76Å; I26-A29 VanDerWaalsContact O-N 3.07Å; I26-L45 HydrophobicContact CG2-CD2 3.99Å; I26-D47 HydrophobicContact CB-CB 4.25Å; I26-D47 HydrophobicContact CG1-CB 4.28Å; I26-A72 HydrophobicContact CG1-CB 3.96Å; I26-H74 HydrophobicContact CD1-CB 3.87Å; I26-H74 HydrophobicContact CG1-CB 4.35Å | ||
| 27 | N | 92.5 | Very high | 86.3 | Confident | 159 Ų | 159 | 54.9 Ų | 54.9 | 85% | 0.85 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 122.8 | 176.7 | -75.8 | -60.3 | 0 | 0 | 0 | 111.5 | K25 | K25-N27 PolarHBondContact O-N 3.44Š|
| 28 | G | 91.5 | Very high | 88.1 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 74% | 0.742 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I26 | I26-G28 PolarHBondContact O-N 2.78Š|
| 29 | A | 94.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | trans | -69.2 | 151.6 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | I26 L45 D47 | I26-A29 HydrophobicContact CB-CB 4.42Å; I26-A29 VanDerWaalsContact O-CB 3.32Å; I26-A29 WeakPolarHBondContact O-CB 3.22Å; I26-A29 PolarHBondContact O-N 2.76Å; I26-A29 VanDerWaalsContact O-N 3.07Å; A29-L45 CarbonylContact C-O 3.58Å; A29-L45 WeakPolarHBondContact CA-O 3.13Å; A29-L45 HydrophobicContact CB-CD2 4.45Å; A29-L45 HydrophobicContact CB-CG 4.12Å; A29-D47 HydrophobicContact CB-CB 3.74Å | ||
| 30 | S | 93.1 | Very high | 90.3 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | trans | -86.1 | 122.5 | -179.5 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | E32 L45 R54 | S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact OG-N 3.23Å; S30-L45 PolarHBondContact N-O 3.5Å; S30-R54 PolarHBondContact O-NH1 3.33Å | ||
| 31 | E | 89.9 | Confident | 90.7 | Very high | 151 Ų | 151 | 59.4 Ų | 59.4 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -82.4 | 0.5 | 170.3 | -58.2 | -165.9 | 137 | 0 | 0 | 113.1 | K25 | K25-E31 IonicContact NZ-OE1 3.24Å; K25-E31 PolarHBondContact NZ-OE1 3.3Å | ||
| 32 | E | 89.4 | Confident | 90.8 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -68.3 | 139.2 | 176 | -64.4 | -159.1 | 125.9 | 0 | 0 | 112 | S30 I35 R54 K333 | S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact OG-N 3.23Å; E32-I35 VanDerWaalsContact O-CD1 3.22Å; E32-I35 WeakPolarHBondContact O-CD1 3.14Å; E32-R54 VanDerWaalsContact O-CD 3.27Å; E32-R54 WeakPolarHBondContact O-CD 3.31Å; E32-K333 IonicContact OE1-NZ 2.71Å; E32-K333 PolarHBondContact OE1-NZ 2.82Å; E32-K333 IonicContact OE2-NZ 3.33Å | ||
| 33 | S | 88.2 | Confident | 91 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.2 | -25 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | R54 I55 | S33-R54 WeakPolarHBondContact O-CA 3.32Å; S33-I55 PolarHBondContact O-N 2.77Å |
| 34 | L | 89.9 | Confident | 91.1 | Very high | 15 Ų | 15 | 62.1 Ų | 62.1 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 106.4 | -176.9 | -58.4 | 176.4 | 0 | 0 | 0 | 109.5 | F36 I55 Y57 N329 K330 T332 | L34-F36 HydrophobicContact CB-CE2 4.21Å; L34-I55 HydrophobicContact CD2-CB 3.92Å; L34-I55 HydrophobicContact CD2-CD1 3.99Å; L34-I55 HydrophobicContact CD2-CG1 4.21Å; L34-Y57 HydrophobicContact CD2-CE2 4.41Å; L34-N329 HydrophobicContact CD1-CB 3.8Å; L34-N329 HydrophobicContact CD2-CB 3.93Å; L34-K330 WeakPolarHBondContact CD1-O 3.27Å; L34-T332 WeakPolarHBondContact CD1-OG1 3.05Å |
| 35 | I | 92.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.5 | -178 | -57.7 | 86.8 | 0 | 0 | 0 | 109.4 | E32 A44 L46 R54 I55 V56 Y57 | E32-I35 VanDerWaalsContact O-CD1 3.22Å; E32-I35 WeakPolarHBondContact O-CD1 3.14Å; I35-A44 HydrophobicContact CG2-CB 3.94Å; I35-L46 HydrophobicContact CD1-CD1 4.45Å; I35-L46 HydrophobicContact CD1-CD2 3.92Å; I35-L46 HydrophobicContact CG1-CD2 4.2Å; I35-R54 HydrophobicContact CD1-CB 4.22Å; I35-I55 PolarHBondContact N-O 3.3Å; I35-V56 HydrophobicContact CB-CG2 4.31Å; I35-V56 HydrophobicContact CD1-CG2 4.27Å; I35-V56 WeakPolarHBondContact O-CA 3.17Å; I35-Y57 PolarHBondContact O-N 2.72Å |
| 36 | F | 89.4 | Confident | 91.6 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 103 | 174.8 | -68.2 | -95.5 | 0 | 0 | 0 | 110 | L34 Y57 A59 L215 T332 | L34-F36 HydrophobicContact CB-CE2 4.21Å; F36-Y57 HydrophobicContact CD1-CD2 4.12Å; F36-Y57 AromaticContact CD1-CG 4Å; F36-Y57 HydrophobicContact CD1-CG 4Å; F36-Y57 HydrophobicContact CE1-CD1 4.12Å; F36-Y57 AromaticContact CE1-CD2 3.72Å; F36-Y57 HydrophobicContact CE1-CD2 3.72Å; F36-Y57 HydrophobicContact CE1-CE1 4.48Å; F36-Y57 HydrophobicContact CE1-CE2 4.15Å; F36-Y57 AromaticContact CE1-CG 3.71Å; F36-Y57 HydrophobicContact CE1-CG 3.71Å; F36-Y57 HydrophobicContact CE2-CD2 4.29Å; F36-Y57 HydrophobicContact CE2-CE2 4.44Å; F36-Y57 AromaticContact CZ-CD2 3.81Å; F36-Y57 HydrophobicContact CZ-CD2 3.81Å; F36-Y57 AromaticContact CZ-CE2 3.88Å; F36-Y57 HydrophobicContact CZ-CE2 3.88Å; F36-Y57 HydrophobicContact CZ-CG 4.26Å; F36-A59 HydrophobicContact CD1-CB 4.21Å; F36-L215 HydrophobicContact CE1-CD2 4.13Å; F36-T332 HydrophobicContact CZ-CG2 4.41Å |
| 37 | L | 91.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.8 | 171.3 | -71.6 | 174.9 | 0 | 0 | 0 | 109.3 | N41 A44 V56 Y57 F58 A59 L67 L69 | L37-N41 WeakPolarHBondContact CA-O 3.39Å; L37-N41 WeakPolarHBondContact CD2-O 3.22Å; L37-A44 HydrophobicContact CD2-CB 3.69Å; L37-A44 HydrophobicContact CG-CB 4.45Å; L37-V56 HydrophobicContact CD1-CG1 3.76Å; L37-V56 HydrophobicContact CG-CG1 4.12Å; L37-Y57 PolarHBondContact N-O 2.7Å; L37-F58 HydrophobicContact CB-CD1 4.3Å; L37-F58 HydrophobicContact CD1-CD1 3.78Å; L37-F58 HydrophobicContact CD1-CD2 4.38Å; L37-F58 HydrophobicContact CD1-CE1 3.45Å; L37-F58 VanDerWaalsContact CD1-CE1 3.45Å; L37-F58 HydrophobicContact CD1-CE2 4.06Å; L37-F58 HydrophobicContact CD1-CG 4.26Å; L37-F58 HydrophobicContact CD1-CZ 3.61Å; L37-A59 PolarHBondContact O-N 3.34Å; L37-L67 HydrophobicContact CB-CD1 4.29Å; L37-L67 HydrophobicContact CB-CD2 4.46Å; L37-L69 HydrophobicContact CD1-CB 4.13Å |
| 38 | N | 87.9 | Confident | 91.8 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -152.1 | 178.8 | -177.1 | 62.9 | 45.9 | 0 | 0 | 0 | 111.2 | A40 N41 P42 Q60 | N38-A40 PolarHBondContact O-N 2.85Å; N38-A40 VanDerWaalsContact O-N 3.08Å; N38-A40 WeakPolarHBondContact OD1-CA 2.9Å; N38-A40 WeakPolarHBondContact OD1-CB 3.22Å; N38-A40 PolarHBondContact OD1-N 3.49Å; N38-N41 PolarHBondContact N-O 2.7Å; N38-N41 VanDerWaalsContact N-O 3.12Å; N38-N41 CarbonylContact O-C 3.59Å; N38-N41 PolarHBondContact O-N 2.75Å; N38-N41 VanDerWaalsContact O-N 3.09Å; N38-N41 VanDerWaalsContact O-O 3.14Å; N38-N41 PolarHBondContact OD1-N 3.39Å; N38-P42 VanDerWaalsContact O-CA 3.26Å; N38-P42 WeakPolarHBondContact O-CA 3.31Å; N38-Q60 VanDerWaalsContact CA-O 3.32Å; N38-Q60 WeakPolarHBondContact CA-O 3.34Å; N38-Q60 HydrophobicContact CB-CB 4.02Å | ||
| 39 | D | 85.5 | Confident | 91.9 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -61.3 | -18.7 | -177.5 | -63.5 | -40 | 0 | 0 | 0 | 114.9 | Q60 K61 S62 L65 | D39-Q60 PolarHBondContact OD2-NE2 2.74Å; D39-K61 WeakPolarHBondContact OD1-CA 3.21Å; D39-S62 PolarHBondContact OD1-N 3.35Å; D39-S62 VanDerWaalsContact OD2-CB 3.25Å; D39-S62 WeakPolarHBondContact OD2-CB 3.26Å; D39-S62 PolarHBondContact OD2-N 2.77Å; D39-S62 PolarHBondContact OD2-OG 2.75Å; D39-L65 HydrophobicContact CB-CD1 3.96Å |
| 40 | A | 88 | Confident | 91.8 | Very high | 83 Ų | 83 | 43 Ų | 43 | 69% | 0.686 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -91.1 | -35.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N38 P42 | N38-A40 PolarHBondContact O-N 2.85Å; N38-A40 VanDerWaalsContact O-N 3.08Å; N38-A40 WeakPolarHBondContact OD1-CA 2.9Å; N38-A40 WeakPolarHBondContact OD1-CB 3.22Å; N38-A40 PolarHBondContact OD1-N 3.49Å; A40-P42 VanDerWaalsContact C-CD 3.41Å; A40-P42 WeakPolarHBondContact O-CD 3.11Å |
| 41 | N | 90.1 | Very high | 91.6 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -118 | 71.6 | 175.3 | -66 | -18.1 | 0 | 0 | 0 | 110 | L37 N38 T43 | L37-N41 WeakPolarHBondContact CA-O 3.39Å; L37-N41 WeakPolarHBondContact CD2-O 3.22Å; N38-N41 PolarHBondContact N-O 2.7Å; N38-N41 VanDerWaalsContact N-O 3.12Å; N38-N41 CarbonylContact O-C 3.59Å; N38-N41 PolarHBondContact O-N 2.75Å; N38-N41 VanDerWaalsContact O-N 3.09Å; N38-N41 VanDerWaalsContact O-O 3.14Å; N38-N41 PolarHBondContact OD1-N 3.39Å; N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 2.71Å |
| 42 | P | 92.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | trans | -76.4 | -12.9 | -171.4 | 29.6 | -36.6 | 0 | 0 | 0 | 113.9 | N38 A40 L67 K68 | N38-P42 VanDerWaalsContact O-CA 3.26Å; N38-P42 WeakPolarHBondContact O-CA 3.31Å; A40-P42 VanDerWaalsContact C-CD 3.41Å; A40-P42 WeakPolarHBondContact O-CD 3.11Å; P42-L67 HydrophobicContact CB-CD2 4.2Å; P42-L67 CarbonylContact O-C 3.6Å; P42-L67 VanDerWaalsContact O-CA 3.31Å; P42-L67 WeakPolarHBondContact O-CA 3.22Å; P42-K68 PolarHBondContact O-N 2.86Å | ||
| 43 | T | 94.4 | Very high | 91.7 | Very high | 101 Ų | 101 | 35.9 Ų | 35.9 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.4 | -174.2 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | N41 K68 | N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 2.71Å; T43-K68 WeakPolarHBondContact CA-O 3.3Å; T43-K68 HydrophobicContact CG2-CB 4.33Å |
| 44 | A | 95.6 | Very high | 91.9 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I35 L37 K68 L69 T70 | I35-A44 HydrophobicContact CG2-CB 3.94Å; L37-A44 HydrophobicContact CD2-CB 3.69Å; L37-A44 HydrophobicContact CG-CB 4.45Å; A44-K68 PolarHBondContact N-O 3.39Å; A44-L69 HydrophobicContact CB-CD1 4.03Å; A44-T70 PolarHBondContact O-N 3.47Å |
| 45 | L | 96.7 | Very high | 92.1 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.9 | 167 | 177.4 | 61.7 | 0 | 0 | 0 | 108.2 | I26 A29 S30 T70 A72 | I26-L45 HydrophobicContact CG2-CD2 3.99Å; A29-L45 CarbonylContact C-O 3.58Å; A29-L45 WeakPolarHBondContact CA-O 3.13Å; A29-L45 HydrophobicContact CB-CD2 4.45Å; A29-L45 HydrophobicContact CB-CG 4.12Å; S30-L45 PolarHBondContact N-O 3.5Å; L45-T70 CarbonylContact C-O 3.59Å; L45-T70 WeakPolarHBondContact CA-O 3.33Å; L45-T70 HydrophobicContact CD1-CG2 3.81Å; L45-A72 HydrophobicContact CD1-CB 4.26Å |
| 46 | L | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.5 | 174.5 | -60.9 | -178.5 | 0 | 0 | 0 | 108.6 | I35 V56 L69 T70 F71 A72 I163 | I35-L46 HydrophobicContact CD1-CD1 4.45Å; I35-L46 HydrophobicContact CD1-CD2 3.92Å; I35-L46 HydrophobicContact CG1-CD2 4.2Å; L46-V56 HydrophobicContact CD1-CG2 3.68Å; L46-L69 HydrophobicContact CD1-CD1 3.91Å; L46-L69 HydrophobicContact CG-CD1 4.14Å; L46-T70 PolarHBondContact N-O 3.2Å; L46-F71 HydrophobicContact CB-CD2 4.35Å; L46-F71 CarbonylContact O-C 3.6Å; L46-F71 WeakPolarHBondContact O-CA 3.47Å; L46-A72 PolarHBondContact O-N 2.79Å; L46-I163 HydrophobicContact CB-CD1 4.2Å; L46-I163 HydrophobicContact CD1-CD1 3.81Å; L46-I163 HydrophobicContact CD1-CG1 4.28Å; L46-I163 HydrophobicContact CD1-CG2 4.04Å |
| 47 | D | 95.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156.4 | -176.5 | 66.5 | 111.2 | 0 | 0 | 0 | 111.4 | I26 A29 S49 R54 A72 | I26-D47 HydrophobicContact CB-CB 4.25Å; I26-D47 HydrophobicContact CG1-CB 4.28Å; A29-D47 HydrophobicContact CB-CB 3.74Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.03Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.18Å; D47-S49 PolarHBondContact OD1-N 2.78Å; D47-S49 VanDerWaalsContact OD1-N 3.08Å; D47-S49 PolarHBondContact OD1-OG 3.33Å; D47-R54 PolarHBondContact O-NH2 2.79Å; D47-R54 IonicContact OD2-CZ 3.13Å; D47-R54 IonicContact OD2-NH1 3.42Å; D47-R54 PolarHBondContact OD2-NH1 3.36Å; D47-R54 IonicContact OD2-NH2 2.69Å; D47-A72 CarbonylContact C-O 3.52Å; D47-A72 WeakPolarHBondContact CA-O 3.43Å |
| 48 | A | 95.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F23 A50 F71 A72 | F23-A48 HydrophobicContact CB-CB 3.89Å; F23-A48 HydrophobicContact CD1-CB 3.27Å; F23-A48 HydrophobicContact CD2-CB 4.04Å; F23-A48 WeakPolarHBondContact CD2-O 3.49Å; F23-A48 HydrophobicContact CE1-CB 3.7Å; F23-A48 HydrophobicContact CE2-CB 4.41Å; F23-A48 HydrophobicContact CG-CB 3.46Å; F23-A48 VanDerWaalsContact CG-CB 3.46Å; F23-A48 HydrophobicContact CZ-CB 4.26Å; A48-A50 PolarHBondContact O-N 2.77Å; A48-F71 HydrophobicContact CB-CE2 4.11Å; A48-F71 HydrophobicContact CB-CZ 4.31Å; A48-A72 PolarHBondContact N-O 3.47Å |
| 49 | S | 93.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 15% | 0.147 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1 | -173 | 84.4 | 0 | 0 | 0 | 0 | 115.7 | K25 D47 N51 | K25-S49 WeakPolarHBondContact CG-OG 3.4Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.03Å; D47-S49 VanDerWaalsContact OD1-CB 3.31Å; D47-S49 WeakPolarHBondContact OD1-CB 3.18Å; D47-S49 PolarHBondContact OD1-N 2.78Å; D47-S49 VanDerWaalsContact OD1-N 3.08Å; D47-S49 PolarHBondContact OD1-OG 3.33Å; S49-N51 PolarHBondContact O-N 3.31Å |
| 50 | A | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 31.3 Ų | 31.3 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | trans | -64.9 | 128.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A48 T52 N161 | A48-A50 PolarHBondContact O-N 2.77Å; A50-T52 VanDerWaalsContact C-N 3.28Å; A50-T52 PolarHBondContact O-N 2.78Å; A50-N161 WeakPolarHBondContact O-CB 3.49Å; A50-N161 PolarHBondContact O-ND2 3.05Å | ||
| 51 | N | 87.9 | Confident | 91.4 | Very high | 77 Ų | 77 | 29.3 Ų | 29.3 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -77 | -4.8 | -176.5 | -66.3 | -35.5 | 0 | 0 | 0 | 114.7 | S49 N161 P416 S519 | S49-N51 PolarHBondContact O-N 3.31Å; N51-N161 PolarHBondContact O-ND2 2.93Å; N51-P416 HydrophobicContact CB-CB 4.35Å; N51-P416 WeakPolarHBondContact ND2-CG 3.41Å; N51-S519 PolarHBondContact O-OG 2.63Å |
| 52 | T | 89.5 | Confident | 90.7 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 29% | 0.288 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -140.6 | 157.2 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | A50 R54 F412 | A50-T52 VanDerWaalsContact C-N 3.28Å; A50-T52 PolarHBondContact O-N 2.78Å; T52-R54 PolarHBondContact O-N 2.78Å; T52-F412 HydrophobicContact CG2-CB 3.95Å |
| 53 | Q | 92.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | trans | -58.3 | 134.7 | 171.7 | 171.3 | 175.8 | -19.3 | 0 | 0 | 111.7 | E162 P410 Q518 | Q53-E162 WeakPolarHBondContact CA-O 3.44Å; Q53-E162 HydrophobicContact CG-CB 4.4Å; Q53-E162 WeakPolarHBondContact CG-O 3.24Å; Q53-P410 HydrophobicContact CB-CB 4.46Å; Q53-P410 HydrophobicContact CB-CG 4.22Å; Q53-Q518 WeakPolarHBondContact CB-O 3.11Å; Q53-Q518 PolarHBondContact N-O 2.93Å | ||
| 54 | R | 93.4 | Very high | 88.4 | Confident | 11 Ų | 11 | 29 Ų | 29 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 154.6 | 171.8 | -65.5 | -175 | -70.1 | -146.3 | -17.7 | 110.5 | S30 E32 S33 I35 D47 T52 E162 I163 E164 | S30-R54 PolarHBondContact O-NH1 3.33Å; E32-R54 VanDerWaalsContact O-CD 3.27Å; E32-R54 WeakPolarHBondContact O-CD 3.31Å; S33-R54 WeakPolarHBondContact O-CA 3.32Å; I35-R54 HydrophobicContact CD1-CB 4.22Å; D47-R54 PolarHBondContact O-NH2 2.79Å; D47-R54 IonicContact OD2-CZ 3.13Å; D47-R54 IonicContact OD2-NH1 3.42Å; D47-R54 PolarHBondContact OD2-NH1 3.36Å; D47-R54 IonicContact OD2-NH2 2.69Å; T52-R54 PolarHBondContact O-N 2.78Å; R54-E162 PolarHBondContact N-O 3.47Å; R54-E162 VanDerWaalsContact N-O 3.1Å; R54-I163 WeakPolarHBondContact O-CA 3.34Å; R54-E164 PolarHBondContact O-N 3.39Å |
| 55 | I | 92.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.2 | 179.1 | -51.4 | 176.5 | 0 | 0 | 0 | 109.2 | S33 L34 I35 Y57 E164 R166 N329 | S33-I55 PolarHBondContact O-N 2.77Å; L34-I55 HydrophobicContact CD2-CB 3.92Å; L34-I55 HydrophobicContact CD2-CD1 3.99Å; L34-I55 HydrophobicContact CD2-CG1 4.21Å; I35-I55 PolarHBondContact N-O 3.3Å; I55-Y57 HydrophobicContact CB-CE2 4.26Å; I55-Y57 HydrophobicContact CG2-CD2 4.15Å; I55-Y57 HydrophobicContact CG2-CE2 3.61Å; I55-E164 CarbonylContact C-O 3.57Å; I55-E164 WeakPolarHBondContact CA-O 3.5Å; I55-E164 HydrophobicContact CG1-CB 4.21Å; I55-E164 HydrophobicContact CG2-CB 4.32Å; I55-R166 HydrophobicContact CG2-CG 4.21Å; I55-N329 VanDerWaalsContact CD1-ND2 3.3Å; I55-N329 WeakPolarHBondContact CD1-ND2 3.38Å |
| 56 | V | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.5 | 179.9 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | I35 L37 L46 F58 L69 I163 E164 R166 | I35-V56 HydrophobicContact CB-CG2 4.31Å; I35-V56 HydrophobicContact CD1-CG2 4.27Å; I35-V56 WeakPolarHBondContact O-CA 3.17Å; L37-V56 HydrophobicContact CD1-CG1 3.76Å; L37-V56 HydrophobicContact CG-CG1 4.12Å; L46-V56 HydrophobicContact CD1-CG2 3.68Å; V56-F58 HydrophobicContact CG1-CD2 4.44Å; V56-F58 HydrophobicContact CG1-CE2 4.26Å; V56-L69 HydrophobicContact CB-CD2 4.37Å; V56-L69 HydrophobicContact CG1-CD1 4.23Å; V56-L69 HydrophobicContact CG1-CD2 4.19Å; V56-L69 HydrophobicContact CG2-CD1 4.14Å; V56-L69 HydrophobicContact CG2-CD2 4.14Å; V56-I163 HydrophobicContact CG2-CG2 3.78Å; V56-E164 PolarHBondContact N-O 3.38Å; V56-R166 PolarHBondContact O-N 3.15Å |
| 57 | Y | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.4 | 172.8 | -59.6 | -106.8 | 0 | 0 | 0 | 109.2 | L34 I35 F36 L37 I55 A59 R166 W211 Q214 L215 N329 | L34-Y57 HydrophobicContact CD2-CE2 4.41Å; I35-Y57 PolarHBondContact O-N 2.72Å; F36-Y57 HydrophobicContact CD1-CD2 4.12Å; F36-Y57 AromaticContact CD1-CG 4Å; F36-Y57 HydrophobicContact CD1-CG 4Å; F36-Y57 HydrophobicContact CE1-CD1 4.12Å; F36-Y57 AromaticContact CE1-CD2 3.72Å; F36-Y57 HydrophobicContact CE1-CD2 3.72Å; F36-Y57 HydrophobicContact CE1-CE1 4.48Å; F36-Y57 HydrophobicContact CE1-CE2 4.15Å; F36-Y57 AromaticContact CE1-CG 3.71Å; F36-Y57 HydrophobicContact CE1-CG 3.71Å; F36-Y57 HydrophobicContact CE2-CD2 4.29Å; F36-Y57 HydrophobicContact CE2-CE2 4.44Å; F36-Y57 AromaticContact CZ-CD2 3.81Å; F36-Y57 HydrophobicContact CZ-CD2 3.81Å; F36-Y57 AromaticContact CZ-CE2 3.88Å; F36-Y57 HydrophobicContact CZ-CE2 3.88Å; F36-Y57 HydrophobicContact CZ-CG 4.26Å; L37-Y57 PolarHBondContact N-O 2.7Å; I55-Y57 HydrophobicContact CB-CE2 4.26Å; I55-Y57 HydrophobicContact CG2-CD2 4.15Å; I55-Y57 HydrophobicContact CG2-CE2 3.61Å; Y57-A59 PolarHBondContact O-N 2.77Å; Y57-R166 WeakPolarHBondContact CA-O 3.27Å; Y57-R166 HydrophobicContact CD1-CB 4.02Å; Y57-R166 HydrophobicContact CE1-CB 4.47Å; Y57-R166 HydrophobicContact CG-CB 4.4Å; Y57-R166 PolarHBondContact OH-NH1 3.43Å; Y57-W211 HydrophobicContact CD1-CE3 4.44Å; Y57-W211 HydrophobicContact CE1-CE3 4.33Å; Y57-Q214 PolarHBondContact OH-OE1 3.39Å; Y57-L215 HydrophobicContact CD1-CD2 4.17Å; Y57-N329 PolarHBondContact OH-ND2 3.33Å |
| 58 | F | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 93.4 | 160.9 | -72.1 | -97.9 | 0 | 0 | 0 | 106.8 | L37 V56 L67 L69 I130 L132 I165 R166 A168 V169 | L37-F58 HydrophobicContact CB-CD1 4.3Å; L37-F58 HydrophobicContact CD1-CD1 3.78Å; L37-F58 HydrophobicContact CD1-CD2 4.38Å; L37-F58 HydrophobicContact CD1-CE1 3.45Å; L37-F58 VanDerWaalsContact CD1-CE1 3.45Å; L37-F58 HydrophobicContact CD1-CE2 4.06Å; L37-F58 HydrophobicContact CD1-CG 4.26Å; L37-F58 HydrophobicContact CD1-CZ 3.61Å; V56-F58 HydrophobicContact CG1-CD2 4.44Å; V56-F58 HydrophobicContact CG1-CE2 4.26Å; F58-L67 HydrophobicContact CB-CD1 4.22Å; F58-L67 HydrophobicContact CD1-CB 3.69Å; F58-L67 HydrophobicContact CD1-CD1 3.72Å; F58-L67 HydrophobicContact CD1-CG 4.38Å; F58-L67 HydrophobicContact CE1-CB 3.85Å; F58-L67 HydrophobicContact CG-CD1 4.45Å; F58-L69 HydrophobicContact CE2-CB 4.44Å; F58-L69 HydrophobicContact CE2-CD2 4.4Å; F58-L69 HydrophobicContact CZ-CB 3.77Å; F58-I130 HydrophobicContact CZ-CG2 4.43Å; F58-L132 HydrophobicContact CB-CD1 4.2Å; F58-L132 HydrophobicContact CD1-CD1 3.47Å; F58-L132 VanDerWaalsContact CD1-CD1 3.47Å; F58-L132 HydrophobicContact CD1-CG 4.18Å; F58-L132 HydrophobicContact CE1-CD1 4.01Å; F58-L132 HydrophobicContact CE1-CG 4.22Å; F58-L132 HydrophobicContact CG-CD1 4.02Å; F58-I165 HydrophobicContact CD2-CG2 3.61Å; F58-I165 HydrophobicContact CE2-CG2 3.49Å; F58-I165 VanDerWaalsContact CE2-CG2 3.49Å; F58-R166 PolarHBondContact N-O 3.45Å; F58-A168 VanDerWaalsContact O-CB 3.32Å; F58-A168 WeakPolarHBondContact O-CB 3.35Å; F58-A168 PolarHBondContact O-N 3.29Å; F58-V169 PolarHBondContact O-N 3.04Å; F58-V169 VanDerWaalsContact O-N 3.15Å |
| 59 | A | 85.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -99.5 | -35.8 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F36 L37 Y57 Y219 | F36-A59 HydrophobicContact CD1-CB 4.21Å; L37-A59 PolarHBondContact O-N 3.34Å; Y57-A59 PolarHBondContact O-N 2.77Å; A59-Y219 HydrophobicContact CB-CD1 4.11Å; A59-Y219 HydrophobicContact CB-CE1 3.66Å; A59-Y219 VanDerWaalsContact O-CD1 3.3Å; A59-Y219 WeakPolarHBondContact O-CD1 3.26Å | ||
| 60 | Q | 81.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 34.8 Ų | 34.8 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | trans | -151 | 138.7 | 178.8 | -171.6 | -178.9 | -51.2 | 0 | 0 | 110.8 | N38 D39 L67 Y219 | N38-Q60 VanDerWaalsContact CA-O 3.32Å; N38-Q60 WeakPolarHBondContact CA-O 3.34Å; N38-Q60 HydrophobicContact CB-CB 4.02Å; D39-Q60 PolarHBondContact OD2-NE2 2.74Å; Q60-L67 WeakPolarHBondContact O-CD1 3.39Å; Q60-Y219 HydrophobicContact CB-CD1 4.09Å; Q60-Y219 HydrophobicContact CB-CE1 4.25Å | ||
| 61 | K | 76.7 | Confident | 86.7 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | trans | -143.9 | 115.7 | 176.3 | 177.6 | -178.1 | 156.2 | -172 | 0 | 111.2 | D39 L65 L67 L132 T133 V169 | D39-K61 WeakPolarHBondContact OD1-CA 3.21Å; K61-L65 WeakPolarHBondContact CG-O 3.45Å; K61-L67 HydrophobicContact CB-CD1 4.04Å; K61-L67 HydrophobicContact CB-CG 4.21Å; K61-L67 HydrophobicContact CG-CG 4.38Å; K61-L132 HydrophobicContact CD-CB 4.17Å; K61-L132 WeakPolarHBondContact CE-O 3.32Å; K61-L132 VanDerWaalsContact NZ-C 3.35Å; K61-L132 PolarHBondContact NZ-O 2.77Å; K61-T133 PolarHBondContact NZ-O 2.84Å; K61-V169 HydrophobicContact CB-CG1 4.17Å; K61-V169 HydrophobicContact CB-CG2 3.98Å; K61-V169 HydrophobicContact CD-CG1 4.47Å | ||
| 62 | S | 75.5 | Confident | 87.1 | Confident | 44 Ų | 44 | 30.5 Ų | 30.5 | 31% | 0.308 | 18% | 0.178 | S | C | . | . | trans | -102 | 117.4 | 174.4 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | D39 L65 | D39-S62 PolarHBondContact OD1-N 3.35Å; D39-S62 VanDerWaalsContact OD2-CB 3.25Å; D39-S62 WeakPolarHBondContact OD2-CB 3.26Å; D39-S62 PolarHBondContact OD2-N 2.77Å; D39-S62 PolarHBondContact OD2-OG 2.75Å; S62-L65 WeakPolarHBondContact O-CB 3.27Å; S62-L65 PolarHBondContact O-N 2.89Å | ||
| 63 | P | 67.6 | Low | 87.4 | Confident | 94 Ų | 94 | 28.3 Ų | 28.3 | 61% | 0.61 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 134.4 | 172.4 | -24.4 | 34.1 | 0 | 0 | 0 | 111.2 | Q134 | P63-Q134 HydrophobicContact CB-CG 4.48Š|
| 64 | P | 70 | Confident | 87.4 | Confident | 95 Ų | 95 | 29.8 Ų | 29.8 | 62% | 0.617 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.6 | 3.9 | 13.4 | 37.6 | -37.8 | 0 | 0 | 0 | 115.8 | G66 Q134 | P64-G66 PolarHBondContact O-N 2.8Å; P64-Q134 HydrophobicContact CB-CG 4.35Å |
| 65 | L | 75.9 | Confident | 87.5 | Confident | 75 Ų | 75 | 29.2 Ų | 29.2 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 135 | -175.3 | -61.8 | 172.1 | 0 | 0 | 0 | 111.3 | D39 K61 S62 | D39-L65 HydrophobicContact CB-CD1 3.96Å; K61-L65 WeakPolarHBondContact CG-O 3.45Å; S62-L65 WeakPolarHBondContact O-CB 3.27Å; S62-L65 PolarHBondContact O-N 2.89Å |
| 66 | G | 84 | Confident | 87.3 | Confident | 35 Ų | 35 | 30.3 Ų | 30.3 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -102 | 144.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P64 L132 | P64-G66 PolarHBondContact O-N 2.8Å; G66-L132 VanDerWaalsContact CA-O 3.29Å; G66-L132 WeakPolarHBondContact CA-O 3.36Å |
| 67 | L | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.4 | 171.9 | -57.6 | 179.2 | 0 | 0 | 0 | 109.3 | L37 P42 F58 Q60 K61 S131 L132 V169 | L37-L67 HydrophobicContact CB-CD1 4.29Å; L37-L67 HydrophobicContact CB-CD2 4.46Å; P42-L67 HydrophobicContact CB-CD2 4.2Å; P42-L67 CarbonylContact O-C 3.6Å; P42-L67 VanDerWaalsContact O-CA 3.31Å; P42-L67 WeakPolarHBondContact O-CA 3.22Å; F58-L67 HydrophobicContact CB-CD1 4.22Å; F58-L67 HydrophobicContact CD1-CB 3.69Å; F58-L67 HydrophobicContact CD1-CD1 3.72Å; F58-L67 HydrophobicContact CD1-CG 4.38Å; F58-L67 HydrophobicContact CE1-CB 3.85Å; F58-L67 HydrophobicContact CG-CD1 4.45Å; Q60-L67 WeakPolarHBondContact O-CD1 3.39Å; K61-L67 HydrophobicContact CB-CD1 4.04Å; K61-L67 HydrophobicContact CB-CG 4.21Å; K61-L67 HydrophobicContact CG-CG 4.38Å; L67-S131 CarbonylContact O-C 3.5Å; L67-S131 WeakPolarHBondContact O-CA 3.27Å; L67-L132 HydrophobicContact CB-CB 4.38Å; L67-L132 HydrophobicContact CD1-CD1 4.47Å; L67-L132 PolarHBondContact O-N 3.41Å; L67-V169 HydrophobicContact CD1-CG2 4.37Å |
| 68 | K | 92.6 | Very high | 87 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 35% | 0.348 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.1 | 177.3 | -176.3 | 177.3 | -177.7 | -173.2 | 0 | 112 | P42 T43 A44 T70 S129 I130 | P42-K68 PolarHBondContact O-N 2.86Å; T43-K68 WeakPolarHBondContact CA-O 3.3Å; T43-K68 HydrophobicContact CG2-CB 4.33Å; A44-K68 PolarHBondContact N-O 3.39Å; K68-T70 WeakPolarHBondContact CE-OG1 3.22Å; K68-S129 VanDerWaalsContact CE-OG 3.22Å; K68-S129 WeakPolarHBondContact CE-OG 3.41Å; K68-S129 PolarHBondContact NZ-OG 2.81Å; K68-I130 WeakPolarHBondContact CA-O 3.47Å; K68-I130 WeakPolarHBondContact CG-O 3.31Å |
| 69 | L | 95.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.9 | 165.2 | -177.7 | 62.4 | 0 | 0 | 0 | 108.9 | L37 A44 L46 V56 F58 S129 I130 I165 | L37-L69 HydrophobicContact CD1-CB 4.13Å; A44-L69 HydrophobicContact CB-CD1 4.03Å; L46-L69 HydrophobicContact CD1-CD1 3.91Å; L46-L69 HydrophobicContact CG-CD1 4.14Å; V56-L69 HydrophobicContact CB-CD2 4.37Å; V56-L69 HydrophobicContact CG1-CD1 4.23Å; V56-L69 HydrophobicContact CG1-CD2 4.19Å; V56-L69 HydrophobicContact CG2-CD1 4.14Å; V56-L69 HydrophobicContact CG2-CD2 4.14Å; F58-L69 HydrophobicContact CE2-CB 4.44Å; F58-L69 HydrophobicContact CE2-CD2 4.4Å; F58-L69 HydrophobicContact CZ-CB 3.77Å; L69-S129 CarbonylContact O-C 3.51Å; L69-S129 WeakPolarHBondContact O-CA 3.23Å; L69-I130 PolarHBondContact N-O 3.36Å; L69-I130 PolarHBondContact O-N 2.93Å; L69-I165 HydrophobicContact CD2-CD1 3.73Å; L69-I165 HydrophobicContact CD2-CG1 4.2Å |
| 70 | T | 96.1 | Very high | 86.5 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.1 | 170.4 | -47.9 | 0 | 0 | 0 | 0 | 109 | A44 L45 L46 K68 N127 F128 | A44-T70 PolarHBondContact O-N 3.47Å; L45-T70 CarbonylContact C-O 3.59Å; L45-T70 WeakPolarHBondContact CA-O 3.33Å; L45-T70 HydrophobicContact CD1-CG2 3.81Å; L46-T70 PolarHBondContact N-O 3.2Å; K68-T70 WeakPolarHBondContact CE-OG1 3.22Å; T70-N127 HydrophobicContact CG2-CB 4.37Å; T70-F128 CarbonylContact C-O 3.57Å; T70-F128 WeakPolarHBondContact CA-O 3.48Å |
| 71 | F | 96.3 | Very high | 86.9 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 107.3 | 175 | 177.1 | -144.4 | 0 | 0 | 0 | 109.3 | L46 A48 C73 L87 F128 C148 I163 | L46-F71 HydrophobicContact CB-CD2 4.35Å; L46-F71 CarbonylContact O-C 3.6Å; L46-F71 WeakPolarHBondContact O-CA 3.47Å; A48-F71 HydrophobicContact CB-CE2 4.11Å; A48-F71 HydrophobicContact CB-CZ 4.31Å; F71-C73 PolarHBondContact O-N 3.2Å; F71-L87 HydrophobicContact CD1-CD1 4.03Å; F71-L87 HydrophobicContact CE1-CD1 4.1Å; F71-F128 HydrophobicContact CB-CB 4.48Å; F71-F128 HydrophobicContact CD1-CD2 4.36Å; F71-F128 PolarHBondContact N-O 3Å; F71-F128 PolarHBondContact O-N 2.97Å; F71-C148 HydrophobicContact CE1-CB 3.81Å; F71-C148 HydrophobicContact CZ-CB 4.18Å; F71-I163 HydrophobicContact CB-CD1 4.27Å; F71-I163 HydrophobicContact CD1-CD1 3.94Å; F71-I163 HydrophobicContact CD2-CD1 3.4Å; F71-I163 HydrophobicContact CE1-CD1 4.08Å; F71-I163 HydrophobicContact CE2-CD1 3.58Å; F71-I163 HydrophobicContact CG-CD1 3.6Å; F71-I163 HydrophobicContact CZ-CD1 3.92Å |
| 72 | A | 96.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 101.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I26 L45 L46 D47 A48 H74 N127 | I26-A72 HydrophobicContact CG1-CB 3.96Å; L45-A72 HydrophobicContact CD1-CB 4.26Å; L46-A72 PolarHBondContact O-N 2.79Å; D47-A72 CarbonylContact C-O 3.52Å; D47-A72 WeakPolarHBondContact CA-O 3.43Å; A48-A72 PolarHBondContact N-O 3.47Å; A72-H74 VanDerWaalsContact C-N 3.28Å; A72-H74 PolarHBondContact O-N 2.78Å; A72-N127 WeakPolarHBondContact CA-OD1 3.15Å; A72-N127 WeakPolarHBondContact CB-OD1 3.36Å |
| 73 | C | 95.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 70.2 | 170 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | F71 G125 A126 F128 C148 V150 | F71-C73 PolarHBondContact O-N 3.2Å; C73-G125 WeakPolarHBondContact O-CA 3.46Å; C73-A126 CarbonylContact C-O 3.55Å; C73-A126 WeakPolarHBondContact CA-O 3.2Å; C73-A126 PolarHBondContact N-O 3.02Å; C73-A126 PolarHBondContact O-N 3.36Å; C73-F128 HydrophobicContact CB-CD2 4.13Å; C73-F128 HydrophobicContact CB-CE2 3.7Å; C73-C148 HydrophobicContact CB-CB 3.62Å; C73-C148 WeakPolarHBondContact CB-SG 3.39Å; C73-C148 WeakPolarHBondContact SG-CB 3.09Å; C73-C148 CovalentContact SG-SG 2.02Å; C73-C148 PolarHBondContact SG-SG 2.96Å; C73-V150 WeakPolarHBondContact SG-CG2 3.35Å |
| 74 | H | 94.7 | Very high | 89.1 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.3 | -175.3 | -78 | -145.2 | 0 | 0 | 0 | 111.3 | F23 E24 I26 A72 T124 A126 N127 | F23-H74 CarbonylContact C-O 3.58Å; F23-H74 VanDerWaalsContact CA-O 3.29Å; F23-H74 WeakPolarHBondContact CA-O 3.05Å; E24-H74 PolarHBondContact N-O 3.01Å; I26-H74 HydrophobicContact CD1-CB 3.87Å; I26-H74 HydrophobicContact CG1-CB 4.35Å; A72-H74 VanDerWaalsContact C-N 3.28Å; A72-H74 PolarHBondContact O-N 2.78Å; H74-T124 CarbonylContact C-O 3.56Å; H74-T124 VanDerWaalsContact CA-O 3.24Å; H74-T124 WeakPolarHBondContact CA-O 3.1Å; H74-A126 PolarHBondContact CD2-O 3.19Å; H74-N127 PolarHBondContact NE2-ND2 3.46Å |
| 75 | V | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 162.2 | 178.6 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | L21 K22 F23 T77 L82 T124 V150 I158 | L21-V75 HydrophobicContact CD2-CB 4.15Å; L21-V75 HydrophobicContact CD2-CG1 4.37Å; L21-V75 HydrophobicContact CD2-CG2 3.86Å; K22-V75 CarbonylContact O-C 3.4Å; K22-V75 WeakPolarHBondContact O-CA 3.48Å; K22-V75 WeakPolarHBondContact O-CB 3.39Å; F23-V75 HydrophobicContact CD1-CG1 3.7Å; F23-V75 HydrophobicContact CE1-CG1 4.04Å; V75-T77 PolarHBondContact O-N 2.98Å; V75-L82 HydrophobicContact CG2-CD1 4.1Å; V75-L82 HydrophobicContact CG2-CD2 4.25Å; V75-T124 WeakPolarHBondContact CG2-O 3.1Å; V75-T124 PolarHBondContact N-O 3.32Å; V75-V150 HydrophobicContact CG1-CB 4.01Å; V75-V150 HydrophobicContact CG1-CG1 3.82Å; V75-V150 HydrophobicContact CG1-CG2 4.12Å; V75-V150 HydrophobicContact CG2-CG1 3.96Å; V75-I158 HydrophobicContact CG1-CD1 3.9Å |
| 76 | N | 90.3 | Very high | 91 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -53.2 | 134 | 171.1 | 62.2 | -57.9 | 0 | 0 | 0 | 111.8 | Y20 L21 K22 Q78 | Y20-N76 PolarHBondContact O-ND2 3.37Å; Y20-N76 PolarHBondContact O-OD1 3.2Å; L21-N76 WeakPolarHBondContact CA-OD1 3.34Å; K22-N76 PolarHBondContact N-OD1 2.79Å; K22-N76 PolarHBondContact O-N 3.28Å; K22-N76 VanDerWaalsContact O-N 3.07Å; K22-N76 PolarHBondContact O-OD1 3Å; N76-Q78 PolarHBondContact ND2-NE2 3.35Å; N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 PolarHBondContact O-NE2 3.03Å |
| 77 | T | 89.7 | Confident | 91.5 | Very high | 56 Ų | 56 | 37 Ų | 37 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -53.5 | 120.3 | -173.6 | -44.1 | 0 | 0 | 0 | 0 | 113 | V75 T124 | V75-T77 PolarHBondContact O-N 2.98Å; T77-T124 HydrophobicContact CG2-CG2 4.11Å |
| 78 | Q | 88.2 | Confident | 91.7 | Very high | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -88.5 | 152.8 | -177.5 | -62.6 | -61.7 | -66.5 | 0 | 0 | 112.9 | V18 Y20 L21 N76 K80 L82 T123 T152 | V18-Q78 PolarHBondContact O-OE1 3.3Å; Y20-Q78 PolarHBondContact O-NE2 2.68Å; L21-Q78 HydrophobicContact CD2-CG 3.94Å; N76-Q78 PolarHBondContact ND2-NE2 3.35Å; N76-Q78 PolarHBondContact O-N 3.42Å; N76-Q78 PolarHBondContact O-NE2 3.03Å; Q78-K80 VanDerWaalsContact CB-O 3.28Å; Q78-K80 WeakPolarHBondContact CB-O 3.37Å; Q78-K80 PolarHBondContact O-N 3.27Å; Q78-L82 HydrophobicContact CG-CD2 3.75Å; Q78-T123 PolarHBondContact N-O 2.96Å; Q78-T152 HydrophobicContact CG-CG2 3.99Å |
| 79 | A | 81.5 | Confident | 91.7 | Very high | 69 Ų | 69 | 33.3 Ų | 33.3 | 57% | 0.57 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -70.7 | -16.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 80 | K | 84.7 | Confident | 91.6 | Very high | 162 Ų | 162 | 33.9 Ų | 33.9 | 70% | 0.704 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -134.6 | 156.8 | -175.9 | -63.7 | -179.5 | -178.8 | 178.1 | 0 | 108.4 | Q78 | Q78-K80 VanDerWaalsContact CB-O 3.28Å; Q78-K80 WeakPolarHBondContact CB-O 3.37Å; Q78-K80 PolarHBondContact O-N 3.27Å |
| 81 | P | 88.5 | Confident | 91.3 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | trans | -53.1 | 149.7 | 168 | -26.6 | 36.2 | 0 | 0 | 0 | 112.5 | D83 E122 | P81-D83 PolarHBondContact O-N 2.58Å; P81-E122 CarbonylContact C-O 3.56Å; P81-E122 VanDerWaalsContact CA-O 3.28Å; P81-E122 WeakPolarHBondContact CA-O 2.87Å; P81-E122 HydrophobicContact CB-CB 4.38Å | ||
| 82 | L | 90 | Very high | 90.8 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.115 | 21% | 0.214 | C | C | . | . | trans | -76.4 | 111.3 | 175.3 | -65.9 | 168.1 | 0 | 0 | 0 | 110.3 | L21 V75 Q78 K84 V85 E122 G125 V150 T152 | L21-L82 HydrophobicContact CD2-CD2 3.93Å; V75-L82 HydrophobicContact CG2-CD1 4.1Å; V75-L82 HydrophobicContact CG2-CD2 4.25Å; Q78-L82 HydrophobicContact CG-CD2 3.75Å; L82-K84 PolarHBondContact O-N 3.21Å; L82-V85 HydrophobicContact CB-CG2 3.96Å; L82-V85 HydrophobicContact CD1-CG2 3.77Å; L82-E122 PolarHBondContact N-O 3.32Å; L82-G125 VanDerWaalsContact CD1-N 3.33Å; L82-V150 HydrophobicContact CD1-CG1 3.91Å; L82-V150 HydrophobicContact CD2-CG1 3.71Å; L82-V150 HydrophobicContact CG-CG1 4.36Å; L82-T152 HydrophobicContact CD2-CG2 3.67Å | ||
| 83 | D | 88.4 | Confident | 90.1 | Very high | 111 Ų | 111 | 38.8 Ų | 38.8 | 59% | 0.594 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -50.2 | -31.2 | 172.2 | -85.6 | 16.3 | 0 | 0 | 0 | 112.7 | P81 Q102 G151 | P81-D83 PolarHBondContact O-N 2.58Å; D83-Q102 PolarHBondContact O-NE2 2.71Å; D83-G151 PolarHBondContact N-O 3.13Å |
| 84 | K | 88.6 | Confident | 89.4 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 30% | 0.296 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 124.8 | -176.2 | -172.5 | 172.6 | -174.9 | 178.6 | 0 | 112.8 | L82 I149 V150 G151 | L82-K84 PolarHBondContact O-N 3.21Å; K84-I149 HydrophobicContact CD-CG2 4.07Å; K84-V150 CarbonylContact O-C 3.54Å; K84-V150 VanDerWaalsContact O-CA 3.3Å; K84-V150 WeakPolarHBondContact O-CA 3.34Å; K84-G151 PolarHBondContact N-O 2.8Å; K84-G151 PolarHBondContact O-N 2.68Å |
| 85 | V | 92.6 | Very high | 88.9 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.3 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 107 | L82 Q102 F118 A126 F128 I149 | L82-V85 HydrophobicContact CB-CG2 3.96Å; L82-V85 HydrophobicContact CD1-CG2 3.77Å; V85-Q102 WeakPolarHBondContact O-CG 3.46Å; V85-F118 HydrophobicContact CG1-CE2 4.49Å; V85-A126 HydrophobicContact CG1-CB 3.8Å; V85-F128 HydrophobicContact CG1-CZ 4.4Å; V85-I149 WeakPolarHBondContact CA-O 3.15Å |
| 86 | S | 92.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 141.6 | -176.4 | -49.8 | 0 | 0 | 0 | 0 | 112.1 | V101 C148 I149 | S86-V101 VanDerWaalsContact CA-O 3.23Å; S86-V101 WeakPolarHBondContact CA-O 3.31Å; S86-V101 WeakPolarHBondContact CB-O 2.99Å; S86-C148 CarbonylContact O-C 3.59Å; S86-C148 WeakPolarHBondContact O-CA 3.32Å; S86-C148 WeakPolarHBondContact O-CB 3.2Å; S86-I149 PolarHBondContact N-O 3.41Å; S86-I149 PolarHBondContact O-N 3.35Å |
| 87 | L | 94.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.6 | 159.5 | -169.8 | 70.3 | 0 | 0 | 0 | 108.8 | F71 V101 F109 F116 F128 F146 C148 | F71-L87 HydrophobicContact CD1-CD1 4.03Å; F71-L87 HydrophobicContact CE1-CD1 4.1Å; L87-V101 PolarHBondContact N-O 2.92Å; L87-V101 VanDerWaalsContact N-O 3.1Å; L87-V101 PolarHBondContact O-N 3.32Å; L87-F109 HydrophobicContact CB-CE2 4.22Å; L87-F109 HydrophobicContact CB-CZ 3.75Å; L87-F109 HydrophobicContact CD2-CE2 4.08Å; L87-F109 HydrophobicContact CD2-CZ 3.77Å; L87-F109 HydrophobicContact CG-CZ 4.4Å; L87-F116 HydrophobicContact CD2-CD1 3.64Å; L87-F116 HydrophobicContact CD2-CD2 4.05Å; L87-F116 HydrophobicContact CD2-CE1 3.47Å; L87-F116 VanDerWaalsContact CD2-CE1 3.47Å; L87-F116 HydrophobicContact CD2-CE2 3.92Å; L87-F116 HydrophobicContact CD2-CG 3.92Å; L87-F116 HydrophobicContact CD2-CZ 3.62Å; L87-F128 HydrophobicContact CB-CD1 3.81Å; L87-F128 HydrophobicContact CB-CE1 3.51Å; L87-F128 HydrophobicContact CB-CE2 4.27Å; L87-F128 HydrophobicContact CB-CG 4.32Å; L87-F128 HydrophobicContact CB-CZ 3.76Å; L87-F128 HydrophobicContact CD1-CD2 4.13Å; L87-F128 HydrophobicContact CD1-CE2 4.38Å; L87-F128 HydrophobicContact CD1-CG 4.2Å; L87-F128 HydrophobicContact CD2-CD1 4.11Å; L87-F128 HydrophobicContact CD2-CG 4.32Å; L87-F128 HydrophobicContact CG-CD1 4.37Å; L87-F146 HydrophobicContact CD1-CB 4.41Å; L87-F146 HydrophobicContact CD2-CD1 4.23Å; L87-C148 HydrophobicContact CD1-CB 4.46Å |
| 88 | C | 94.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.8 | 175.8 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | R98 T99 C100 F146 S147 I149 | C88-R98 HydrophobicContact CB-CG 3.86Å; C88-R98 VanDerWaalsContact CB-CZ 3.43Å; C88-R98 PolarHBondContact SG-NH2 3.47Å; C88-R98 VanDerWaalsContact SG-NH2 3.45Å; C88-T99 CarbonylContact C-O 3.57Å; C88-T99 WeakPolarHBondContact CA-O 3.01Å; C88-C100 HydrophobicContact CB-CB 4.05Å; C88-C100 WeakPolarHBondContact CB-SG 3.49Å; C88-C100 WeakPolarHBondContact SG-CB 3.32Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 2.75Å; C88-F146 VanDerWaalsContact O-CA 3.31Å; C88-F146 WeakPolarHBondContact O-CA 3.14Å; C88-S147 PolarHBondContact N-O 3.27Å; C88-S147 PolarHBondContact O-N 3.1Å; C88-I149 VanDerWaalsContact SG-CD1 3.53Å |
| 89 | C | 94.4 | Very high | 88 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 148.6 | -179.4 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | T99 C111 L112 L145 F146 | C89-T99 PolarHBondContact N-O 2.73Å; C89-T99 PolarHBondContact O-N 2.97Å; C89-C111 HydrophobicContact CB-CB 3.87Å; C89-C111 WeakPolarHBondContact CB-SG 3.27Å; C89-C111 WeakPolarHBondContact SG-CB 3.29Å; C89-C111 CovalentContact SG-SG 2.04Å; C89-C111 PolarHBondContact SG-SG 3.04Å; C89-L112 HydrophobicContact CB-CD1 3.87Å; C89-L112 HydrophobicContact CB-CG 4.01Å; C89-L145 VanDerWaalsContact CA-O 3.29Å; C89-L145 WeakPolarHBondContact CA-O 3.33Å; C89-F146 HydrophobicContact CB-CD1 3.56Å; C89-F146 HydrophobicContact CB-CE1 3.51Å; C89-F146 HydrophobicContact CB-CZ 4.48Å |
| 90 | R | 92.7 | Very high | 88.5 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.4 | 170.4 | 61 | 175.9 | -178.9 | 135.7 | 4.5 | 111.5 | S92 V93 D95 R98 L112 L145 E162 | R90-S92 PolarHBondContact NH1-O 3.13Å; R90-V93 PolarHBondContact NH1-O 2.78Å; R90-D95 HydrophobicContact CB-CB 4.5Å; R90-D95 WeakPolarHBondContact CD-O 3.44Å; R90-D95 PolarHBondContact NH1-O 2.65Å; R90-R98 HydrophobicContact CB-CB 4.46Å; R90-L112 WeakPolarHBondContact O-CD1 3.39Å; R90-L145 HydrophobicContact CG-CB 4.18Å; R90-L145 PolarHBondContact N-O 2.83Å; R90-L145 PolarHBondContact O-N 2.87Å; R90-E162 IonicContact CZ-OE1 3.61Å; R90-E162 IonicContact CZ-OE2 2.69Å; R90-E162 IonicContact NE-OE1 3.8Å; R90-E162 PolarHBondContact NE-OE1 2.88Å; R90-E162 IonicContact NE-OE2 2.66Å; R90-E162 IonicContact NH2-OE1 2.61Å; R90-E162 PolarHBondContact NH2-OE1 3.04Å; R90-E162 IonicContact NH2-OE2 3.09Å; R90-E162 PolarHBondContact NH2-OE2 3.38Å |
| 91 | S | 88.5 | Confident | 88.7 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -74.4 | -32.2 | -166.2 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | D95 | S91-D95 WeakPolarHBondContact CB-OD2 3.42Å; S91-D95 PolarHBondContact N-OD2 2.91Å; S91-D95 PolarHBondContact OG-OD2 3.25Å |
| 92 | S | 86.3 | Confident | 88.6 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -151.1 | 173.4 | 178.6 | 79.2 | 0 | 0 | 0 | 0 | 112 | R90 E94 D95 | R90-S92 PolarHBondContact NH1-O 3.13Å; S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 PolarHBondContact OG-N 2.96Å; S92-D95 WeakPolarHBondContact O-CB 3.44Å; S92-D95 PolarHBondContact O-N 2.03Å; S92-D95 PolarHBondContact OG-N 3.47Å; S92-D95 VanDerWaalsContact OG-N 3.1Å |
| 93 | V | 82.5 | Confident | 87.9 | Confident | 21 Ų | 21 | 58 Ų | 58 | 13% | 0.127 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -64.2 | -28.7 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | R90 L145 S514 | R90-V93 PolarHBondContact NH1-O 2.78Å; V93-L145 HydrophobicContact CG2-CD1 4.12Å; V93-L145 HydrophobicContact CG2-CD2 3.73Å; V93-S514 WeakPolarHBondContact CG1-O 3.23Å |
| 94 | E | 80.1 | Confident | 87.1 | Confident | 150 Ų | 150 | 62.2 Ų | 62.2 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -84.6 | -18.8 | 179.8 | -60 | 172.7 | 164.4 | 0 | 0 | 112.3 | S92 T96 | S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 PolarHBondContact OG-N 2.96Å; E94-T96 PolarHBondContact O-N 2.93Å |
| 95 | D | 84 | Confident | 86.3 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | trans | -71.2 | 117.3 | 176.7 | -171.8 | 2.3 | 0 | 0 | 0 | 110.6 | R90 S91 S92 K97 | R90-D95 HydrophobicContact CB-CB 4.5Å; R90-D95 WeakPolarHBondContact CD-O 3.44Å; R90-D95 PolarHBondContact NH1-O 2.65Å; S91-D95 WeakPolarHBondContact CB-OD2 3.42Å; S91-D95 PolarHBondContact N-OD2 2.91Å; S91-D95 PolarHBondContact OG-OD2 3.25Å; S92-D95 WeakPolarHBondContact O-CB 3.44Å; S92-D95 PolarHBondContact O-N 2.03Å; S92-D95 PolarHBondContact OG-N 3.47Å; S92-D95 VanDerWaalsContact OG-N 3.1Å; D95-K97 WeakPolarHBondContact OD1-CB 2.99Å; D95-K97 PolarHBondContact OD1-N 2.61Å | ||
| 96 | T | 79.3 | Confident | 85.8 | Confident | 141 Ų | 141 | 67.9 Ų | 67.9 | 87% | 0.865 | 36% | 0.364 | S | S | * | . | trans | -84.3 | -14.1 | 175.3 | 55 | 0 | 0 | 0 | 0 | 112.5 | E94 R98 | E94-T96 PolarHBondContact O-N 2.93Å; T96-R98 PolarHBondContact O-N 3.26Å | ||
| 97 | K | 84.6 | Confident | 85.6 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | trans | -90.1 | 89.5 | -177.1 | -170.2 | -175 | 175.9 | -175.8 | 0 | 111.2 | D95 | D95-K97 WeakPolarHBondContact OD1-CB 2.99Å; D95-K97 PolarHBondContact OD1-N 2.61Å | ||
| 98 | R | 87.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 73 Ų | 73 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | trans | -85.1 | 131.1 | 173 | -172.2 | 158.5 | 165.4 | -105.8 | -0.6 | 111.5 | C88 R90 T96 S147 E159 | C88-R98 HydrophobicContact CB-CG 3.86Å; C88-R98 VanDerWaalsContact CB-CZ 3.43Å; C88-R98 PolarHBondContact SG-NH2 3.47Å; C88-R98 VanDerWaalsContact SG-NH2 3.45Å; R90-R98 HydrophobicContact CB-CB 4.46Å; T96-R98 PolarHBondContact O-N 3.26Å; R98-S147 PolarHBondContact NE-OG 2.96Å; R98-S147 PolarHBondContact NH2-OG 2.82Å; R98-E159 VanDerWaalsContact CZ-CD 3.44Å; R98-E159 IonicContact CZ-OE1 3.4Å; R98-E159 IonicContact CZ-OE2 3.53Å; R98-E159 IonicContact NH1-OE1 2.77Å; R98-E159 IonicContact NH1-OE2 3.54Å; R98-E159 PolarHBondContact NH1-OE2 2.75Å; R98-E159 IonicContact NH2-OE1 3.37Å; R98-E159 PolarHBondContact NH2-OE1 3.05Å; R98-E159 IonicContact NH2-OE2 2.7Å; R98-E159 PolarHBondContact NH2-OE2 2.9Å | ||
| 99 | T | 91.3 | Very high | 85 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.1 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | C88 C89 | C88-T99 CarbonylContact C-O 3.57Å; C88-T99 WeakPolarHBondContact CA-O 3.01Å; C89-T99 PolarHBondContact N-O 2.73Å; C89-T99 PolarHBondContact O-N 2.97Å |
| 100 | C | 91.8 | Very high | 84.7 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 41% | 0.405 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.7 | 177.8 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | C88 | C88-C100 HydrophobicContact CB-CB 4.05Å; C88-C100 WeakPolarHBondContact CB-SG 3.49Å; C88-C100 WeakPolarHBondContact SG-CB 3.32Å; C88-C100 CovalentContact SG-SG 2.04Å; C88-C100 PolarHBondContact SG-SG 2.75Å |
| 101 | V | 90.4 | Very high | 84.4 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.3 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | S86 L87 P103 F109 | S86-V101 VanDerWaalsContact CA-O 3.23Å; S86-V101 WeakPolarHBondContact CA-O 3.31Å; S86-V101 WeakPolarHBondContact CB-O 2.99Å; L87-V101 PolarHBondContact N-O 2.92Å; L87-V101 VanDerWaalsContact N-O 3.1Å; L87-V101 PolarHBondContact O-N 3.32Å; V101-P103 VanDerWaalsContact O-CD 3.25Å; V101-P103 WeakPolarHBondContact O-CD 3.25Å; V101-F109 HydrophobicContact CB-CD2 3.89Å; V101-F109 HydrophobicContact CB-CE2 3.99Å; V101-F109 HydrophobicContact CG1-CB 4.18Å; V101-F109 HydrophobicContact CG1-CD2 3.71Å; V101-F109 HydrophobicContact CG1-CE2 4.23Å; V101-F109 HydrophobicContact CG1-CG 3.91Å; V101-F109 HydrophobicContact CG2-CD2 4.03Å; V101-F109 HydrophobicContact CG2-CE2 4.28Å |
| 102 | Q | 86.3 | Confident | 84.3 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | trans | -102.6 | 96.2 | 169.7 | 177.5 | 159.3 | -4.8 | 0 | 0 | 108.2 | D83 V85 | D83-Q102 PolarHBondContact O-NE2 2.71Å; V85-Q102 WeakPolarHBondContact O-CG 3.46Å | ||
| 103 | P | 75.3 | Confident | 84.1 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | trans | -70.1 | 142.9 | 173.3 | 29.2 | -36.1 | 0 | 0 | 0 | 111.6 | V101 F109 F118 | V101-P103 VanDerWaalsContact O-CD 3.25Å; V101-P103 WeakPolarHBondContact O-CD 3.25Å; P103-F109 HydrophobicContact CB-CD1 4.4Å; P103-F109 HydrophobicContact CG-CD1 4.48Å; P103-F109 HydrophobicContact CG-CE1 4.36Å; P103-F118 HydrophobicContact CB-CD1 3.67Å; P103-F118 HydrophobicContact CB-CE1 3.77Å; P103-F118 HydrophobicContact CB-CG 4.07Å; P103-F118 HydrophobicContact CB-CZ 4.24Å; P103-F118 HydrophobicContact CG-CD1 3.51Å; P103-F118 HydrophobicContact CG-CD2 3.63Å; P103-F118 HydrophobicContact CG-CE1 3.35Å; P103-F118 HydrophobicContact CG-CE2 3.43Å; P103-F118 VanDerWaalsContact CG-CE2 3.43Å; P103-F118 HydrophobicContact CG-CG 3.62Å; P103-F118 HydrophobicContact CG-CZ 3.31Å | ||
| 104 | E | 70.3 | Confident | 84.1 | Confident | 200 Ų | 200 | 79.2 Ų | 79.2 | 94% | 0.935 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -89.3 | -23.6 | -175.2 | -60.9 | 178.1 | 164.2 | 0 | 0 | 113.7 | ||
| 105 | A | 71.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -157.3 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G107 F118 | A105-G107 PolarHBondContact O-N 2.93Å; A105-F118 WeakPolarHBondContact O-CD1 3.27Å |
| 106 | E | 83.3 | Confident | 84.8 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -56.4 | 133.8 | 172 | -174 | 170.2 | -141.8 | 0 | 0 | 111.4 | H117 F118 S119 | E106-H117 IonicContact OE1-CE1 2.73Å; E106-F118 WeakPolarHBondContact CG-O 3.43Å; E106-S119 PolarHBondContact OE1-OG 3.09Å |
| 107 | G | 87.4 | Confident | 85.5 | Confident | 30 Ų | 30 | 74.3 Ų | 74.3 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -155.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A105 F118 | A105-G107 PolarHBondContact O-N 2.93Å; G107-F118 PolarHBondContact N-O 3.08Å; G107-F118 PolarHBondContact O-N 3.41Å |
| 108 | T | 89 | Confident | 85.8 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.9 | 174.7 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | E115 F116 H117 | T108-E115 WeakPolarHBondContact CB-OE1 3.33Å; T108-E115 HydrophobicContact CG2-CG 4.39Å; T108-E115 WeakPolarHBondContact CG2-OE1 3.19Å; T108-E115 PolarHBondContact OG1-OE1 3.25Å; T108-F116 WeakPolarHBondContact CA-O 3.19Å; T108-F116 WeakPolarHBondContact CB-O 3.47Å; T108-H117 HydrophobicContact CG2-CB 4.33Å |
| 109 | F | 89 | Confident | 85.9 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 11% | 0.114 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.7 | 172 | 68.7 | -90.1 | 0 | 0 | 0 | 110.7 | L87 V101 P103 C111 E115 F116 F118 F128 | L87-F109 HydrophobicContact CB-CE2 4.22Å; L87-F109 HydrophobicContact CB-CZ 3.75Å; L87-F109 HydrophobicContact CD2-CE2 4.08Å; L87-F109 HydrophobicContact CD2-CZ 3.77Å; L87-F109 HydrophobicContact CG-CZ 4.4Å; V101-F109 HydrophobicContact CB-CD2 3.89Å; V101-F109 HydrophobicContact CB-CE2 3.99Å; V101-F109 HydrophobicContact CG1-CB 4.18Å; V101-F109 HydrophobicContact CG1-CD2 3.71Å; V101-F109 HydrophobicContact CG1-CE2 4.23Å; V101-F109 HydrophobicContact CG1-CG 3.91Å; V101-F109 HydrophobicContact CG2-CD2 4.03Å; V101-F109 HydrophobicContact CG2-CE2 4.28Å; P103-F109 HydrophobicContact CB-CD1 4.4Å; P103-F109 HydrophobicContact CG-CD1 4.48Å; P103-F109 HydrophobicContact CG-CE1 4.36Å; F109-C111 HydrophobicContact CE2-CB 4.23Å; F109-E115 WeakPolarHBondContact O-CA 3.39Å; F109-F116 HydrophobicContact CD1-CB 4.36Å; F109-F116 HydrophobicContact CE1-CB 3.89Å; F109-F116 HydrophobicContact CE2-CB 4.16Å; F109-F116 HydrophobicContact CE2-CD2 4.27Å; F109-F116 HydrophobicContact CE2-CG 4.38Å; F109-F116 HydrophobicContact CZ-CB 3.77Å; F109-F116 HydrophobicContact CZ-CG 4.17Å; F109-F116 PolarHBondContact N-O 3.12Å; F109-F116 PolarHBondContact O-N 3.26Å; F109-F118 HydrophobicContact CD1-CB 4.26Å; F109-F118 HydrophobicContact CE1-CB 4.07Å; F109-F118 HydrophobicContact CE1-CD2 4.44Å; F109-F128 AromaticContact CE1-CD1 3.79Å; F109-F128 HydrophobicContact CE1-CD1 3.79Å; F109-F128 AromaticContact CE1-CE1 3.85Å; F109-F128 HydrophobicContact CE1-CE1 3.85Å; F109-F128 AromaticContact CZ-CD1 3.74Å; F109-F128 HydrophobicContact CZ-CD1 3.74Å; F109-F128 AromaticContact CZ-CE1 3.84Å; F109-F128 HydrophobicContact CZ-CE1 3.84Å |
| 110 | S | 87.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137 | 177 | -164.4 | 0 | 0 | 0 | 0 | 112.9 | T114 | S110-T114 CarbonylContact C-O 2.96Å; S110-T114 VanDerWaalsContact CA-O 3.26Å; S110-T114 WeakPolarHBondContact CA-O 3.34Å; S110-T114 PolarHBondContact OG-O 2.81Å |
| 111 | C | 87.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.4 | 172.2 | -137.1 | 0 | 0 | 0 | 0 | 107.8 | C89 F109 N113 T114 F116 F146 | C89-C111 HydrophobicContact CB-CB 3.87Å; C89-C111 WeakPolarHBondContact CB-SG 3.27Å; C89-C111 WeakPolarHBondContact SG-CB 3.29Å; C89-C111 CovalentContact SG-SG 2.04Å; C89-C111 PolarHBondContact SG-SG 3.04Å; F109-C111 HydrophobicContact CE2-CB 4.23Å; C111-N113 VanDerWaalsContact C-N 3.32Å; C111-N113 PolarHBondContact O-N 3.24Å; C111-T114 PolarHBondContact N-O 3.05Å; C111-T114 VanDerWaalsContact O-CB 3.25Å; C111-T114 WeakPolarHBondContact O-CB 3.26Å; C111-T114 PolarHBondContact O-N 2.86Å; C111-F116 HydrophobicContact CB-CD2 4.33Å; C111-F116 HydrophobicContact CB-CE2 4.12Å; C111-F146 HydrophobicContact CB-CE1 4.37Å |
| 112 | L | 85.9 | Confident | 85.4 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 46.3 | -172.3 | -59.6 | 169.4 | 0 | 0 | 0 | 113.7 | C89 R90 T114 F146 | C89-L112 HydrophobicContact CB-CD1 3.87Å; C89-L112 HydrophobicContact CB-CG 4.01Å; R90-L112 WeakPolarHBondContact O-CD1 3.39Å; L112-T114 PolarHBondContact O-N 3.48Å; L112-F146 HydrophobicContact CD1-CE1 4.46Å; L112-F146 HydrophobicContact CD1-CZ 4.21Å |
| 113 | N | 81.3 | Confident | 85.6 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 66% | 0.663 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 5.1 | -174.5 | -52.3 | -43.2 | 0 | 0 | 0 | 115.4 | C111 | C111-N113 VanDerWaalsContact C-N 3.32Å; C111-N113 PolarHBondContact O-N 3.24Å |
| 114 | T | 83.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127 | 174 | -58.6 | 0 | 0 | 0 | 0 | 109 | S110 C111 L112 F116 I130 I142 | S110-T114 CarbonylContact C-O 2.96Å; S110-T114 VanDerWaalsContact CA-O 3.26Å; S110-T114 WeakPolarHBondContact CA-O 3.34Å; S110-T114 PolarHBondContact OG-O 2.81Å; C111-T114 PolarHBondContact N-O 3.05Å; C111-T114 VanDerWaalsContact O-CB 3.25Å; C111-T114 WeakPolarHBondContact O-CB 3.26Å; C111-T114 PolarHBondContact O-N 2.86Å; L112-T114 PolarHBondContact O-N 3.48Å; T114-F116 HydrophobicContact CG2-CD2 4.02Å; T114-F116 HydrophobicContact CG2-CE2 3.6Å; T114-F116 HydrophobicContact CG2-CZ 4.15Å; T114-I130 HydrophobicContact CG2-CD1 3.98Å; T114-I130 HydrophobicContact CG2-CG1 4.02Å; T114-I130 HydrophobicContact CG2-CG2 4.39Å; T114-I142 HydrophobicContact CG2-CB 4.45Å; T114-I142 HydrophobicContact CG2-CD1 4.07Å; T114-I142 HydrophobicContact CG2-CG1 4.08Å; T114-I142 HydrophobicContact CG2-CG2 3.67Å |
| 115 | E | 87.7 | Confident | 87.5 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.7 | 172.2 | -172 | 172.3 | -167.1 | 0 | 0 | 110.7 | T108 F109 | T108-E115 WeakPolarHBondContact CB-OE1 3.33Å; T108-E115 HydrophobicContact CG2-CG 4.39Å; T108-E115 WeakPolarHBondContact CG2-OE1 3.19Å; T108-E115 PolarHBondContact OG1-OE1 3.25Å; F109-E115 WeakPolarHBondContact O-CA 3.39Å |
| 116 | F | 91 | Very high | 88.5 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 173.9 | -74.2 | -99.2 | 0 | 0 | 0 | 109.3 | L87 T108 F109 C111 T114 F128 S129 I130 F146 | L87-F116 HydrophobicContact CD2-CD1 3.64Å; L87-F116 HydrophobicContact CD2-CD2 4.05Å; L87-F116 HydrophobicContact CD2-CE1 3.47Å; L87-F116 VanDerWaalsContact CD2-CE1 3.47Å; L87-F116 HydrophobicContact CD2-CE2 3.92Å; L87-F116 HydrophobicContact CD2-CG 3.92Å; L87-F116 HydrophobicContact CD2-CZ 3.62Å; T108-F116 WeakPolarHBondContact CA-O 3.19Å; T108-F116 WeakPolarHBondContact CB-O 3.47Å; F109-F116 HydrophobicContact CD1-CB 4.36Å; F109-F116 HydrophobicContact CE1-CB 3.89Å; F109-F116 HydrophobicContact CE2-CB 4.16Å; F109-F116 HydrophobicContact CE2-CD2 4.27Å; F109-F116 HydrophobicContact CE2-CG 4.38Å; F109-F116 HydrophobicContact CZ-CB 3.77Å; F109-F116 HydrophobicContact CZ-CG 4.17Å; F109-F116 PolarHBondContact N-O 3.12Å; F109-F116 PolarHBondContact O-N 3.26Å; C111-F116 HydrophobicContact CB-CD2 4.33Å; C111-F116 HydrophobicContact CB-CE2 4.12Å; T114-F116 HydrophobicContact CG2-CD2 4.02Å; T114-F116 HydrophobicContact CG2-CE2 3.6Å; T114-F116 HydrophobicContact CG2-CZ 4.15Å; F116-F128 HydrophobicContact CD1-CB 4.1Å; F116-S129 WeakPolarHBondContact CA-O 3.47Å; F116-I130 HydrophobicContact CD1-CD1 4.18Å; F116-I130 HydrophobicContact CD1-CG1 3.65Å; F116-I130 HydrophobicContact CE1-CD1 3.47Å; F116-I130 VanDerWaalsContact CE1-CD1 3.47Å; F116-I130 HydrophobicContact CE1-CG1 3.49Å; F116-I130 VanDerWaalsContact CE1-CG1 3.49Å; F116-I130 HydrophobicContact CE2-CD1 4.38Å; F116-I130 HydrophobicContact CE2-CG1 4.44Å; F116-I130 HydrophobicContact CG-CG1 4.23Å; F116-I130 HydrophobicContact CZ-CD1 3.59Å; F116-I130 HydrophobicContact CZ-CG1 3.92Å; F116-F146 HydrophobicContact CE1-CD1 4.5Å; F116-F146 AromaticContact CE2-CD1 3.99Å; F116-F146 HydrophobicContact CE2-CD1 3.99Å; F116-F146 AromaticContact CE2-CE1 3.55Å; F116-F146 HydrophobicContact CE2-CE1 3.55Å; F116-F146 HydrophobicContact CE2-CZ 4.24Å; F116-F146 AromaticContact CZ-CD1 3.51Å; F116-F146 HydrophobicContact CZ-CD1 3.51Å; F116-F146 AromaticContact CZ-CE1 3.43Å; F116-F146 HydrophobicContact CZ-CE1 3.43Å; F116-F146 VanDerWaalsContact CZ-CE1 3.43Å; F116-F146 HydrophobicContact CZ-CG 4.17Å; F116-F146 HydrophobicContact CZ-CZ 4.03Å |
| 117 | H | 92.6 | Very high | 89 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 137.3 | 160.9 | -166.9 | -58.9 | 0 | 0 | 0 | 109.1 | E106 T108 F128 S129 | E106-H117 IonicContact OE1-CE1 2.73Å; T108-H117 HydrophobicContact CG2-CB 4.33Å; H117-F128 CarbonylContact O-C 3.45Å; H117-S129 PolarHBondContact N-O 3.07Å; H117-S129 PolarHBondContact O-N 3.31Å |
| 118 | F | 91.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.1 | -175.6 | 177.2 | -107.1 | 0 | 0 | 0 | 110.3 | V85 P103 A105 E106 G107 F109 A120 A126 N127 F128 | V85-F118 HydrophobicContact CG1-CE2 4.49Å; P103-F118 HydrophobicContact CB-CD1 3.67Å; P103-F118 HydrophobicContact CB-CE1 3.77Å; P103-F118 HydrophobicContact CB-CG 4.07Å; P103-F118 HydrophobicContact CB-CZ 4.24Å; P103-F118 HydrophobicContact CG-CD1 3.51Å; P103-F118 HydrophobicContact CG-CD2 3.63Å; P103-F118 HydrophobicContact CG-CE1 3.35Å; P103-F118 HydrophobicContact CG-CE2 3.43Å; P103-F118 VanDerWaalsContact CG-CE2 3.43Å; P103-F118 HydrophobicContact CG-CG 3.62Å; P103-F118 HydrophobicContact CG-CZ 3.31Å; A105-F118 WeakPolarHBondContact O-CD1 3.27Å; E106-F118 WeakPolarHBondContact CG-O 3.43Å; G107-F118 PolarHBondContact N-O 3.08Å; G107-F118 PolarHBondContact O-N 3.41Å; F109-F118 HydrophobicContact CD1-CB 4.26Å; F109-F118 HydrophobicContact CE1-CB 4.07Å; F109-F118 HydrophobicContact CE1-CD2 4.44Å; F118-A120 HydrophobicContact CE1-CB 3.58Å; F118-A120 HydrophobicContact CZ-CB 3.63Å; F118-A126 HydrophobicContact CD2-CB 3.96Å; F118-A126 HydrophobicContact CE2-CB 3.13Å; F118-A126 HydrophobicContact CZ-CB 3.55Å; F118-N127 WeakPolarHBondContact CA-O 3.35Å; F118-F128 AromaticContact CD2-CD1 3.6Å; F118-F128 HydrophobicContact CD2-CD1 3.6Å; F118-F128 AromaticContact CD2-CE1 3.23Å; F118-F128 HydrophobicContact CD2-CE1 3.23Å; F118-F128 HydrophobicContact CD2-CG 4.49Å; F118-F128 AromaticContact CD2-CZ 3.89Å; F118-F128 HydrophobicContact CD2-CZ 3.89Å; F118-F128 HydrophobicContact CE2-CD1 4.2Å; F118-F128 AromaticContact CE2-CE1 3.42Å; F118-F128 HydrophobicContact CE2-CE1 3.42Å; F118-F128 VanDerWaalsContact CE2-CE1 3.42Å; F118-F128 HydrophobicContact CE2-CE2 4.49Å; F118-F128 AromaticContact CE2-CZ 3.61Å; F118-F128 HydrophobicContact CE2-CZ 3.61Å; F118-F128 HydrophobicContact CG-CE1 4.41Å |
| 119 | S | 90.9 | Very high | 89.6 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 120.3 | 173.2 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | E106 A126 N127 | E106-S119 PolarHBondContact OE1-OG 3.09Å; S119-A126 CarbonylContact O-C 3.52Å; S119-A126 VanDerWaalsContact O-CA 3.31Å; S119-A126 WeakPolarHBondContact O-CA 3.44Å; S119-A126 WeakPolarHBondContact O-CB 3.42Å; S119-N127 PolarHBondContact N-O 2.74Å; S119-N127 PolarHBondContact O-N 2.94Å |
| 120 | A | 87.8 | Confident | 89.8 | Confident | 55 Ų | 55 | 45 Ų | 45 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 157.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | F118 G125 A126 | F118-A120 HydrophobicContact CE1-CB 3.58Å; F118-A120 HydrophobicContact CZ-CB 3.63Å; A120-G125 WeakPolarHBondContact CA-O 3.26Å; A120-A126 HydrophobicContact CB-CB 4.3Å |
| 121 | D | 88.1 | Confident | 89.7 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.1 | 157.3 | 172.3 | -83.7 | 0 | 0 | 0 | 107.8 | T123 T124 G125 | D121-T123 PolarHBondContact O-N 3.38Å; D121-T123 WeakPolarHBondContact OD1-CA 3.49Å; D121-T123 PolarHBondContact OD1-N 2.85Å; D121-T123 PolarHBondContact OD1-OG1 3.24Å; D121-T124 VanDerWaalsContact CB-OG1 3.29Å; D121-T124 WeakPolarHBondContact CB-OG1 3.28Å; D121-T124 PolarHBondContact O-N 3.16Å; D121-T124 PolarHBondContact OD1-N 3.43Å; D121-T124 PolarHBondContact OD1-OG1 2.86Å; D121-G125 PolarHBondContact N-O 3.48Å; D121-G125 PolarHBondContact O-N 2.85Å |
| 122 | E | 87.5 | Confident | 89.5 | Confident | 144 Ų | 144 | 45.1 Ų | 45.1 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.6 | -172.7 | -65.3 | -179.3 | -173.5 | 0 | 0 | 113.6 | P81 L82 | P81-E122 CarbonylContact C-O 3.56Å; P81-E122 VanDerWaalsContact CA-O 3.28Å; P81-E122 WeakPolarHBondContact CA-O 2.87Å; P81-E122 HydrophobicContact CB-CB 4.38Å; L82-E122 PolarHBondContact N-O 3.32Å |
| 123 | T | 89.7 | Confident | 89 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -16.3 | -171.9 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | Q78 D121 | Q78-T123 PolarHBondContact N-O 2.96Å; D121-T123 PolarHBondContact O-N 3.38Å; D121-T123 WeakPolarHBondContact OD1-CA 3.49Å; D121-T123 PolarHBondContact OD1-N 2.85Å; D121-T123 PolarHBondContact OD1-OG1 3.24Å |
| 124 | T | 91.3 | Very high | 88.1 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -10.7 | -173.5 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | H74 V75 T77 D121 | H74-T124 CarbonylContact C-O 3.56Å; H74-T124 VanDerWaalsContact CA-O 3.24Å; H74-T124 WeakPolarHBondContact CA-O 3.1Å; V75-T124 WeakPolarHBondContact CG2-O 3.1Å; V75-T124 PolarHBondContact N-O 3.32Å; T77-T124 HydrophobicContact CG2-CG2 4.11Å; D121-T124 VanDerWaalsContact CB-OG1 3.29Å; D121-T124 WeakPolarHBondContact CB-OG1 3.28Å; D121-T124 PolarHBondContact O-N 3.16Å; D121-T124 PolarHBondContact OD1-N 3.43Å; D121-T124 PolarHBondContact OD1-OG1 2.86Å |
| 125 | G | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 116 | -135.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C73 L82 A120 D121 | C73-G125 WeakPolarHBondContact O-CA 3.46Å; L82-G125 VanDerWaalsContact CD1-N 3.33Å; A120-G125 WeakPolarHBondContact CA-O 3.26Å; D121-G125 PolarHBondContact N-O 3.48Å; D121-G125 PolarHBondContact O-N 2.85Å |
| 126 | A | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 159.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | C73 H74 V85 F118 S119 A120 F128 | C73-A126 CarbonylContact C-O 3.55Å; C73-A126 WeakPolarHBondContact CA-O 3.2Å; C73-A126 PolarHBondContact N-O 3.02Å; C73-A126 PolarHBondContact O-N 3.36Å; H74-A126 PolarHBondContact CD2-O 3.19Å; V85-A126 HydrophobicContact CG1-CB 3.8Å; F118-A126 HydrophobicContact CD2-CB 3.96Å; F118-A126 HydrophobicContact CE2-CB 3.13Å; F118-A126 HydrophobicContact CZ-CB 3.55Å; S119-A126 CarbonylContact O-C 3.52Å; S119-A126 VanDerWaalsContact O-CA 3.31Å; S119-A126 WeakPolarHBondContact O-CA 3.44Å; S119-A126 WeakPolarHBondContact O-CB 3.42Å; A120-A126 HydrophobicContact CB-CB 4.3Å; A126-F128 HydrophobicContact CB-CE2 4.43Å; A126-F128 HydrophobicContact CB-CZ 4.45Å |
| 127 | N | 94.9 | Very high | 83.4 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.2 | 168.3 | -72.7 | -77.4 | 0 | 0 | 0 | 111.8 | T70 A72 H74 F118 S119 | T70-N127 HydrophobicContact CG2-CB 4.37Å; A72-N127 WeakPolarHBondContact CA-OD1 3.15Å; A72-N127 WeakPolarHBondContact CB-OD1 3.36Å; H74-N127 PolarHBondContact NE2-ND2 3.46Å; F118-N127 WeakPolarHBondContact CA-O 3.35Å; S119-N127 PolarHBondContact N-O 2.74Å; S119-N127 PolarHBondContact O-N 2.94Å |
| 128 | F | 94.9 | Very high | 82 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.8 | 171.4 | -58.7 | -81.3 | 0 | 0 | 0 | 109.6 | T70 F71 C73 V85 L87 F109 F116 H117 F118 A126 C148 | T70-F128 CarbonylContact C-O 3.57Å; T70-F128 WeakPolarHBondContact CA-O 3.48Å; F71-F128 HydrophobicContact CB-CB 4.48Å; F71-F128 HydrophobicContact CD1-CD2 4.36Å; F71-F128 PolarHBondContact N-O 3Å; F71-F128 PolarHBondContact O-N 2.97Å; C73-F128 HydrophobicContact CB-CD2 4.13Å; C73-F128 HydrophobicContact CB-CE2 3.7Å; V85-F128 HydrophobicContact CG1-CZ 4.4Å; L87-F128 HydrophobicContact CB-CD1 3.81Å; L87-F128 HydrophobicContact CB-CE1 3.51Å; L87-F128 HydrophobicContact CB-CE2 4.27Å; L87-F128 HydrophobicContact CB-CG 4.32Å; L87-F128 HydrophobicContact CB-CZ 3.76Å; L87-F128 HydrophobicContact CD1-CD2 4.13Å; L87-F128 HydrophobicContact CD1-CE2 4.38Å; L87-F128 HydrophobicContact CD1-CG 4.2Å; L87-F128 HydrophobicContact CD2-CD1 4.11Å; L87-F128 HydrophobicContact CD2-CG 4.32Å; L87-F128 HydrophobicContact CG-CD1 4.37Å; F109-F128 AromaticContact CE1-CD1 3.79Å; F109-F128 HydrophobicContact CE1-CD1 3.79Å; F109-F128 AromaticContact CE1-CE1 3.85Å; F109-F128 HydrophobicContact CE1-CE1 3.85Å; F109-F128 AromaticContact CZ-CD1 3.74Å; F109-F128 HydrophobicContact CZ-CD1 3.74Å; F109-F128 AromaticContact CZ-CE1 3.84Å; F109-F128 HydrophobicContact CZ-CE1 3.84Å; F116-F128 HydrophobicContact CD1-CB 4.1Å; H117-F128 CarbonylContact O-C 3.45Å; F118-F128 AromaticContact CD2-CD1 3.6Å; F118-F128 HydrophobicContact CD2-CD1 3.6Å; F118-F128 AromaticContact CD2-CE1 3.23Å; F118-F128 HydrophobicContact CD2-CE1 3.23Å; F118-F128 HydrophobicContact CD2-CG 4.49Å; F118-F128 AromaticContact CD2-CZ 3.89Å; F118-F128 HydrophobicContact CD2-CZ 3.89Å; F118-F128 HydrophobicContact CE2-CD1 4.2Å; F118-F128 AromaticContact CE2-CE1 3.42Å; F118-F128 HydrophobicContact CE2-CE1 3.42Å; F118-F128 VanDerWaalsContact CE2-CE1 3.42Å; F118-F128 HydrophobicContact CE2-CE2 4.49Å; F118-F128 AromaticContact CE2-CZ 3.61Å; F118-F128 HydrophobicContact CE2-CZ 3.61Å; F118-F128 HydrophobicContact CG-CE1 4.41Å; A126-F128 HydrophobicContact CB-CE2 4.43Å; A126-F128 HydrophobicContact CB-CZ 4.45Å; F128-C148 HydrophobicContact CE2-CB 4.18Å |
| 129 | S | 94.3 | Very high | 80.9 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.1 | -176.7 | -76.7 | 0 | 0 | 0 | 0 | 112.8 | K68 L69 F116 H117 | K68-S129 VanDerWaalsContact CE-OG 3.22Å; K68-S129 WeakPolarHBondContact CE-OG 3.41Å; K68-S129 PolarHBondContact NZ-OG 2.81Å; L69-S129 CarbonylContact O-C 3.51Å; L69-S129 WeakPolarHBondContact O-CA 3.23Å; F116-S129 WeakPolarHBondContact CA-O 3.47Å; H117-S129 PolarHBondContact N-O 3.07Å; H117-S129 PolarHBondContact O-N 3.31Å |
| 130 | I | 91.8 | Very high | 80.3 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.5 | 167.1 | -58.9 | 160.6 | 0 | 0 | 0 | 108.2 | F58 K68 L69 T114 F116 I142 I165 | F58-I130 HydrophobicContact CZ-CG2 4.43Å; K68-I130 WeakPolarHBondContact CA-O 3.47Å; K68-I130 WeakPolarHBondContact CG-O 3.31Å; L69-I130 PolarHBondContact N-O 3.36Å; L69-I130 PolarHBondContact O-N 2.93Å; T114-I130 HydrophobicContact CG2-CD1 3.98Å; T114-I130 HydrophobicContact CG2-CG1 4.02Å; T114-I130 HydrophobicContact CG2-CG2 4.39Å; F116-I130 HydrophobicContact CD1-CD1 4.18Å; F116-I130 HydrophobicContact CD1-CG1 3.65Å; F116-I130 HydrophobicContact CE1-CD1 3.47Å; F116-I130 VanDerWaalsContact CE1-CD1 3.47Å; F116-I130 HydrophobicContact CE1-CG1 3.49Å; F116-I130 VanDerWaalsContact CE1-CG1 3.49Å; F116-I130 HydrophobicContact CE2-CD1 4.38Å; F116-I130 HydrophobicContact CE2-CG1 4.44Å; F116-I130 HydrophobicContact CG-CG1 4.23Å; F116-I130 HydrophobicContact CZ-CD1 3.59Å; F116-I130 HydrophobicContact CZ-CG1 3.92Å; I130-I142 HydrophobicContact CD1-CG2 4.25Å; I130-I142 HydrophobicContact CG2-CD1 3.71Å; I130-I165 HydrophobicContact CD1-CD1 3.43Å; I130-I165 VanDerWaalsContact CD1-CD1 3.43Å |
| 131 | S | 86.1 | Confident | 80.2 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 118.3 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | L67 T133 | L67-S131 CarbonylContact O-C 3.5Å; L67-S131 WeakPolarHBondContact O-CA 3.27Å; S131-T133 PolarHBondContact O-N 3.11Å |
| 132 | L | 82.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 84.1 | 175 | -71.4 | -177.7 | 0 | 0 | 0 | 111.1 | F58 K61 G66 L67 L138 I142 | F58-L132 HydrophobicContact CB-CD1 4.2Å; F58-L132 HydrophobicContact CD1-CD1 3.47Å; F58-L132 VanDerWaalsContact CD1-CD1 3.47Å; F58-L132 HydrophobicContact CD1-CG 4.18Å; F58-L132 HydrophobicContact CE1-CD1 4.01Å; F58-L132 HydrophobicContact CE1-CG 4.22Å; F58-L132 HydrophobicContact CG-CD1 4.02Å; K61-L132 HydrophobicContact CD-CB 4.17Å; K61-L132 WeakPolarHBondContact CE-O 3.32Å; K61-L132 VanDerWaalsContact NZ-C 3.35Å; K61-L132 PolarHBondContact NZ-O 2.77Å; G66-L132 VanDerWaalsContact CA-O 3.29Å; G66-L132 WeakPolarHBondContact CA-O 3.36Å; L67-L132 HydrophobicContact CB-CB 4.38Å; L67-L132 HydrophobicContact CD1-CD1 4.47Å; L67-L132 PolarHBondContact O-N 3.41Å; L132-L138 HydrophobicContact CD2-CD1 3.73Å; L132-I142 HydrophobicContact CD2-CD1 3.55Å; L132-I142 HydrophobicContact CG-CD1 4.36Å |
| 133 | T | 75.2 | Confident | 79.8 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | trans | -78.9 | 172.1 | 177.1 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | K61 S131 D135 | K61-T133 PolarHBondContact NZ-O 2.84Å; S131-T133 PolarHBondContact O-N 3.11Å; T133-D135 PolarHBondContact O-N 2.74Å | ||
| 134 | Q | 62.1 | Low | 79.8 | Confident | 108 Ų | 108 | 47.9 Ų | 47.9 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -42.7 | -168.9 | -75.4 | -171.2 | -112.3 | 0 | 0 | 115 | P63 P64 | P63-Q134 HydrophobicContact CB-CG 4.48Å; P64-Q134 HydrophobicContact CB-CG 4.35Å |
| 135 | D | 56 | Low | 79.9 | Confident | 149 Ų | 149 | 47 Ų | 47 | 80% | 0.797 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7.5 | -162.2 | -50.3 | -66.3 | 0 | 0 | 0 | 113.9 | T133 L137 | T133-D135 PolarHBondContact O-N 2.74Å; D135-L137 PolarHBondContact O-N 2.7Å |
| 136 | G | 53.9 | Low | 80 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | trans | -75.7 | 83.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L138 | G136-L138 PolarHBondContact O-N 3.37Š| ||
| 137 | L | 54.5 | Low | 80.1 | Confident | 136 Ų | 136 | 47.2 Ų | 47.2 | 71% | 0.712 | 28% | 0.281 | S | S | * | . | trans | -75.8 | 79.8 | 162.8 | -145.1 | 166.5 | 0 | 0 | 0 | 108.1 | D135 S139 | D135-L137 PolarHBondContact O-N 2.7Å; L137-S139 PolarHBondContact O-N 3Å | ||
| 138 | L | 63.4 | Low | 80.1 | Confident | 60 Ų | 60 | 45 Ų | 45 | 31% | 0.314 | 27% | 0.269 | S | S | . | . | trans | -48.3 | 133 | -176 | -74.5 | 175.5 | 0 | 0 | 0 | 112.1 | L132 G136 N140 I142 F170 | L132-L138 HydrophobicContact CD2-CD1 3.73Å; G136-L138 PolarHBondContact O-N 3.37Å; L138-N140 WeakPolarHBondContact CB-O 3.5Å; L138-I142 HydrophobicContact CD1-CD1 4.08Å; L138-I142 HydrophobicContact CD1-CG1 3.87Å; L138-F170 HydrophobicContact CB-CD2 4.13Å; L138-F170 WeakPolarHBondContact O-CE2 3Å | ||
| 139 | S | 68 | Low | 80 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 74% | 0.741 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -77.4 | -24.1 | 175 | 53.1 | 0 | 0 | 0 | 0 | 113 | L137 | L137-S139 PolarHBondContact O-N 3Š|
| 140 | N | 78.7 | Confident | 80 | Confident | 72 Ų | 72 | 44.6 Ų | 44.6 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -139.8 | 150.7 | -178.8 | -63 | -81.6 | 0 | 0 | 0 | 109.2 | L138 | L138-N140 WeakPolarHBondContact CB-O 3.5Š|
| 141 | P | 84.2 | Confident | 79.9 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | trans | -67 | 145.9 | 176.5 | 27.9 | -31.9 | 0 | 0 | 0 | 111 | S143 D167 F170 Y171 | P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 2.88Å; P141-D167 HydrophobicContact CB-CB 4.32Å; P141-F170 HydrophobicContact CB-CB 4.13Å; P141-F170 HydrophobicContact CB-CD1 3.53Å; P141-F170 HydrophobicContact CB-CE1 3.97Å; P141-F170 HydrophobicContact CB-CG 3.83Å; P141-F170 HydrophobicContact CG-CD1 4.06Å; P141-F170 HydrophobicContact CG-CE1 3.98Å; P141-Y171 HydrophobicContact CB-CE2 4.23Å | ||
| 142 | I | 82.2 | Confident | 80 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | trans | -75.5 | 90.5 | 164.2 | -62.4 | -177.9 | 0 | 0 | 0 | 107.7 | T114 I130 L132 L138 I165 D167 | T114-I142 HydrophobicContact CG2-CB 4.45Å; T114-I142 HydrophobicContact CG2-CD1 4.07Å; T114-I142 HydrophobicContact CG2-CG1 4.08Å; T114-I142 HydrophobicContact CG2-CG2 3.67Å; I130-I142 HydrophobicContact CD1-CG2 4.25Å; I130-I142 HydrophobicContact CG2-CD1 3.71Å; L132-I142 HydrophobicContact CD2-CD1 3.55Å; L132-I142 HydrophobicContact CG-CD1 4.36Å; L138-I142 HydrophobicContact CD1-CD1 4.08Å; L138-I142 HydrophobicContact CD1-CG1 3.87Å; I142-I165 HydrophobicContact CG2-CG2 3.88Å; I142-D167 HydrophobicContact CB-CB 4.11Å; I142-D167 PolarHBondContact N-OD2 3.15Å; I142-D167 WeakPolarHBondContact O-CB 3.31Å; I142-D167 PolarHBondContact O-N 3.17Å | ||
| 143 | S | 85.1 | Confident | 79.9 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | trans | -148.4 | 142.6 | -178.9 | -66.5 | 0 | 0 | 0 | 0 | 113 | P141 I165 D167 | P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 2.88Å; S143-I165 VanDerWaalsContact CA-O 3.32Å; S143-I165 WeakPolarHBondContact CA-O 3.4Å; S143-D167 PolarHBondContact OG-N 2.87Å | ||
| 144 | G | 90.7 | Very high | 80 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.5 | 179.4 | -173 | 0 | 0 | 0 | 0 | 0 | 111.2 | F146 I165 | G144-F146 WeakPolarHBondContact O-CE2 3.45Å; G144-I165 PolarHBondContact N-O 3.48Å; G144-I165 PolarHBondContact O-N 3.04Å |
| 145 | L | 93.9 | Very high | 80.7 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.6 | 174.2 | -62.8 | 92.7 | 0 | 0 | 0 | 110 | C89 R90 V93 E162 E164 | C89-L145 VanDerWaalsContact CA-O 3.29Å; C89-L145 WeakPolarHBondContact CA-O 3.33Å; R90-L145 HydrophobicContact CG-CB 4.18Å; R90-L145 PolarHBondContact N-O 2.83Å; R90-L145 PolarHBondContact O-N 2.87Å; V93-L145 HydrophobicContact CG2-CD1 4.12Å; V93-L145 HydrophobicContact CG2-CD2 3.73Å; L145-E162 HydrophobicContact CB-CB 4.43Å; L145-E162 HydrophobicContact CB-CG 4.39Å; L145-E162 HydrophobicContact CD2-CB 4.28Å; L145-E162 WeakPolarHBondContact CD2-OE2 3.45Å; L145-E164 HydrophobicContact CD2-CB 4.37Å; L145-E164 HydrophobicContact CG-CB 4.14Å; L145-E164 HydrophobicContact CG-CG 4.16Å |
| 146 | F | 94.8 | Very high | 82 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128 | -175.2 | -57.4 | -90.6 | 0 | 0 | 0 | 110 | L87 C88 C89 C111 L112 F116 G144 E162 I163 I165 | L87-F146 HydrophobicContact CD1-CB 4.41Å; L87-F146 HydrophobicContact CD2-CD1 4.23Å; C88-F146 VanDerWaalsContact O-CA 3.31Å; C88-F146 WeakPolarHBondContact O-CA 3.14Å; C89-F146 HydrophobicContact CB-CD1 3.56Å; C89-F146 HydrophobicContact CB-CE1 3.51Å; C89-F146 HydrophobicContact CB-CZ 4.48Å; C111-F146 HydrophobicContact CB-CE1 4.37Å; L112-F146 HydrophobicContact CD1-CE1 4.46Å; L112-F146 HydrophobicContact CD1-CZ 4.21Å; F116-F146 HydrophobicContact CE1-CD1 4.5Å; F116-F146 AromaticContact CE2-CD1 3.99Å; F116-F146 HydrophobicContact CE2-CD1 3.99Å; F116-F146 AromaticContact CE2-CE1 3.55Å; F116-F146 HydrophobicContact CE2-CE1 3.55Å; F116-F146 HydrophobicContact CE2-CZ 4.24Å; F116-F146 AromaticContact CZ-CD1 3.51Å; F116-F146 HydrophobicContact CZ-CD1 3.51Å; F116-F146 AromaticContact CZ-CE1 3.43Å; F116-F146 HydrophobicContact CZ-CE1 3.43Å; F116-F146 VanDerWaalsContact CZ-CE1 3.43Å; F116-F146 HydrophobicContact CZ-CG 4.17Å; F116-F146 HydrophobicContact CZ-CZ 4.03Å; G144-F146 WeakPolarHBondContact O-CE2 3.45Å; F146-E162 CarbonylContact O-C 3.51Å; F146-E162 WeakPolarHBondContact O-CA 3.29Å; F146-I163 PolarHBondContact N-O 2.81Å; F146-I163 PolarHBondContact O-N 2.75Å; F146-I165 HydrophobicContact CD2-CB 4.42Å; F146-I165 HydrophobicContact CD2-CD1 3.69Å; F146-I165 HydrophobicContact CD2-CG1 3.82Å; F146-I165 HydrophobicContact CE2-CB 4.09Å; F146-I165 HydrophobicContact CE2-CD1 3.7Å; F146-I165 HydrophobicContact CE2-CG1 3.91Å |
| 147 | S | 95.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154 | 169.1 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | C88 R98 E159 S160 | C88-S147 PolarHBondContact N-O 3.27Å; C88-S147 PolarHBondContact O-N 3.1Å; R98-S147 PolarHBondContact NE-OG 2.96Å; R98-S147 PolarHBondContact NH2-OG 2.82Å; S147-E159 PolarHBondContact OG-OE1 3.06Å; S147-S160 WeakPolarHBondContact CA-OG 3.43Å; S147-S160 WeakPolarHBondContact CB-OG 3.48Å |
| 148 | C | 95.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 153.1 | 177.4 | 75.4 | 0 | 0 | 0 | 0 | 112 | F71 C73 S86 L87 F128 E159 S160 | F71-C148 HydrophobicContact CE1-CB 3.81Å; F71-C148 HydrophobicContact CZ-CB 4.18Å; C73-C148 HydrophobicContact CB-CB 3.62Å; C73-C148 WeakPolarHBondContact CB-SG 3.39Å; C73-C148 WeakPolarHBondContact SG-CB 3.09Å; C73-C148 CovalentContact SG-SG 2.02Å; C73-C148 PolarHBondContact SG-SG 2.96Å; S86-C148 CarbonylContact O-C 3.59Å; S86-C148 WeakPolarHBondContact O-CA 3.32Å; S86-C148 WeakPolarHBondContact O-CB 3.2Å; L87-C148 HydrophobicContact CD1-CB 4.46Å; F128-C148 HydrophobicContact CE2-CB 4.18Å; C148-E159 WeakPolarHBondContact O-CA 3.25Å; C148-S160 PolarHBondContact N-OG 2.85Å; C148-S160 PolarHBondContact O-N 3.07Å |
| 149 | I | 93.8 | Very high | 86.8 | Confident | 8 Ų | 8 | 25.7 Ų | 25.7 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133 | 175.2 | -61.1 | 178.9 | 0 | 0 | 0 | 108 | K84 V85 S86 C88 V157 I158 E159 | K84-I149 HydrophobicContact CD-CG2 4.07Å; V85-I149 WeakPolarHBondContact CA-O 3.15Å; S86-I149 PolarHBondContact N-O 3.41Å; S86-I149 PolarHBondContact O-N 3.35Å; C88-I149 VanDerWaalsContact SG-CD1 3.53Å; I149-V157 HydrophobicContact CG2-CG1 3.29Å; I149-I158 WeakPolarHBondContact CA-O 3.47Å; I149-E159 HydrophobicContact CG1-CB 4.26Å; I149-E159 HydrophobicContact CG1-CG 3.94Å |
| 150 | V | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137 | 171.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | L21 F23 C73 V75 L82 K84 V157 I158 | L21-V150 HydrophobicContact CD1-CG1 4.47Å; L21-V150 HydrophobicContact CD2-CG1 4.2Å; F23-V150 HydrophobicContact CE1-CB 4.4Å; F23-V150 HydrophobicContact CE1-CG2 4.03Å; C73-V150 WeakPolarHBondContact SG-CG2 3.35Å; V75-V150 HydrophobicContact CG1-CB 4.01Å; V75-V150 HydrophobicContact CG1-CG1 3.82Å; V75-V150 HydrophobicContact CG1-CG2 4.12Å; V75-V150 HydrophobicContact CG2-CG1 3.96Å; L82-V150 HydrophobicContact CD1-CG1 3.91Å; L82-V150 HydrophobicContact CD2-CG1 3.71Å; L82-V150 HydrophobicContact CG-CG1 4.36Å; K84-V150 CarbonylContact O-C 3.54Å; K84-V150 VanDerWaalsContact O-CA 3.3Å; K84-V150 WeakPolarHBondContact O-CA 3.34Å; V150-V157 CarbonylContact O-C 3.59Å; V150-V157 WeakPolarHBondContact O-CA 3.25Å; V150-I158 HydrophobicContact CB-CG1 4.41Å; V150-I158 PolarHBondContact N-O 2.83Å; V150-I158 PolarHBondContact O-N 3.04Å |
| 151 | G | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 151.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | D83 K84 N156 | D83-G151 PolarHBondContact N-O 3.13Å; K84-G151 PolarHBondContact N-O 2.8Å; K84-G151 PolarHBondContact O-N 2.68Å; G151-N156 CarbonylContact C-O 3.59Å; G151-N156 WeakPolarHBondContact CA-O 3.32Å |
| 152 | T | 86.6 | Confident | 89.3 | Confident | 35 Ų | 35 | 16.6 Ų | 16.6 | 22% | 0.215 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -113.9 | -10 | 176.6 | 44.1 | 0 | 0 | 0 | 0 | 114.2 | L21 Q78 L82 N156 | L21-T152 HydrophobicContact CD1-CG2 4.25Å; L21-T152 HydrophobicContact CD2-CG2 4.13Å; L21-T152 HydrophobicContact CG-CG2 4.33Å; Q78-T152 HydrophobicContact CG-CG2 3.99Å; L82-T152 HydrophobicContact CD2-CG2 3.67Å; T152-N156 PolarHBondContact N-O 2.86Å; T152-N156 WeakPolarHBondContact OG1-CB 3.47Å |
| 153 | D | 81.4 | Confident | 89.9 | Confident | 44 Ų | 44 | 16.4 Ų | 16.4 | 24% | 0.235 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -160.5 | -169.7 | 158 | 73 | -6 | 0 | 0 | 0 | 109 | L155 N156 V157 K472 | D153-L155 PolarHBondContact O-N 2.89Å; D153-L155 VanDerWaalsContact O-N 3.15Å; D153-L155 WeakPolarHBondContact OD1-CA 3.31Å; D153-L155 WeakPolarHBondContact OD1-CB 3.27Å; D153-L155 PolarHBondContact OD1-N 2.97Å; D153-N156 PolarHBondContact OD1-N 3.03Å; D153-N156 PolarHBondContact OD1-ND2 3.42Å; D153-V157 WeakPolarHBondContact O-CG2 3.5Å; D153-K472 IonicContact OD2-NZ 3.26Å; D153-K472 PolarHBondContact OD2-NZ 2.65Å |
| 154 | E | 76.8 | Confident | 90.3 | Very high | 126 Ų | 126 | 16.1 Ų | 16.1 | 59% | 0.589 | 8% | 0.083 | S | C | * | . | S | Bend | trans | -61.2 | -16.8 | 176.6 | -64.1 | -172.4 | 153.9 | 0 | 0 | 114.9 | S471 | E154-S471 WeakPolarHBondContact OE2-CB 3.22Å; E154-S471 PolarHBondContact OE2-OG 2.91Å |
| 155 | L | 76.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -106.7 | -40.5 | -175.5 | -56.8 | -171.8 | 0 | 0 | 0 | 113.8 | D153 V157 A450 L468 K472 L475 D505 | D153-L155 PolarHBondContact O-N 2.89Å; D153-L155 VanDerWaalsContact O-N 3.15Å; D153-L155 WeakPolarHBondContact OD1-CA 3.31Å; D153-L155 WeakPolarHBondContact OD1-CB 3.27Å; D153-L155 PolarHBondContact OD1-N 2.97Å; L155-V157 VanDerWaalsContact C-N 3.29Å; L155-V157 PolarHBondContact O-N 2.85Å; L155-V157 VanDerWaalsContact O-N 3.13Å; L155-A450 HydrophobicContact CB-CB 4.33Å; L155-A450 HydrophobicContact CD2-CB 3.85Å; L155-L468 HydrophobicContact CD2-CD2 4.03Å; L155-K472 HydrophobicContact CD1-CD 3.35Å; L155-K472 VanDerWaalsContact CD1-NZ 3.34Å; L155-K472 HydrophobicContact CD2-CD 4.32Å; L155-K472 HydrophobicContact CG-CD 3.84Å; L155-L475 HydrophobicContact CD1-CD1 3.39Å; L155-L475 HydrophobicContact CD2-CD1 3.4Å; L155-L475 HydrophobicContact CG-CD1 3.98Å; L155-D505 WeakPolarHBondContact CD1-O 3.49Å |
| 156 | N | 82.4 | Confident | 90.3 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 11% | 0.107 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -89.4 | 78 | -176.6 | -63.3 | -92.5 | 0 | 0 | 0 | 106.5 | L21 G151 T152 D153 K526 | L21-N156 VanDerWaalsContact CD1-O 3.23Å; L21-N156 WeakPolarHBondContact CD1-O 3.22Å; G151-N156 CarbonylContact C-O 3.59Å; G151-N156 WeakPolarHBondContact CA-O 3.32Å; T152-N156 PolarHBondContact N-O 2.86Å; T152-N156 WeakPolarHBondContact OG1-CB 3.47Å; D153-N156 PolarHBondContact OD1-N 3.03Å; D153-N156 PolarHBondContact OD1-ND2 3.42Å; N156-K526 PolarHBondContact OD1-NZ 2.86Å |
| 157 | V | 88.2 | Confident | 90.1 | Very high | 8 Ų | 8 | 15.9 Ų | 15.9 | 5% | 0.048 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 119.7 | -175.7 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | I149 V150 D153 L155 S451 E507 | I149-V157 HydrophobicContact CG2-CG1 3.29Å; V150-V157 CarbonylContact O-C 3.59Å; V150-V157 WeakPolarHBondContact O-CA 3.25Å; D153-V157 WeakPolarHBondContact O-CG2 3.5Å; L155-V157 VanDerWaalsContact C-N 3.29Å; L155-V157 PolarHBondContact O-N 2.85Å; L155-V157 VanDerWaalsContact O-N 3.13Å; V157-S451 WeakPolarHBondContact CB-OG 3.46Å; V157-S451 VanDerWaalsContact CG1-OG 3.27Å; V157-S451 WeakPolarHBondContact CG1-OG 3.33Å; V157-E507 WeakPolarHBondContact O-CG 3.27Å |
| 158 | I | 91.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.4 | 175.2 | 56.7 | 170 | 0 | 0 | 0 | 111 | L21 F23 V75 I149 V150 E507 | L21-I158 HydrophobicContact CB-CD1 3.81Å; L21-I158 HydrophobicContact CB-CG1 3.99Å; L21-I158 HydrophobicContact CB-CG2 4.29Å; L21-I158 HydrophobicContact CD1-CG1 4.48Å; F23-I158 HydrophobicContact CD1-CD1 3.81Å; F23-I158 HydrophobicContact CD2-CD1 3.85Å; F23-I158 HydrophobicContact CE1-CD1 3.71Å; F23-I158 HydrophobicContact CE1-CG1 3.97Å; F23-I158 HydrophobicContact CE2-CB 4.1Å; F23-I158 HydrophobicContact CE2-CD1 3.72Å; F23-I158 HydrophobicContact CE2-CG1 3.95Å; F23-I158 HydrophobicContact CG-CD1 3.89Å; F23-I158 HydrophobicContact CZ-CB 4.13Å; F23-I158 HydrophobicContact CZ-CD1 3.67Å; F23-I158 HydrophobicContact CZ-CG1 3.62Å; V75-I158 HydrophobicContact CG1-CD1 3.9Å; I149-I158 WeakPolarHBondContact CA-O 3.47Å; V150-I158 HydrophobicContact CB-CG1 4.41Å; V150-I158 PolarHBondContact N-O 2.83Å; V150-I158 PolarHBondContact O-N 3.04Å; I158-E507 HydrophobicContact CG2-CG 3.95Å |
| 159 | E | 93.2 | Very high | 89.4 | Confident | 26 Ų | 26 | 16.3 Ų | 16.3 | 12% | 0.121 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.5 | 178.4 | -175 | -178.1 | 125 | 0 | 0 | 111.2 | R98 S147 C148 I149 R520 | R98-E159 VanDerWaalsContact CZ-CD 3.44Å; R98-E159 IonicContact CZ-OE1 3.4Å; R98-E159 IonicContact CZ-OE2 3.53Å; R98-E159 IonicContact NH1-OE1 2.77Å; R98-E159 IonicContact NH1-OE2 3.54Å; R98-E159 PolarHBondContact NH1-OE2 2.75Å; R98-E159 IonicContact NH2-OE1 3.37Å; R98-E159 PolarHBondContact NH2-OE1 3.05Å; R98-E159 IonicContact NH2-OE2 2.7Å; R98-E159 PolarHBondContact NH2-OE2 2.9Å; S147-E159 PolarHBondContact OG-OE1 3.06Å; C148-E159 WeakPolarHBondContact O-CA 3.25Å; I149-E159 HydrophobicContact CG1-CB 4.26Å; I149-E159 HydrophobicContact CG1-CG 3.94Å; E159-R520 VanDerWaalsContact CD-NH2 3.31Å; E159-R520 VanDerWaalsContact CG-NH1 3.31Å; E159-R520 IonicContact OE1-CZ 3.89Å; E159-R520 VanDerWaalsContact OE1-CZ 3.23Å; E159-R520 IonicContact OE1-NH1 3.64Å; E159-R520 PolarHBondContact OE1-NH1 3.29Å; E159-R520 IonicContact OE1-NH2 2.67Å; E159-R520 PolarHBondContact OE1-NH2 2.91Å; E159-R520 IonicContact OE2-NH2 2.91Å |
| 160 | S | 94.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 164.8 | 179 | 78.5 | 0 | 0 | 0 | 0 | 112.4 | S147 C148 R520 | S147-S160 WeakPolarHBondContact CA-OG 3.43Å; S147-S160 WeakPolarHBondContact CB-OG 3.48Å; C148-S160 PolarHBondContact N-OG 2.85Å; C148-S160 PolarHBondContact O-N 3.07Å; S160-R520 PolarHBondContact O-NH1 3.44Å |
| 161 | N | 94.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 19 Ų | 19 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 157.6 | 157.7 | -81.5 | -77.2 | 0 | 0 | 0 | 111.2 | A50 N51 S519 R520 | A50-N161 WeakPolarHBondContact O-CB 3.49Å; A50-N161 PolarHBondContact O-ND2 3.05Å; N51-N161 PolarHBondContact O-ND2 2.93Å; N161-S519 VanDerWaalsContact OD1-CA 3.24Å; N161-S519 WeakPolarHBondContact OD1-CA 3.07Å; N161-R520 PolarHBondContact ND2-O 2.91Å; N161-R520 PolarHBondContact OD1-N 3.26Å |
| 162 | E | 94.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 149.6 | 179.6 | -78.6 | -179.5 | 143.9 | 0 | 0 | 112.1 | Q53 R54 R90 L145 F146 Q518 | Q53-E162 WeakPolarHBondContact CA-O 3.44Å; Q53-E162 HydrophobicContact CG-CB 4.4Å; Q53-E162 WeakPolarHBondContact CG-O 3.24Å; R54-E162 PolarHBondContact N-O 3.47Å; R54-E162 VanDerWaalsContact N-O 3.1Å; R90-E162 IonicContact CZ-OE1 3.61Å; R90-E162 IonicContact CZ-OE2 2.69Å; R90-E162 IonicContact NE-OE1 3.8Å; R90-E162 PolarHBondContact NE-OE1 2.88Å; R90-E162 IonicContact NE-OE2 2.66Å; R90-E162 IonicContact NH2-OE1 2.61Å; R90-E162 PolarHBondContact NH2-OE1 3.04Å; R90-E162 IonicContact NH2-OE2 3.09Å; R90-E162 PolarHBondContact NH2-OE2 3.38Å; L145-E162 HydrophobicContact CB-CB 4.43Å; L145-E162 HydrophobicContact CB-CG 4.39Å; L145-E162 HydrophobicContact CD2-CB 4.28Å; L145-E162 WeakPolarHBondContact CD2-OE2 3.45Å; F146-E162 CarbonylContact O-C 3.51Å; F146-E162 WeakPolarHBondContact O-CA 3.29Å; E162-Q518 VanDerWaalsContact CD-NE2 3.28Å; E162-Q518 VanDerWaalsContact OE2-CD 3.23Å; E162-Q518 PolarHBondContact OE2-NE2 3.1Å; E162-Q518 VanDerWaalsContact OE2-NE2 3.08Å |
| 163 | I | 95.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.4 | 167.8 | -61.5 | 167.1 | 0 | 0 | 0 | 106.2 | L46 R54 V56 F71 F146 I165 | L46-I163 HydrophobicContact CB-CD1 4.2Å; L46-I163 HydrophobicContact CD1-CD1 3.81Å; L46-I163 HydrophobicContact CD1-CG1 4.28Å; L46-I163 HydrophobicContact CD1-CG2 4.04Å; R54-I163 WeakPolarHBondContact O-CA 3.34Å; V56-I163 HydrophobicContact CG2-CG2 3.78Å; F71-I163 HydrophobicContact CB-CD1 4.27Å; F71-I163 HydrophobicContact CD1-CD1 3.94Å; F71-I163 HydrophobicContact CD2-CD1 3.4Å; F71-I163 HydrophobicContact CE1-CD1 4.08Å; F71-I163 HydrophobicContact CE2-CD1 3.58Å; F71-I163 HydrophobicContact CG-CD1 3.6Å; F71-I163 HydrophobicContact CZ-CD1 3.92Å; F146-I163 PolarHBondContact N-O 2.81Å; F146-I163 PolarHBondContact O-N 2.75Å; I163-I165 HydrophobicContact CG2-CG1 4.33Å |
| 164 | E | 93.7 | Very high | 88.2 | Confident | 24 Ų | 24 | 23.3 Ų | 23.3 | 11% | 0.112 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.7 | 172.3 | -174.1 | -172.6 | 171.4 | 0 | 0 | 109.2 | R54 I55 V56 L145 R166 | R54-E164 PolarHBondContact O-N 3.39Å; I55-E164 CarbonylContact C-O 3.57Å; I55-E164 WeakPolarHBondContact CA-O 3.5Å; I55-E164 HydrophobicContact CG1-CB 4.21Å; I55-E164 HydrophobicContact CG2-CB 4.32Å; V56-E164 PolarHBondContact N-O 3.38Å; L145-E164 HydrophobicContact CD2-CB 4.37Å; L145-E164 HydrophobicContact CG-CB 4.14Å; L145-E164 HydrophobicContact CG-CG 4.16Å; E164-R166 VanDerWaalsContact CD-NE 3.28Å; E164-R166 HydrophobicContact CG-CG 4.4Å; E164-R166 IonicContact OE1-CZ 3.17Å; E164-R166 IonicContact OE1-NE 2.98Å; E164-R166 PolarHBondContact OE1-NE 3.15Å; E164-R166 IonicContact OE1-NH2 2.67Å; E164-R166 PolarHBondContact OE1-NH2 3.34Å; E164-R166 IonicContact OE2-CZ 2.59Å; E164-R166 IonicContact OE2-NE 3.76Å; E164-R166 IonicContact OE2-NH2 2.76Å; E164-R166 PolarHBondContact OE2-NH2 3.02Å |
| 165 | I | 93.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.1 | 175.2 | -55.2 | -179.8 | 0 | 0 | 0 | 109.6 | F58 L69 I130 I142 S143 G144 F146 I163 | F58-I165 HydrophobicContact CD2-CG2 3.61Å; F58-I165 HydrophobicContact CE2-CG2 3.49Å; F58-I165 VanDerWaalsContact CE2-CG2 3.49Å; L69-I165 HydrophobicContact CD2-CD1 3.73Å; L69-I165 HydrophobicContact CD2-CG1 4.2Å; I130-I165 HydrophobicContact CD1-CD1 3.43Å; I130-I165 VanDerWaalsContact CD1-CD1 3.43Å; I142-I165 HydrophobicContact CG2-CG2 3.88Å; S143-I165 VanDerWaalsContact CA-O 3.32Å; S143-I165 WeakPolarHBondContact CA-O 3.4Å; G144-I165 PolarHBondContact N-O 3.48Å; G144-I165 PolarHBondContact O-N 3.04Å; F146-I165 HydrophobicContact CD2-CB 4.42Å; F146-I165 HydrophobicContact CD2-CD1 3.69Å; F146-I165 HydrophobicContact CD2-CG1 3.82Å; F146-I165 HydrophobicContact CE2-CB 4.09Å; F146-I165 HydrophobicContact CE2-CD1 3.7Å; F146-I165 HydrophobicContact CE2-CG1 3.91Å; I163-I165 HydrophobicContact CG2-CG1 4.33Å |
| 166 | R | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 102.9 | -179.1 | -69.8 | -178.1 | 176.9 | 176.7 | 2.6 | 109.7 | I55 V56 Y57 F58 E164 A168 W211 N329 | I55-R166 HydrophobicContact CG2-CG 4.21Å; V56-R166 PolarHBondContact O-N 3.15Å; Y57-R166 WeakPolarHBondContact CA-O 3.27Å; Y57-R166 HydrophobicContact CD1-CB 4.02Å; Y57-R166 HydrophobicContact CE1-CB 4.47Å; Y57-R166 HydrophobicContact CG-CB 4.4Å; Y57-R166 PolarHBondContact OH-NH1 3.43Å; F58-R166 PolarHBondContact N-O 3.45Å; E164-R166 VanDerWaalsContact CD-NE 3.28Å; E164-R166 HydrophobicContact CG-CG 4.4Å; E164-R166 IonicContact OE1-CZ 3.17Å; E164-R166 IonicContact OE1-NE 2.98Å; E164-R166 PolarHBondContact OE1-NE 3.15Å; E164-R166 IonicContact OE1-NH2 2.67Å; E164-R166 PolarHBondContact OE1-NH2 3.34Å; E164-R166 IonicContact OE2-CZ 2.59Å; E164-R166 IonicContact OE2-NE 3.76Å; E164-R166 IonicContact OE2-NH2 2.76Å; E164-R166 PolarHBondContact OE2-NH2 3.02Å; R166-A168 PolarHBondContact O-N 2.95Å; R166-W211 HydrophobicContact CB-CD2 4.16Å; R166-W211 HydrophobicContact CB-CE3 4.07Å; R166-W211 HydrophobicContact CB-CH2 3.68Å; R166-W211 HydrophobicContact CB-CZ2 3.71Å; R166-W211 HydrophobicContact CB-CZ3 3.83Å; R166-W211 HydrophobicContact CG-CD2 3.95Å; R166-W211 HydrophobicContact CG-CE3 4.32Å; R166-W211 HydrophobicContact CG-CG 4.41Å; R166-W211 HydrophobicContact CG-CH2 4.37Å; R166-W211 HydrophobicContact CG-CZ2 3.95Å; R166-N329 PolarHBondContact NH1-ND2 3.32Å |
| 167 | D | 90 | Very high | 88.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 86 | -178 | 180 | 5 | 0 | 0 | 0 | 111.2 | P141 I142 S143 V169 F170 Y171 | P141-D167 HydrophobicContact CB-CB 4.32Å; I142-D167 HydrophobicContact CB-CB 4.11Å; I142-D167 PolarHBondContact N-OD2 3.15Å; I142-D167 WeakPolarHBondContact O-CB 3.31Å; I142-D167 PolarHBondContact O-N 3.17Å; S143-D167 PolarHBondContact OG-N 2.87Å; D167-V169 VanDerWaalsContact C-N 3.33Å; D167-V169 PolarHBondContact OD1-N 3.18Å; D167-F170 HydrophobicContact CB-CB 4.45Å; D167-F170 PolarHBondContact OD1-N 3.1Å; D167-F170 WeakPolarHBondContact OD2-CB 3.33Å; D167-Y171 WeakPolarHBondContact O-CD2 3.48Å; D167-Y171 WeakPolarHBondContact O-CE2 3.36Å |
| 168 | A | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.7 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F58 R166 F170 Y171 I172 W211 M212 L215 | F58-A168 VanDerWaalsContact O-CB 3.32Å; F58-A168 WeakPolarHBondContact O-CB 3.35Å; F58-A168 PolarHBondContact O-N 3.29Å; R166-A168 PolarHBondContact O-N 2.95Å; A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 2.65Å; A168-Y171 PolarHBondContact O-N 2.88Å; A168-Y171 VanDerWaalsContact O-N 3.13Å; A168-I172 HydrophobicContact CB-CD1 4.01Å; A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.01Å; A168-I172 VanDerWaalsContact O-CG1 3.28Å; A168-I172 WeakPolarHBondContact O-CG1 3.46Å; A168-I172 PolarHBondContact O-N 3.12Å; A168-W211 HydrophobicContact CB-CZ3 4.15Å; A168-M212 HydrophobicContact CB-CE 4.32Å; A168-M212 HydrophobicContact CB-SD 3.87Å; A168-L215 HydrophobicContact CB-CD1 3.27Å |
| 169 | V | 87.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.7 | -43 | 178.8 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | F58 K61 L67 D167 Y171 I172 L173 | F58-V169 PolarHBondContact O-N 3.04Å; F58-V169 VanDerWaalsContact O-N 3.15Å; K61-V169 HydrophobicContact CB-CG1 4.17Å; K61-V169 HydrophobicContact CB-CG2 3.98Å; K61-V169 HydrophobicContact CD-CG1 4.47Å; L67-V169 HydrophobicContact CD1-CG2 4.37Å; D167-V169 VanDerWaalsContact C-N 3.33Å; D167-V169 PolarHBondContact OD1-N 3.18Å; V169-Y171 PolarHBondContact O-N 3.12Å; V169-I172 PolarHBondContact O-N 3.24Å; V169-L173 HydrophobicContact CG1-CD1 3.65Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CB 3.31Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 WeakPolarHBondContact O-CG 3.21Å; V169-L173 PolarHBondContact O-N 3.09Å |
| 170 | F | 86.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 15% | 0.149 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.4 | -51.5 | 173.2 | 172.3 | -96.4 | 0 | 0 | 0 | 112.5 | L138 P141 D167 A168 L173 Q174 | L138-F170 HydrophobicContact CB-CD2 4.13Å; L138-F170 WeakPolarHBondContact O-CE2 3Å; P141-F170 HydrophobicContact CB-CB 4.13Å; P141-F170 HydrophobicContact CB-CD1 3.53Å; P141-F170 HydrophobicContact CB-CE1 3.97Å; P141-F170 HydrophobicContact CB-CG 3.83Å; P141-F170 HydrophobicContact CG-CD1 4.06Å; P141-F170 HydrophobicContact CG-CE1 3.98Å; D167-F170 HydrophobicContact CB-CB 4.45Å; D167-F170 PolarHBondContact OD1-N 3.1Å; D167-F170 WeakPolarHBondContact OD2-CB 3.33Å; A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 2.65Å; F170-L173 PolarHBondContact O-N 3.16Å; F170-Q174 WeakPolarHBondContact O-CG 2.89Å; F170-Q174 PolarHBondContact O-N 2.92Å |
| 171 | Y | 86.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | -179.7 | -63.8 | -69.9 | 0 | 0 | 0 | 112.2 | P141 D167 A168 V169 L173 Q174 W208 P209 W211 M212 | P141-Y171 HydrophobicContact CB-CE2 4.23Å; D167-Y171 WeakPolarHBondContact O-CD2 3.48Å; D167-Y171 WeakPolarHBondContact O-CE2 3.36Å; A168-Y171 PolarHBondContact O-N 2.88Å; A168-Y171 VanDerWaalsContact O-N 3.13Å; V169-Y171 PolarHBondContact O-N 3.12Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3.37Å; Y171-Q174 VanDerWaalsContact O-CB 3.3Å; Y171-Q174 WeakPolarHBondContact O-CB 3.49Å; Y171-Q174 PolarHBondContact O-N 3.35Å; Y171-Q174 VanDerWaalsContact O-N 3.11Å; Y171-W208 AromaticContact CD1-CD1 3.67Å; Y171-W208 HydrophobicContact CD1-CG 4.14Å; Y171-W208 AromaticContact CD1-NE1 3.92Å; Y171-W208 HydrophobicContact CG-CG 4.46Å; Y171-W208 VanDerWaalsContact O-CZ2 3.25Å; Y171-W208 WeakPolarHBondContact O-CZ2 3.48Å; Y171-P209 HydrophobicContact CE1-CG 4.18Å; Y171-P209 HydrophobicContact CE2-CG 3.68Å; Y171-P209 VanDerWaalsContact CZ-CG 3.45Å; Y171-P209 VanDerWaalsContact OH-CG 3.24Å; Y171-P209 WeakPolarHBondContact OH-CG 3.25Å; Y171-W211 HydrophobicContact CD2-CH2 4.1Å; Y171-W211 AromaticContact CE2-CH2 4Å; Y171-W211 HydrophobicContact CE2-CH2 4Å; Y171-W211 HydrophobicContact CE2-CZ2 4Å; Y171-M212 HydrophobicContact CD2-CG 4.3Å; Y171-M212 HydrophobicContact CD2-SD 3.88Å; Y171-M212 HydrophobicContact CG-CE 4.49Å; Y171-M212 HydrophobicContact CG-SD 4.29Å |
| 172 | I | 83.3 | Confident | 87.7 | Confident | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.9 | -70.8 | 159.2 | 0 | 0 | 0 | 111.2 | A168 V169 Q174 L175 M212 Y219 P221 | A168-I172 HydrophobicContact CB-CD1 4.01Å; A168-I172 WeakPolarHBondContact O-CB 3.41Å; A168-I172 WeakPolarHBondContact O-CD1 3.01Å; A168-I172 VanDerWaalsContact O-CG1 3.28Å; A168-I172 WeakPolarHBondContact O-CG1 3.46Å; A168-I172 PolarHBondContact O-N 3.12Å; V169-I172 PolarHBondContact O-N 3.24Å; I172-Q174 PolarHBondContact O-N 3.33Å; I172-L175 WeakPolarHBondContact O-CB 3.21Å; I172-L175 PolarHBondContact O-N 3.13Å; I172-L175 VanDerWaalsContact O-N 3.12Å; I172-M212 HydrophobicContact CG1-CE 4.24Å; I172-Y219 WeakPolarHBondContact CD1-O 3.38Å; I172-P221 HydrophobicContact CG2-CB 4.31Å; I172-P221 HydrophobicContact CG2-CG 4.35Å |
| 173 | L | 81.3 | Confident | 87.7 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 49% | 0.492 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.5 | 177 | -72.7 | 172.3 | 0 | 0 | 0 | 114.3 | V169 F170 Y171 K176 | V169-L173 HydrophobicContact CG1-CD1 3.65Å; V169-L173 HydrophobicContact CG1-CG 4.2Å; V169-L173 VanDerWaalsContact O-CB 3.31Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 WeakPolarHBondContact O-CG 3.21Å; V169-L173 PolarHBondContact O-N 3.09Å; F170-L173 PolarHBondContact O-N 3.16Å; Y171-L173 VanDerWaalsContact C-N 3.32Å; Y171-L173 PolarHBondContact O-N 3.37Å; L173-K176 WeakPolarHBondContact O-CE 3.41Å; L173-K176 WeakPolarHBondContact O-CG 3.43Å |
| 174 | Q | 82.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 42.9 Ų | 42.9 | 27% | 0.271 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26.1 | 169.8 | -61.2 | 173.1 | 4.2 | 0 | 0 | 112.4 | F170 Y171 I172 K176 I204 | F170-Q174 WeakPolarHBondContact O-CG 2.89Å; F170-Q174 PolarHBondContact O-N 2.92Å; Y171-Q174 VanDerWaalsContact O-CB 3.3Å; Y171-Q174 WeakPolarHBondContact O-CB 3.49Å; Y171-Q174 PolarHBondContact O-N 3.35Å; Y171-Q174 VanDerWaalsContact O-N 3.11Å; I172-Q174 PolarHBondContact O-N 3.33Å; Q174-K176 PolarHBondContact O-N 3.19Å; Q174-I204 HydrophobicContact CB-CD1 3.71Å; Q174-I204 HydrophobicContact CB-CG1 4.35Å; Q174-I204 HydrophobicContact CG-CD1 4.33Å |
| 175 | L | 82.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -77.8 | 70.1 | 179 | -69.2 | 177.6 | 0 | 0 | 0 | 111.5 | I172 I204 V205 W208 P221 Y222 I254 H277 | I172-L175 WeakPolarHBondContact O-CB 3.21Å; I172-L175 PolarHBondContact O-N 3.13Å; I172-L175 VanDerWaalsContact O-N 3.12Å; L175-I204 HydrophobicContact CD2-CG2 3.76Å; L175-V205 HydrophobicContact CD2-CG2 3.89Å; L175-W208 HydrophobicContact CD1-CH2 3.51Å; L175-W208 HydrophobicContact CD1-CZ2 3.81Å; L175-W208 HydrophobicContact CD2-CZ2 4.38Å; L175-W208 HydrophobicContact CG-CH2 4.09Å; L175-W208 HydrophobicContact CG-CZ2 3.84Å; L175-P221 HydrophobicContact CB-CG 3.68Å; L175-P221 HydrophobicContact CD1-CG 4.15Å; L175-Y222 VanDerWaalsContact C-OH 3.3Å; L175-Y222 HydrophobicContact CB-CE2 3.85Å; L175-Y222 HydrophobicContact CD1-CE2 4.18Å; L175-Y222 HydrophobicContact CD2-CE2 4.3Å; L175-Y222 HydrophobicContact CG-CE2 4.35Å; L175-Y222 PolarHBondContact O-OH 2.89Å; L175-I254 WeakPolarHBondContact CD1-O 3.28Å; L175-H277 PolarHBondContact O-CD2 3.2Å; L175-H277 PolarHBondContact O-NE2 3.31Å |
| 176 | K | 79.6 | Confident | 87.9 | Confident | 123 Ų | 123 | 46.1 Ų | 46.1 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | trans | -85.7 | 120.4 | -175.8 | -63.7 | 175.7 | -175.4 | 175.7 | 0 | 111.4 | L173 Q174 | L173-K176 WeakPolarHBondContact O-CE 3.41Å; L173-K176 WeakPolarHBondContact O-CG 3.43Å; Q174-K176 PolarHBondContact O-N 3.19Å | ||
| 177 | G | 77.9 | Confident | 88 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | trans | -78.3 | 160.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q280 | G177-Q280 PolarHBondContact O-NE2 3.2Å; G177-Q280 PolarHBondContact O-OE1 2.96Å | ||
| 178 | T | 86.6 | Confident | 88.1 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 69% | 0.693 | 30% | 0.298 | S | S | * | . | trans | -116.9 | 122 | 160.4 | -62.8 | 0 | 0 | 0 | 0 | 107.8 | S180 | T178-S180 PolarHBondContact O-N 3.4Š| ||
| 179 | P | 90 | Very high | 88.3 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | trans | -60.5 | 130.6 | 179.8 | -25.7 | 36.1 | 0 | 0 | 0 | 112 | Q280 P283 I284 | P179-Q280 HydrophobicContact CG-CB 4.33Å; P179-P283 CarbonylContact C-O 3.36Å; P179-P283 VanDerWaalsContact CA-O 3.29Å; P179-P283 WeakPolarHBondContact CA-O 3.46Å; P179-I284 HydrophobicContact CG-CD1 4.29Å | ||
| 180 | S | 91.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | trans | -138.7 | 121.9 | -170.8 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | T178 K182 P283 I284 | T178-S180 PolarHBondContact O-N 3.4Å; S180-K182 PolarHBondContact O-N 3.35Å; S180-K182 WeakPolarHBondContact OG-CB 3.36Å; S180-K182 PolarHBondContact OG-N 3.29Å; S180-P283 PolarHBondContact N-O 2.8Å; S180-P283 WeakPolarHBondContact O-CG 3.44Å; S180-I284 WeakPolarHBondContact CB-O 3.5Å | ||
| 181 | A | 89.5 | Confident | 88.3 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | trans | -77.7 | 1.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | I236 | A181-I236 HydrophobicContact CB-CD1 4.41Š| ||
| 182 | K | 90.8 | Very high | 88.4 | Confident | 152 Ų | 152 | 55.4 Ų | 55.4 | 66% | 0.661 | 31% | 0.313 | S | S | * | . | trans | -70.2 | 154.1 | 177.1 | -61.9 | -178 | -178.8 | 178.3 | 0 | 111.1 | S180 | S180-K182 PolarHBondContact O-N 3.35Å; S180-K182 WeakPolarHBondContact OG-CB 3.36Å; S180-K182 PolarHBondContact OG-N 3.29Å | ||
| 183 | I | 94.3 | Very high | 88.8 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | trans | -125.4 | 118.7 | 172.5 | -55.5 | 171.3 | 0 | 0 | 0 | 107.1 | A235 T286 A288 V291 P297 V299 | I183-A235 HydrophobicContact CG1-CB 4.04Å; I183-T286 CarbonylContact C-O 3.59Å; I183-T286 WeakPolarHBondContact CA-O 3Å; I183-T286 HydrophobicContact CG1-CG2 4.26Å; I183-T286 HydrophobicContact CG2-CG2 4.28Å; I183-A288 HydrophobicContact CG2-CB 3.72Å; I183-V291 HydrophobicContact CB-CG1 3.95Å; I183-V291 HydrophobicContact CD1-CG1 4.18Å; I183-V291 HydrophobicContact CG2-CG1 3.61Å; I183-P297 HydrophobicContact CB-CG 4.47Å; I183-P297 HydrophobicContact CD1-CB 4.21Å; I183-P297 HydrophobicContact CD1-CG 4.11Å; I183-P297 WeakPolarHBondContact CD1-O 3.33Å; I183-P297 HydrophobicContact CG1-CG 4.16Å; I183-V299 HydrophobicContact CD1-CG2 3.94Å | ||
| 184 | D | 94.6 | Very high | 89.4 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.8 | 178.5 | -72.7 | 4.2 | 0 | 0 | 0 | 109.2 | V186 R285 T286 F287 A288 | D184-V186 PolarHBondContact O-N 3.37Å; D184-R285 IonicContact OD2-CZ 2.77Å; D184-R285 VanDerWaalsContact OD2-CZ 3.26Å; D184-R285 IonicContact OD2-NE 2.63Å; D184-R285 PolarHBondContact OD2-NE 2.76Å; D184-R285 IonicContact OD2-NH2 2.71Å; D184-R285 PolarHBondContact OD2-NH2 2.91Å; D184-T286 PolarHBondContact N-O 3.43Å; D184-F287 HydrophobicContact CB-CD1 3.84Å; D184-F287 HydrophobicContact CB-CE1 4.03Å; D184-F287 WeakPolarHBondContact O-CA 3.44Å; D184-A288 PolarHBondContact O-N 3.1Å; D184-A288 VanDerWaalsContact O-N 3.08Å |
| 185 | V | 95.4 | Very high | 89.9 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 53% | 0.527 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.1 | -177.2 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | A288 V291 | V185-A288 CarbonylContact C-O 3.54Å; V185-A288 WeakPolarHBondContact CA-O 3.43Å; V185-V291 HydrophobicContact CG2-CG1 4.41Å; V185-V291 HydrophobicContact CG2-CG2 3.76Å |
| 186 | V | 95.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 121.3 | 179.3 | -177 | 0 | 0 | 0 | 0 | 109 | D184 I189 Y194 L196 F287 A288 L303 | D184-V186 PolarHBondContact O-N 3.37Å; V186-I189 HydrophobicContact CG1-CD1 4.47Å; V186-I189 HydrophobicContact CG1-CG1 4.29Å; V186-Y194 HydrophobicContact CG1-CE1 3.98Å; V186-L196 HydrophobicContact CG2-CD2 4.25Å; V186-F287 HydrophobicContact CG2-CB 3.88Å; V186-F287 HydrophobicContact CG2-CD1 3.7Å; V186-F287 HydrophobicContact CG2-CG 4.23Å; V186-A288 PolarHBondContact N-O 3.42Å; V186-L303 HydrophobicContact CB-CG 4.45Å; V186-L303 HydrophobicContact CG1-CD2 4.44Å |
| 187 | P | 93.5 | Very high | 91 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 161.7 | 175.3 | 29.7 | -35.4 | 0 | 0 | 0 | 110.9 | I189 | P187-I189 PolarHBondContact O-N 2.03Š|
| 188 | P | 93.2 | Very high | 91.7 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 126.4 | 177 | -26.7 | 35.7 | 0 | 0 | 0 | 112.2 | S304 D306 | P188-S304 CarbonylContact C-O 3.58Å; P188-S304 WeakPolarHBondContact CA-O 3.26Å; P188-D306 HydrophobicContact CB-CB 3.9Å |
| 189 | I | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 127 | -172.2 | -62.4 | 169.4 | 0 | 0 | 0 | 109.5 | V186 P187 E191 F192 Y194 L260 L303 S304 I305 D306 | V186-I189 HydrophobicContact CG1-CD1 4.47Å; V186-I189 HydrophobicContact CG1-CG1 4.29Å; P187-I189 PolarHBondContact O-N 2.03Å; I189-E191 VanDerWaalsContact CG2-O 3.28Å; I189-E191 WeakPolarHBondContact CG2-O 3.49Å; I189-F192 HydrophobicContact CB-CE2 4.21Å; I189-F192 HydrophobicContact CB-CZ 4.11Å; I189-F192 HydrophobicContact CD1-CZ 4.4Å; I189-F192 HydrophobicContact CG2-CD2 4.09Å; I189-F192 HydrophobicContact CG2-CE1 4.27Å; I189-F192 HydrophobicContact CG2-CE2 3.54Å; I189-F192 HydrophobicContact CG2-CZ 3.64Å; I189-Y194 HydrophobicContact CB-CD2 4.49Å; I189-Y194 HydrophobicContact CD1-CD1 3.58Å; I189-Y194 HydrophobicContact CD1-CD2 4.41Å; I189-Y194 HydrophobicContact CD1-CE1 3.9Å; I189-Y194 HydrophobicContact CD1-CG 3.86Å; I189-Y194 HydrophobicContact CG1-CD1 4.1Å; I189-Y194 HydrophobicContact CG1-CD2 4.13Å; I189-Y194 HydrophobicContact CG1-CE1 4.13Å; I189-Y194 HydrophobicContact CG1-CE2 4.18Å; I189-Y194 HydrophobicContact CG1-CG 4.1Å; I189-Y194 HydrophobicContact CG2-CD2 3.66Å; I189-Y194 HydrophobicContact CG2-CE2 4.37Å; I189-Y194 HydrophobicContact CG2-CG 3.8Å; I189-L260 HydrophobicContact CD1-CD1 4.27Å; I189-L303 HydrophobicContact CD1-CD2 4.22Å; I189-S304 PolarHBondContact N-O 3.22Å; I189-I305 CarbonylContact O-C 3.57Å; I189-I305 WeakPolarHBondContact O-CA 3.03Å; I189-I305 WeakPolarHBondContact O-CG2 3.22Å; I189-D306 PolarHBondContact O-N 2.87Å |
| 190 | S | 87.1 | Confident | 91.3 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | trans | -103.1 | -15.6 | 179.8 | 55 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 191 | E | 86.7 | Confident | 90.7 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 11% | 0.107 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -139.5 | 144 | -179.1 | -65 | -165 | 152.2 | 0 | 0 | 111.6 | I189 S312 S313 R344 | I189-E191 VanDerWaalsContact CG2-O 3.28Å; I189-E191 WeakPolarHBondContact CG2-O 3.49Å; E191-S312 WeakPolarHBondContact OE1-CA 3.22Å; E191-S312 WeakPolarHBondContact OE1-CB 3.27Å; E191-S312 PolarHBondContact OE1-N 3.25Å; E191-S312 PolarHBondContact OE1-OG 2.95Å; E191-S313 PolarHBondContact OE1-N 2.88Å; E191-S313 PolarHBondContact OE1-OG 3.3Å; E191-R344 WeakPolarHBondContact OE2-CD 3.5Å; E191-R344 IonicContact OE2-CZ 2.7Å; E191-R344 IonicContact OE2-NE 3.15Å; E191-R344 PolarHBondContact OE2-NE 3.15Å; E191-R344 IonicContact OE2-NH1 2.91Å; E191-R344 PolarHBondContact OE2-NH1 3.26Å |
| 192 | F | 88.3 | Confident | 89.9 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -126.6 | 144.1 | 173.8 | -68.6 | -101.5 | 0 | 0 | 0 | 108.9 | I189 L260 A263 V266 | I189-F192 HydrophobicContact CB-CE2 4.21Å; I189-F192 HydrophobicContact CB-CZ 4.11Å; I189-F192 HydrophobicContact CD1-CZ 4.4Å; I189-F192 HydrophobicContact CG2-CD2 4.09Å; I189-F192 HydrophobicContact CG2-CE1 4.27Å; I189-F192 HydrophobicContact CG2-CE2 3.54Å; I189-F192 HydrophobicContact CG2-CZ 3.64Å; F192-L260 HydrophobicContact CD1-CB 4.34Å; F192-L260 HydrophobicContact CE1-CB 4.21Å; F192-A263 HydrophobicContact CD1-CB 4.36Å; F192-A263 HydrophobicContact CD2-CB 3.91Å; F192-A263 HydrophobicContact CE1-CB 4.16Å; F192-A263 HydrophobicContact CE2-CB 3.69Å; F192-A263 HydrophobicContact CG-CB 4.26Å; F192-A263 HydrophobicContact CZ-CB 3.83Å; F192-V266 HydrophobicContact CE1-CG2 4.25Å; F192-V266 HydrophobicContact CZ-CG2 3.74Å |
| 193 | P | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | S | Bend | cis | -68.5 | 142.2 | 1.7 | -20.3 | 33.4 | 0 | 0 | 0 | 114.4 | Y259 L260 T261 L319 L342 Y343 Y369 | P193-Y259 HydrophobicContact CB-CD1 4.24Å; P193-L260 WeakPolarHBondContact CA-O 3.36Å; P193-T261 HydrophobicContact CB-CG2 4.26Å; P193-T261 HydrophobicContact CG-CG2 4.28Å; P193-L319 HydrophobicContact CB-CD1 4.24Å; P193-L319 HydrophobicContact CG-CD1 4.27Å; P193-L342 HydrophobicContact CB-CD2 4.39Å; P193-L342 HydrophobicContact CG-CD2 4.16Å; P193-Y343 WeakPolarHBondContact CD-O 3.35Å; P193-Y369 HydrophobicContact CG-CE1 4.11Å |
| 194 | Y | 92.6 | Very high | 88.5 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 26% | 0.259 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.2 | -176.7 | -175.9 | -97.7 | 0 | 0 | 0 | 111.7 | V186 I189 L196 Y259 L260 | V186-Y194 HydrophobicContact CG1-CE1 3.98Å; I189-Y194 HydrophobicContact CB-CD2 4.49Å; I189-Y194 HydrophobicContact CD1-CD1 3.58Å; I189-Y194 HydrophobicContact CD1-CD2 4.41Å; I189-Y194 HydrophobicContact CD1-CE1 3.9Å; I189-Y194 HydrophobicContact CD1-CG 3.86Å; I189-Y194 HydrophobicContact CG1-CD1 4.1Å; I189-Y194 HydrophobicContact CG1-CD2 4.13Å; I189-Y194 HydrophobicContact CG1-CE1 4.13Å; I189-Y194 HydrophobicContact CG1-CE2 4.18Å; I189-Y194 HydrophobicContact CG1-CG 4.1Å; I189-Y194 HydrophobicContact CG2-CD2 3.66Å; I189-Y194 HydrophobicContact CG2-CE2 4.37Å; I189-Y194 HydrophobicContact CG2-CG 3.8Å; Y194-L196 HydrophobicContact CD1-CD2 4.37Å; Y194-L196 HydrophobicContact CD1-CG 4.36Å; Y194-L196 HydrophobicContact CE1-CD2 3.75Å; Y194-L196 HydrophobicContact CE1-CG 4.23Å; Y194-Y259 CarbonylContact O-C 3.54Å; Y194-Y259 VanDerWaalsContact O-CA 3.31Å; Y194-Y259 WeakPolarHBondContact O-CA 3.37Å; Y194-L260 HydrophobicContact CD1-CD1 4.42Å; Y194-L260 PolarHBondContact N-O 3.14Å; Y194-L260 PolarHBondContact O-N 2.9Å |
| 195 | E | 93.1 | Very high | 87.8 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 133.8 | -175.3 | -169 | 176.5 | -171.8 | 0 | 0 | 112.8 | R197 S257 V258 Y259 | E195-R197 HydrophobicContact CG-CG 4.27Å; E195-R197 IonicContact OE1-CZ 2.74Å; E195-R197 IonicContact OE1-NE 2.79Å; E195-R197 PolarHBondContact OE1-NE 3.16Å; E195-R197 IonicContact OE1-NH2 3.48Å; E195-R197 PolarHBondContact OE1-NH2 3.07Å; E195-R197 IonicContact OE2-CZ 2.89Å; E195-R197 IonicContact OE2-NE 3.2Å; E195-R197 IonicContact OE2-NH2 3.65Å; E195-R197 PolarHBondContact OE2-NH2 3.41Å; E195-S257 PolarHBondContact OE1-OG 3.47Å; E195-V258 WeakPolarHBondContact CA-O 3.2Å; E195-Y259 HydrophobicContact CB-CD1 4.01Å; E195-Y259 HydrophobicContact CB-CE1 3.63Å; E195-Y259 HydrophobicContact CG-CD1 4.44Å; E195-Y259 HydrophobicContact CG-CE1 3.87Å; E195-Y259 HydrophobicContact CG-CE2 4.07Å; E195-Y259 PolarHBondContact OE1-OH 3.39Å; E195-Y259 PolarHBondContact OE2-OH 2.96Å |
| 196 | L | 94.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141 | 163.2 | -65.5 | 173.7 | 0 | 0 | 0 | 109.2 | V186 Y194 W224 S257 V258 L260 I273 F287 L303 | V186-L196 HydrophobicContact CG2-CD2 4.25Å; Y194-L196 HydrophobicContact CD1-CD2 4.37Å; Y194-L196 HydrophobicContact CD1-CG 4.36Å; Y194-L196 HydrophobicContact CE1-CD2 3.75Å; Y194-L196 HydrophobicContact CE1-CG 4.23Å; L196-W224 HydrophobicContact CB-CH2 3.73Å; L196-W224 HydrophobicContact CB-CZ3 4.1Å; L196-S257 CarbonylContact O-C 3.5Å; L196-S257 WeakPolarHBondContact O-CA 3.3Å; L196-V258 HydrophobicContact CB-CG1 3.82Å; L196-V258 PolarHBondContact N-O 3.09Å; L196-V258 PolarHBondContact O-N 3.24Å; L196-L260 HydrophobicContact CD1-CD1 4.27Å; L196-L260 HydrophobicContact CD1-CD2 4.38Å; L196-L260 HydrophobicContact CD1-CG 4.43Å; L196-I273 HydrophobicContact CD1-CB 4.36Å; L196-I273 HydrophobicContact CD1-CD1 3.97Å; L196-I273 HydrophobicContact CD1-CG2 4.11Å; L196-F287 HydrophobicContact CB-CE2 4.26Å; L196-F287 HydrophobicContact CB-CZ 4.33Å; L196-F287 HydrophobicContact CD1-CD2 4.17Å; L196-F287 HydrophobicContact CD1-CG 4.29Å; L196-F287 HydrophobicContact CD2-CD1 3.76Å; L196-F287 HydrophobicContact CD2-CD2 4.32Å; L196-F287 HydrophobicContact CD2-CE1 3.89Å; L196-F287 HydrophobicContact CD2-CE2 4.44Å; L196-F287 HydrophobicContact CD2-CG 3.96Å; L196-F287 HydrophobicContact CD2-CZ 4.2Å; L196-L303 HydrophobicContact CD1-CD2 4.3Å |
| 197 | R | 92.4 | Very high | 86.3 | Confident | 67 Ų | 67 | 51 Ų | 51 | 25% | 0.253 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.3 | -178.5 | -64.3 | -167.1 | -179.9 | 164.9 | 9.2 | 112.2 | E195 V199 R285 | E195-R197 HydrophobicContact CG-CG 4.27Å; E195-R197 IonicContact OE1-CZ 2.74Å; E195-R197 IonicContact OE1-NE 2.79Å; E195-R197 PolarHBondContact OE1-NE 3.16Å; E195-R197 IonicContact OE1-NH2 3.48Å; E195-R197 PolarHBondContact OE1-NH2 3.07Å; E195-R197 IonicContact OE2-CZ 2.89Å; E195-R197 IonicContact OE2-NE 3.2Å; E195-R197 IonicContact OE2-NH2 3.65Å; E195-R197 PolarHBondContact OE2-NH2 3.41Å; R197-V199 VanDerWaalsContact C-N 3.34Å; R197-R285 VanDerWaalsContact O-CD 3.25Å; R197-R285 WeakPolarHBondContact O-CD 3.42Å; R197-R285 PolarHBondContact O-NH1 3.49Å |
| 198 | C | 91.6 | Very high | 85.9 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -66.9 | -37.8 | 176.7 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | Y222 W224 G256 C275 | C198-Y222 HydrophobicContact CB-CD1 4.11Å; C198-Y222 HydrophobicContact CB-CE1 4.34Å; C198-Y222 HydrophobicContact CB-CG 4.38Å; C198-Y222 WeakPolarHBondContact SG-CD1 3.33Å; C198-W224 HydrophobicContact CB-CH2 4.47Å; C198-W224 HydrophobicContact CB-CZ2 3.9Å; C198-G256 VanDerWaalsContact CB-O 3.26Å; C198-G256 WeakPolarHBondContact CB-O 3.3Å; C198-G256 PolarHBondContact N-O 3.32Å; C198-C275 HydrophobicContact CB-CB 3.75Å; C198-C275 WeakPolarHBondContact CB-SG 3.32Å; C198-C275 WeakPolarHBondContact SG-CB 3.46Å; C198-C275 CovalentContact SG-SG 2.03Å; C198-C275 PolarHBondContact SG-SG 2.62Å |
| 199 | V | 87 | Confident | 85.6 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 22% | 0.218 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -136.1 | 144.8 | 177.6 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | R197 Y222 I284 | R197-V199 VanDerWaalsContact C-N 3.34Å; V199-Y222 HydrophobicContact CG2-CE1 4.11Å; V199-Y222 WeakPolarHBondContact CG2-OH 3.49Å; V199-I284 HydrophobicContact CG2-CG2 4.36Å |
| 200 | D | 82.6 | Confident | 85 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 60% | 0.599 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -77 | -33.1 | -172.4 | -59.4 | -54.9 | 0 | 0 | 0 | 113.5 | I202 R285 | D200-I202 PolarHBondContact O-N 3.4Å; D200-R285 IonicContact OD1-CZ 2.65Å; D200-R285 IonicContact OD1-NH1 3.34Å; D200-R285 PolarHBondContact OD1-NH1 2.79Å; D200-R285 IonicContact OD1-NH2 2.67Å; D200-R285 PolarHBondContact OD1-NH2 3.48Å; D200-R285 IonicContact OD2-NH1 3.69Å; D200-R285 IonicContact OD2-NH2 3.41Å |
| 201 | D | 77.8 | Confident | 84.8 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | trans | -87.2 | 105.7 | 173.7 | -174.9 | 10.1 | 0 | 0 | 0 | 111.5 | S203 | D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 2.66Å; D201-S203 PolarHBondContact OD1-OG 3.19Å | ||
| 202 | I | 72.2 | Confident | 84.7 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | trans | -102.1 | 1.3 | 172.2 | 59.9 | 170.4 | 0 | 0 | 0 | 112.8 | D200 I204 V205 N255 | D200-I202 PolarHBondContact O-N 3.4Å; I202-I204 PolarHBondContact O-N 3.31Å; I202-V205 PolarHBondContact O-N 3.48Å; I202-N255 HydrophobicContact CB-CB 4.21Å; I202-N255 HydrophobicContact CG2-CB 4.19Å | ||
| 203 | S | 76 | Confident | 84.1 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.8 | -18.9 | -171.7 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | D201 V205 S206 | D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 2.66Å; D201-S203 PolarHBondContact OD1-OG 3.19Å; S203-V205 VanDerWaalsContact C-N 3.29Å; S203-V205 PolarHBondContact O-N 2.86Å; S203-S206 PolarHBondContact O-N 3.33Å; S203-S206 PolarHBondContact O-OG 2.89Å |
| 204 | I | 79.7 | Confident | 83.1 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -65.9 | -31.6 | -178.1 | -162.6 | 150.4 | 0 | 0 | 0 | 113 | Q174 L175 I202 S206 R207 W208 | Q174-I204 HydrophobicContact CB-CD1 3.71Å; Q174-I204 HydrophobicContact CB-CG1 4.35Å; Q174-I204 HydrophobicContact CG-CD1 4.33Å; L175-I204 HydrophobicContact CD2-CG2 3.76Å; I202-I204 PolarHBondContact O-N 3.31Å; I204-S206 VanDerWaalsContact C-N 3.28Å; I204-S206 PolarHBondContact O-N 2.96Å; I204-R207 PolarHBondContact O-N 3.28Å; I204-W208 VanDerWaalsContact O-CD1 3.3Å |
| 205 | V | 79.6 | Confident | 82.1 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -72 | -20.7 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | L175 I202 S203 R207 W208 I254 N255 | L175-V205 HydrophobicContact CD2-CG2 3.89Å; I202-V205 PolarHBondContact O-N 3.48Å; S203-V205 VanDerWaalsContact C-N 3.29Å; S203-V205 PolarHBondContact O-N 2.86Å; V205-R207 PolarHBondContact O-N 2.85Å; V205-W208 HydrophobicContact CB-CD2 4.39Å; V205-W208 HydrophobicContact CG1-CD2 4.16Å; V205-W208 HydrophobicContact CG1-CE3 3.89Å; V205-W208 HydrophobicContact CG1-CZ3 4.24Å; V205-W208 HydrophobicContact CG2-CD2 4.35Å; V205-W208 HydrophobicContact CG2-CE3 4.46Å; V205-W208 HydrophobicContact CG2-CH2 4.17Å; V205-W208 HydrophobicContact CG2-CZ2 3.99Å; V205-W208 HydrophobicContact CG2-CZ3 4.37Å; V205-W208 PolarHBondContact O-N 3.07Å; V205-I254 HydrophobicContact CG1-CG2 4.45Å; V205-N255 HydrophobicContact CB-CB 4.32Å; V205-N255 HydrophobicContact CG2-CB 3.78Å |
| 206 | S | 77.5 | Confident | 80.7 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -70.5 | -13.9 | 175.9 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | S203 I204 | S203-S206 PolarHBondContact O-N 3.33Å; S203-S206 PolarHBondContact O-OG 2.89Å; I204-S206 VanDerWaalsContact C-N 3.28Å; I204-S206 PolarHBondContact O-N 2.96Å |
| 207 | R | 83.1 | Confident | 79.2 | Confident | 192 Ų | 192 | 43.9 Ų | 43.9 | 73% | 0.725 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -105.3 | 5.6 | -177.6 | -47.5 | -176.1 | -156.6 | 165.8 | 9 | 113.2 | I204 V205 | I204-R207 PolarHBondContact O-N 3.28Å; V205-R207 PolarHBondContact O-N 2.85Å |
| 208 | W | 84.7 | Confident | 78 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -74.1 | 155.5 | 179 | -72.5 | 3.9 | 0 | 0 | 0 | 111.2 | Y171 L175 I204 V205 M212 I254 I931 | Y171-W208 AromaticContact CD1-CD1 3.67Å; Y171-W208 HydrophobicContact CD1-CG 4.14Å; Y171-W208 AromaticContact CD1-NE1 3.92Å; Y171-W208 HydrophobicContact CG-CG 4.46Å; Y171-W208 VanDerWaalsContact O-CZ2 3.25Å; Y171-W208 WeakPolarHBondContact O-CZ2 3.48Å; L175-W208 HydrophobicContact CD1-CH2 3.51Å; L175-W208 HydrophobicContact CD1-CZ2 3.81Å; L175-W208 HydrophobicContact CD2-CZ2 4.38Å; L175-W208 HydrophobicContact CG-CH2 4.09Å; L175-W208 HydrophobicContact CG-CZ2 3.84Å; I204-W208 VanDerWaalsContact O-CD1 3.3Å; V205-W208 HydrophobicContact CB-CD2 4.39Å; V205-W208 HydrophobicContact CG1-CD2 4.16Å; V205-W208 HydrophobicContact CG1-CE3 3.89Å; V205-W208 HydrophobicContact CG1-CZ3 4.24Å; V205-W208 HydrophobicContact CG2-CD2 4.35Å; V205-W208 HydrophobicContact CG2-CE3 4.46Å; V205-W208 HydrophobicContact CG2-CH2 4.17Å; V205-W208 HydrophobicContact CG2-CZ2 3.99Å; V205-W208 HydrophobicContact CG2-CZ3 4.37Å; V205-W208 PolarHBondContact O-N 3.07Å; W208-M212 HydrophobicContact CB-CB 4.31Å; W208-M212 HydrophobicContact CB-CG 4.1Å; W208-M212 HydrophobicContact CD2-CE 4.19Å; W208-M212 HydrophobicContact CD2-CG 4.43Å; W208-M212 HydrophobicContact CE3-CB 3.91Å; W208-M212 HydrophobicContact CE3-CE 3.54Å; W208-M212 HydrophobicContact CE3-CG 4.06Å; W208-M212 HydrophobicContact CH2-CE 3.93Å; W208-M212 HydrophobicContact CZ3-CE 3.4Å; W208-I254 HydrophobicContact CH2-CD1 4.49Å; W208-I254 HydrophobicContact CH2-CG1 4.35Å; W208-I254 HydrophobicContact CZ3-CD1 4.05Å; W208-I254 HydrophobicContact CZ3-CG1 4.19Å; W208-I254 HydrophobicContact CZ3-CG2 4.23Å; W208-I931 HydrophobicContact CB-CD1 3.89Å; W208-I931 WeakPolarHBondContact O-CD1 3.44Å |
| 209 | P | 86.1 | Confident | 77.2 | Confident | 29 Ų | 29 | 47 Ų | 47 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | trans | -60.7 | 144.7 | 170.1 | -21.7 | 33.2 | 0 | 0 | 0 | 110.9 | Y171 W211 M212 | Y171-P209 HydrophobicContact CE1-CG 4.18Å; Y171-P209 HydrophobicContact CE2-CG 3.68Å; Y171-P209 VanDerWaalsContact CZ-CG 3.45Å; Y171-P209 VanDerWaalsContact OH-CG 3.24Å; Y171-P209 WeakPolarHBondContact OH-CG 3.25Å; P209-W211 HydrophobicContact CB-CD2 4.17Å; P209-W211 HydrophobicContact CB-CG 4.21Å; P209-W211 HydrophobicContact CB-CZ2 4.12Å; P209-W211 VanDerWaalsContact CB-NE1 3.35Å; P209-W211 HydrophobicContact CG-CZ2 3.95Å; P209-W211 PolarHBondContact O-N 3.32Å; P209-W211 VanDerWaalsContact O-N 3.14Å; P209-M212 WeakPolarHBondContact O-CB 3.28Å; P209-M212 PolarHBondContact O-N 2.84Å | ||
| 210 | Y | 80.4 | Confident | 76.8 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 40% | 0.404 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -49.8 | -44.4 | 180 | 72.8 | -82.2 | 0 | 0 | 0 | 112.2 | M212 H213 V327 | Y210-M212 PolarHBondContact O-N 3.01Å; Y210-H213 PolarHBondContact O-N 3.41Å; Y210-H213 PolarHBondContact O-ND1 3.46Å; Y210-V327 HydrophobicContact CE2-CB 4.34Å; Y210-V327 HydrophobicContact CE2-CG1 4.5Å |
| 211 | W | 83.5 | Confident | 76.8 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -59.5 | -15.5 | -176.9 | 59.9 | -109.5 | 0 | 0 | 0 | 114.6 | Y57 R166 A168 Y171 P209 H213 Q214 L215 | Y57-W211 HydrophobicContact CD1-CE3 4.44Å; Y57-W211 HydrophobicContact CE1-CE3 4.33Å; R166-W211 HydrophobicContact CB-CD2 4.16Å; R166-W211 HydrophobicContact CB-CE3 4.07Å; R166-W211 HydrophobicContact CB-CH2 3.68Å; R166-W211 HydrophobicContact CB-CZ2 3.71Å; R166-W211 HydrophobicContact CB-CZ3 3.83Å; R166-W211 HydrophobicContact CG-CD2 3.95Å; R166-W211 HydrophobicContact CG-CE3 4.32Å; R166-W211 HydrophobicContact CG-CG 4.41Å; R166-W211 HydrophobicContact CG-CH2 4.37Å; R166-W211 HydrophobicContact CG-CZ2 3.95Å; A168-W211 HydrophobicContact CB-CZ3 4.15Å; Y171-W211 HydrophobicContact CD2-CH2 4.1Å; Y171-W211 AromaticContact CE2-CH2 4Å; Y171-W211 HydrophobicContact CE2-CH2 4Å; Y171-W211 HydrophobicContact CE2-CZ2 4Å; P209-W211 HydrophobicContact CB-CD2 4.17Å; P209-W211 HydrophobicContact CB-CG 4.21Å; P209-W211 HydrophobicContact CB-CZ2 4.12Å; P209-W211 VanDerWaalsContact CB-NE1 3.35Å; P209-W211 HydrophobicContact CG-CZ2 3.95Å; P209-W211 PolarHBondContact O-N 3.32Å; P209-W211 VanDerWaalsContact O-N 3.14Å; W211-H213 PolarHBondContact O-N 2.88Å; W211-Q214 VanDerWaalsContact O-CB 3.29Å; W211-Q214 WeakPolarHBondContact O-CB 3.35Å; W211-Q214 WeakPolarHBondContact O-CG 3.38Å; W211-Q214 PolarHBondContact O-N 3.06Å; W211-L215 HydrophobicContact CZ3-CD1 4.27Å |
| 212 | M | 85 | Confident | 77.3 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -59.6 | -23.1 | 171.5 | -74.5 | -67.7 | -64.9 | 0 | 0 | 112.8 | A168 Y171 I172 W208 P209 Y210 Q214 L215 | A168-M212 HydrophobicContact CB-CE 4.32Å; A168-M212 HydrophobicContact CB-SD 3.87Å; Y171-M212 HydrophobicContact CD2-CG 4.3Å; Y171-M212 HydrophobicContact CD2-SD 3.88Å; Y171-M212 HydrophobicContact CG-CE 4.49Å; Y171-M212 HydrophobicContact CG-SD 4.29Å; I172-M212 HydrophobicContact CG1-CE 4.24Å; W208-M212 HydrophobicContact CB-CB 4.31Å; W208-M212 HydrophobicContact CB-CG 4.1Å; W208-M212 HydrophobicContact CD2-CE 4.19Å; W208-M212 HydrophobicContact CD2-CG 4.43Å; W208-M212 HydrophobicContact CE3-CB 3.91Å; W208-M212 HydrophobicContact CE3-CE 3.54Å; W208-M212 HydrophobicContact CE3-CG 4.06Å; W208-M212 HydrophobicContact CH2-CE 3.93Å; W208-M212 HydrophobicContact CZ3-CE 3.4Å; P209-M212 WeakPolarHBondContact O-CB 3.28Å; P209-M212 PolarHBondContact O-N 2.84Å; Y210-M212 PolarHBondContact O-N 3.01Å; M212-Q214 PolarHBondContact O-N 2.94Å; M212-L215 HydrophobicContact CE-CD1 4.13Å; M212-L215 PolarHBondContact O-N 2.96Å; M212-L215 HydrophobicContact SD-CD1 3.77Å |
| 213 | H | 74.7 | Confident | 78.1 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -66 | -20.9 | 173.2 | 74.9 | -119.7 | 0 | 0 | 0 | 113.3 | Y210 W211 L215 Y326 V327 F337 | Y210-H213 PolarHBondContact O-N 3.41Å; Y210-H213 PolarHBondContact O-ND1 3.46Å; W211-H213 PolarHBondContact O-N 2.88Å; H213-L215 PolarHBondContact O-N 3.39Å; H213-Y326 HydrophobicContact CB-CD1 4.3Å; H213-Y326 HydrophobicContact CB-CE1 4.32Å; H213-Y326 AromaticContact CD2-CD1 3.68Å; H213-Y326 AromaticContact CG-CD1 3.78Å; H213-Y326 AromaticContact NE2-CD1 3.97Å; H213-V327 PolarHBondContact CE1-O 3.26Å; H213-V327 PolarHBondContact NE2-O 3.21Å; H213-F337 VanDerWaalsContact O-CE2 3.3Å; H213-F337 WeakPolarHBondContact O-CE2 3.06Å |
| 214 | Q | 70.3 | Confident | 78.9 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -73.1 | -12.1 | -179.7 | -58.4 | 176.9 | -18.4 | 0 | 0 | 112 | Y57 W211 M212 V327 | Y57-Q214 PolarHBondContact OH-OE1 3.39Å; W211-Q214 VanDerWaalsContact O-CB 3.29Å; W211-Q214 WeakPolarHBondContact O-CB 3.35Å; W211-Q214 WeakPolarHBondContact O-CG 3.38Å; W211-Q214 PolarHBondContact O-N 3.06Å; M212-Q214 PolarHBondContact O-N 2.94Å; Q214-V327 PolarHBondContact NE2-O 3.41Å |
| 215 | L | 71.7 | Confident | 79.6 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -92.7 | 115.8 | -179.8 | -60.9 | 173.8 | 0 | 0 | 0 | 109.7 | F36 Y57 A168 W211 M212 H213 Y219 | F36-L215 HydrophobicContact CE1-CD2 4.13Å; Y57-L215 HydrophobicContact CD1-CD2 4.17Å; A168-L215 HydrophobicContact CB-CD1 3.27Å; W211-L215 HydrophobicContact CZ3-CD1 4.27Å; M212-L215 HydrophobicContact CE-CD1 4.13Å; M212-L215 PolarHBondContact O-N 2.96Å; M212-L215 HydrophobicContact SD-CD1 3.77Å; H213-L215 PolarHBondContact O-N 3.39Å; L215-Y219 HydrophobicContact CB-CD2 3.78Å; L215-Y219 HydrophobicContact CB-CE2 4.49Å; L215-Y219 HydrophobicContact CB-CG 4.41Å; L215-Y219 HydrophobicContact CD2-CD2 3.99Å; L215-Y219 HydrophobicContact CD2-CE2 4Å; L215-Y219 HydrophobicContact CG-CD2 4.45Å |
| 216 | D | 65.6 | Low | 80.3 | Confident | 16 Ų | 16 | 37.6 Ų | 37.6 | 9% | 0.086 | 17% | 0.172 | C | C | . | . | trans | -59.2 | 155.3 | 175.5 | 171.6 | 50.4 | 0 | 0 | 0 | 112.7 | R218 Y219 | D216-R218 PolarHBondContact O-N 2.94Å; D216-R218 IonicContact OD2-CZ 3.48Å; D216-R218 VanDerWaalsContact OD2-CZ 3.23Å; D216-R218 PolarHBondContact OD2-N 3.33Å; D216-R218 IonicContact OD2-NE 3.23Å; D216-R218 PolarHBondContact OD2-NE 3.07Å; D216-R218 IonicContact OD2-NH2 3.24Å; D216-R218 PolarHBondContact OD2-NH2 2.8Å; D216-Y219 WeakPolarHBondContact O-CD2 3.22Å; D216-Y219 PolarHBondContact O-N 2.94Å | ||
| 217 | G | 62.7 | Low | 81.1 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 33% | 0.33 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -56.6 | -18.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y219 G220 | G217-Y219 PolarHBondContact O-N 2.75Å; G217-G220 PolarHBondContact O-N 2.72Å |
| 218 | R | 66.7 | Low | 81.7 | Confident | 93 Ų | 93 | 29.7 Ų | 29.7 | 35% | 0.351 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -58.9 | -28.6 | 169.7 | -76.9 | 172.9 | -67.2 | 138.7 | 10.9 | 113.4 | D216 G220 R223 Q335 | D216-R218 PolarHBondContact O-N 2.94Å; D216-R218 IonicContact OD2-CZ 3.48Å; D216-R218 VanDerWaalsContact OD2-CZ 3.23Å; D216-R218 PolarHBondContact OD2-N 3.33Å; D216-R218 IonicContact OD2-NE 3.23Å; D216-R218 PolarHBondContact OD2-NE 3.07Å; D216-R218 IonicContact OD2-NH2 3.24Å; D216-R218 PolarHBondContact OD2-NH2 2.8Å; R218-G220 VanDerWaalsContact C-N 3.34Å; R218-R223 PolarHBondContact O-NH2 3.27Å; R218-Q335 VanDerWaalsContact CZ-CD 3.5Å; R218-Q335 VanDerWaalsContact NH2-CB 3.29Å; R218-Q335 PolarHBondContact NH2-O 3.11Å |
| 219 | Y | 74.5 | Confident | 82 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 17% | 0.173 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -77.2 | -19.3 | 173.9 | -61.5 | -66.3 | 0 | 0 | 0 | 113.2 | A59 Q60 I172 L215 D216 G217 | A59-Y219 HydrophobicContact CB-CD1 4.11Å; A59-Y219 HydrophobicContact CB-CE1 3.66Å; A59-Y219 VanDerWaalsContact O-CD1 3.3Å; A59-Y219 WeakPolarHBondContact O-CD1 3.26Å; Q60-Y219 HydrophobicContact CB-CD1 4.09Å; Q60-Y219 HydrophobicContact CB-CE1 4.25Å; I172-Y219 WeakPolarHBondContact CD1-O 3.38Å; L215-Y219 HydrophobicContact CB-CD2 3.78Å; L215-Y219 HydrophobicContact CB-CE2 4.49Å; L215-Y219 HydrophobicContact CB-CG 4.41Å; L215-Y219 HydrophobicContact CD2-CD2 3.99Å; L215-Y219 HydrophobicContact CD2-CE2 4Å; L215-Y219 HydrophobicContact CG-CD2 4.45Å; D216-Y219 WeakPolarHBondContact O-CD2 3.22Å; D216-Y219 PolarHBondContact O-N 2.94Å; G217-Y219 PolarHBondContact O-N 2.75Å |
| 220 | G | 78 | Confident | 82.1 | Confident | 4 Ų | 4 | 34 Ų | 34 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -61.1 | 147.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G217 R218 R223 | G217-G220 PolarHBondContact O-N 2.72Å; R218-G220 VanDerWaalsContact C-N 3.34Å; G220-R223 PolarHBondContact O-NH1 2.73Å |
| 221 | P | 82.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -83.7 | -16.2 | -175.5 | 33.4 | -33.1 | 0 | 0 | 0 | 112.8 | I172 L175 H277 V278 | I172-P221 HydrophobicContact CG2-CB 4.31Å; I172-P221 HydrophobicContact CG2-CG 4.35Å; L175-P221 HydrophobicContact CB-CG 3.68Å; L175-P221 HydrophobicContact CD1-CG 4.15Å; P221-H277 CarbonylContact O-C 3.16Å; P221-H277 VanDerWaalsContact O-CA 3.31Å; P221-H277 WeakPolarHBondContact O-CA 3.35Å; P221-V278 WeakPolarHBondContact O-CG2 3.43Å; P221-V278 PolarHBondContact O-N 3.03Å |
| 222 | Y | 88 | Confident | 82.8 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 150.4 | -178.7 | -55.6 | -62.5 | 0 | 0 | 0 | 112.4 | L175 C198 V199 K276 H277 | L175-Y222 VanDerWaalsContact C-OH 3.3Å; L175-Y222 HydrophobicContact CB-CE2 3.85Å; L175-Y222 HydrophobicContact CD1-CE2 4.18Å; L175-Y222 HydrophobicContact CD2-CE2 4.3Å; L175-Y222 HydrophobicContact CG-CE2 4.35Å; L175-Y222 PolarHBondContact O-OH 2.89Å; C198-Y222 HydrophobicContact CB-CD1 4.11Å; C198-Y222 HydrophobicContact CB-CE1 4.34Å; C198-Y222 HydrophobicContact CB-CG 4.38Å; C198-Y222 WeakPolarHBondContact SG-CD1 3.33Å; V199-Y222 HydrophobicContact CG2-CE1 4.11Å; V199-Y222 WeakPolarHBondContact CG2-OH 3.49Å; Y222-K276 CarbonylContact C-O 3.58Å; Y222-K276 WeakPolarHBondContact CA-O 3.45Å; Y222-H277 HydrophobicContact CD1-CB 4.41Å |
| 223 | R | 89.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 25% | 0.253 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 137.6 | 169 | -62.7 | -68.4 | -179.4 | -90.2 | -4.7 | 109.4 | R218 G220 K276 V278 | R218-R223 PolarHBondContact O-NH2 3.27Å; G220-R223 PolarHBondContact O-NH1 2.73Å; R223-K276 HydrophobicContact CB-CD 4.4Å; R223-K276 HydrophobicContact CB-CG 3.86Å; R223-K276 PolarHBondContact N-O 2.87Å; R223-K276 PolarHBondContact O-N 3.39Å; R223-V278 HydrophobicContact CG-CG2 4.06Å |
| 224 | W | 92.3 | Very high | 84.1 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124 | 177.1 | -71.2 | 96.4 | 0 | 0 | 0 | 111.6 | L196 C198 F245 I250 E252 G256 V258 I273 C275 F287 | L196-W224 HydrophobicContact CB-CH2 3.73Å; L196-W224 HydrophobicContact CB-CZ3 4.1Å; C198-W224 HydrophobicContact CB-CH2 4.47Å; C198-W224 HydrophobicContact CB-CZ2 3.9Å; W224-F245 HydrophobicContact CB-CE2 4.2Å; W224-F245 WeakPolarHBondContact O-CD2 3.42Å; W224-I250 HydrophobicContact CB-CD1 4.28Å; W224-E252 HydrophobicContact CB-CG 4.26Å; W224-E252 HydrophobicContact CG-CG 4.39Å; W224-E252 PolarHBondContact N-OE2 3.05Å; W224-G256 VanDerWaalsContact CZ2-O 3.28Å; W224-G256 WeakPolarHBondContact CZ2-O 3.47Å; W224-V258 HydrophobicContact CB-CG2 4.46Å; W224-V258 HydrophobicContact CD2-CB 3.8Å; W224-V258 HydrophobicContact CD2-CG1 3.41Å; W224-V258 VanDerWaalsContact CD2-CG1 3.41Å; W224-V258 VanDerWaalsContact CE2-CG1 3.42Å; W224-V258 HydrophobicContact CE3-CB 4.49Å; W224-V258 HydrophobicContact CE3-CG1 3.62Å; W224-V258 HydrophobicContact CG-CB 3.81Å; W224-V258 HydrophobicContact CG-CG1 3.91Å; W224-V258 HydrophobicContact CG-CG2 4.22Å; W224-V258 HydrophobicContact CH2-CG1 3.78Å; W224-V258 HydrophobicContact CZ2-CB 4.15Å; W224-V258 HydrophobicContact CZ2-CG1 3.6Å; W224-V258 HydrophobicContact CZ3-CG1 3.81Å; W224-I273 HydrophobicContact CE3-CG2 3.71Å; W224-I273 HydrophobicContact CZ3-CG2 3.86Å; W224-C275 HydrophobicContact CD2-CB 4.11Å; W224-C275 HydrophobicContact CE3-CB 3.89Å; W224-C275 HydrophobicContact CH2-CB 3.98Å; W224-C275 HydrophobicContact CZ2-CB 4.14Å; W224-C275 HydrophobicContact CZ3-CB 3.83Å; W224-F287 HydrophobicContact CH2-CD2 4.45Å; W224-F287 AromaticContact CH2-CE2 3.66Å; W224-F287 HydrophobicContact CH2-CE2 3.66Å; W224-F287 HydrophobicContact CH2-CZ 4.39Å; W224-F287 HydrophobicContact CZ3-CD2 4.02Å; W224-F287 AromaticContact CZ3-CE2 3.66Å; W224-F287 HydrophobicContact CZ3-CE2 3.66Å |
| 225 | E | 94.6 | Very high | 85.2 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 173.6 | 179.8 | -70.5 | 169.3 | 162.3 | 0 | 0 | 109.6 | P242 F245 V274 K276 | E225-P242 HydrophobicContact CB-CB 3.65Å; E225-P242 VanDerWaalsContact CD-CB 3.46Å; E225-P242 HydrophobicContact CG-CB 4.03Å; E225-P242 WeakPolarHBondContact OE2-CB 3.38Å; E225-P242 VanDerWaalsContact OE2-CG 3.28Å; E225-P242 WeakPolarHBondContact OE2-CG 3.5Å; E225-F245 VanDerWaalsContact C-CE2 3.49Å; E225-V274 HydrophobicContact CB-CG1 4.22Å; E225-V274 PolarHBondContact N-O 3.43Å; E225-V274 PolarHBondContact O-N 2.76Å; E225-V274 VanDerWaalsContact O-O 3.13Å; E225-K276 WeakPolarHBondContact OE1-CE 3.12Å; E225-K276 IonicContact OE1-NZ 3.32Å; E225-K276 PolarHBondContact OE1-NZ 2.89Å; E225-K276 WeakPolarHBondContact OE2-CD 3.16Å; E225-K276 WeakPolarHBondContact OE2-CE 3.36Å; E225-K276 IonicContact OE2-NZ 2.84Å; E225-K276 PolarHBondContact OE2-NZ 2.94Å |
| 226 | Y | 94.8 | Very high | 86.2 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 165.7 | 176.4 | 74.2 | -91.3 | 0 | 0 | 0 | 113.3 | L228 P242 I243 Q244 F245 I271 A272 | Y226-L228 HydrophobicContact CE2-CD2 4.38Å; Y226-P242 CarbonylContact O-C 3.54Å; Y226-P242 WeakPolarHBondContact O-CA 3.46Å; Y226-I243 HydrophobicContact CD1-CB 4.26Å; Y226-I243 VanDerWaalsContact CD1-O 3.28Å; Y226-I243 WeakPolarHBondContact CD1-O 3.42Å; Y226-I243 HydrophobicContact CD2-CB 4.16Å; Y226-I243 HydrophobicContact CD2-CD1 4.41Å; Y226-I243 HydrophobicContact CE1-CB 3.95Å; Y226-I243 HydrophobicContact CE1-CG2 3.8Å; Y226-I243 HydrophobicContact CE2-CB 3.84Å; Y226-I243 HydrophobicContact CE2-CD1 3.88Å; Y226-I243 HydrophobicContact CE2-CG1 4.41Å; Y226-I243 HydrophobicContact CE2-CG2 4.02Å; Y226-I243 HydrophobicContact CG-CB 4.37Å; Y226-I243 VanDerWaalsContact CZ-CG2 3.47Å; Y226-I243 PolarHBondContact N-O 2.95Å; Y226-I243 PolarHBondContact O-N 3.32Å; Y226-I243 WeakPolarHBondContact OH-CG2 3.18Å; Y226-Q244 WeakPolarHBondContact CE1-O 3.39Å; Y226-F245 AromaticContact CD1-CD1 3.59Å; Y226-F245 HydrophobicContact CD1-CD1 3.59Å; Y226-F245 HydrophobicContact CD1-CD2 4.36Å; Y226-F245 AromaticContact CD1-CE1 3.54Å; Y226-F245 HydrophobicContact CD1-CE1 3.54Å; Y226-F245 HydrophobicContact CD1-CE2 4.35Å; Y226-F245 HydrophobicContact CD1-CG 4.03Å; Y226-F245 AromaticContact CD1-CZ 3.96Å; Y226-F245 HydrophobicContact CD1-CZ 3.96Å; Y226-F245 HydrophobicContact CE1-CD1 4.06Å; Y226-F245 HydrophobicContact CE1-CE1 4.38Å; Y226-F245 HydrophobicContact CE1-CG 4.47Å; Y226-F245 HydrophobicContact CG-CE1 4.05Å; Y226-F245 HydrophobicContact CG-CZ 4.31Å; Y226-I271 HydrophobicContact CD2-CB 4.42Å; Y226-I271 HydrophobicContact CD2-CD1 3.86Å; Y226-I271 HydrophobicContact CD2-CG1 4.03Å; Y226-I271 HydrophobicContact CD2-CG2 3.71Å; Y226-I271 HydrophobicContact CE2-CD1 3.7Å; Y226-I271 HydrophobicContact CE2-CG1 4.14Å; Y226-I271 HydrophobicContact CG-CD1 4.48Å; Y226-I271 HydrophobicContact CG-CG2 3.87Å; Y226-A272 CarbonylContact C-O 3.59Å; Y226-A272 VanDerWaalsContact CA-O 3.29Å; Y226-A272 WeakPolarHBondContact CA-O 3.46Å; Y226-A272 WeakPolarHBondContact CB-O 3.11Å |
| 227 | C | 94.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.034 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.7 | 171 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | C238 A272 | C227-C238 HydrophobicContact CB-CB 3.93Å; C227-C238 WeakPolarHBondContact CB-SG 3.32Å; C227-C238 VanDerWaalsContact SG-CA 3.54Å; C227-C238 WeakPolarHBondContact SG-CB 3.09Å; C227-C238 CovalentContact SG-SG 2.03Å; C227-C238 PolarHBondContact SG-SG 2.67Å; C227-A272 PolarHBondContact N-O 3.06Å; C227-A272 PolarHBondContact O-N 3.24Å |
| 228 | L | 94.5 | Very high | 89 | Confident | 77 Ų | 77 | 43.5 Ų | 43.5 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.3 | 174.3 | -61.6 | 176.6 | 0 | 0 | 0 | 110.8 | Y226 T230 I243 S270 | Y226-L228 HydrophobicContact CE2-CD2 4.38Å; L228-T230 WeakPolarHBondContact CB-OG1 3.41Å; L228-T230 PolarHBondContact O-N 3.21Å; L228-I243 HydrophobicContact CD1-CD1 4.26Å; L228-I243 HydrophobicContact CD2-CD1 4.44Å; L228-I243 HydrophobicContact CG-CD1 3.86Å; L228-S270 CarbonylContact C-O 3.57Å; L228-S270 WeakPolarHBondContact CA-O 3.38Å |
| 229 | T | 92.4 | Very high | 90.2 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -71.6 | -14.9 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | G231 K232 S270 V299 | T229-G231 PolarHBondContact O-N 2.71Å; T229-K232 PolarHBondContact O-N 2.88Å; T229-S270 WeakPolarHBondContact CG2-O 3.38Å; T229-S270 PolarHBondContact N-O 3.21Å; T229-S270 PolarHBondContact OG1-O 3.01Å; T229-V299 HydrophobicContact CG2-CG1 3.72Å |
| 230 | T | 88.1 | Confident | 91 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 67% | 0.669 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 121.5 | 174.2 | 50 | 0 | 0 | 0 | 0 | 110.8 | L228 | L228-T230 WeakPolarHBondContact CB-OG1 3.41Å; L228-T230 PolarHBondContact O-N 3.21Å |
| 231 | G | 87.6 | Confident | 91.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 81% | 0.814 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 2.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T229 | T229-G231 PolarHBondContact O-N 2.71Š|
| 232 | K | 91.4 | Very high | 91.7 | Very high | 127 Ų | 127 | 58 Ų | 58 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | trans | 55 | 63.5 | 176.2 | -58.4 | 179.5 | 179.9 | 177.7 | 0 | 113.3 | T229 V298 V299 L300 | T229-K232 PolarHBondContact O-N 2.88Å; K232-V298 HydrophobicContact CB-CB 4.34Å; K232-V298 HydrophobicContact CB-CG2 4.34Å; K232-V299 WeakPolarHBondContact CA-O 3.38Å; K232-L300 HydrophobicContact CD-CD2 4.25Å | ||
| 233 | P | 93.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | trans | -63.3 | 152.8 | 178.3 | 29.9 | -36.8 | 0 | 0 | 0 | 111.9 | T237 V299 | P233-T237 HydrophobicContact CB-CG2 3.96Å; P233-V299 HydrophobicContact CG-CB 4.36Å; P233-V299 HydrophobicContact CG-CG2 4.47Å; P233-V299 WeakPolarHBondContact O-CG2 3.47Å; P233-V299 PolarHBondContact O-N 3.43Å | ||
| 234 | N | 93.4 | Very high | 92 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -97.7 | 177.2 | 157.1 | 64.7 | 27.2 | 0 | 0 | 0 | 109.8 | I236 T237 C238 P297 V298 | N234-I236 VanDerWaalsContact C-N 3.27Å; N234-I236 PolarHBondContact O-N 3.07Å; N234-I236 PolarHBondContact OD1-N 3.26Å; N234-I236 VanDerWaalsContact OD1-N 3.12Å; N234-T237 PolarHBondContact O-N 3.24Å; N234-T237 VanDerWaalsContact O-N 3.14Å; N234-T237 PolarHBondContact OD1-N 3.43Å; N234-T237 PolarHBondContact OD1-OG1 2.77Å; N234-C238 WeakPolarHBondContact O-CB 3.23Å; N234-C238 PolarHBondContact O-N 3.39Å; N234-P297 WeakPolarHBondContact CB-O 3.17Å; N234-V298 HydrophobicContact CB-CG1 4.2Å | ||
| 235 | A | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50.4 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I183 C238 Y239 P283 T286 | I183-A235 HydrophobicContact CG1-CB 4.04Å; A235-C238 WeakPolarHBondContact O-CB 3.38Å; A235-C238 PolarHBondContact O-N 3.23Å; A235-Y239 WeakPolarHBondContact O-CB 3.45Å; A235-Y239 PolarHBondContact O-N 3.04Å; A235-P283 HydrophobicContact CB-CG 3.88Å; A235-T286 HydrophobicContact CB-CG2 4.46Å; A235-T286 WeakPolarHBondContact CB-OG1 3.31Å |
| 236 | I | 93.1 | Very high | 91.4 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | -178.7 | -61.5 | 168.4 | 0 | 0 | 0 | 111.3 | A181 N234 K240 | A181-I236 HydrophobicContact CB-CD1 4.41Å; N234-I236 VanDerWaalsContact C-N 3.27Å; N234-I236 PolarHBondContact O-N 3.07Å; N234-I236 PolarHBondContact OD1-N 3.26Å; N234-I236 VanDerWaalsContact OD1-N 3.12Å; I236-K240 HydrophobicContact CG2-CD 4.16Å; I236-K240 WeakPolarHBondContact O-CB 3.39Å; I236-K240 VanDerWaalsContact O-CG 3.31Å; I236-K240 WeakPolarHBondContact O-CG 3.34Å; I236-K240 PolarHBondContact O-N 2.89Å |
| 237 | T | 92.8 | Very high | 90.4 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | P233 N234 K240 R241 | P233-T237 HydrophobicContact CB-CG2 3.96Å; N234-T237 PolarHBondContact O-N 3.24Å; N234-T237 VanDerWaalsContact O-N 3.14Å; N234-T237 PolarHBondContact OD1-N 3.43Å; N234-T237 PolarHBondContact OD1-OG1 2.77Å; T237-K240 PolarHBondContact O-N 3.37Å; T237-R241 PolarHBondContact O-N 2.6Å |
| 238 | C | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.4 | -52.5 | 174.3 | -160.7 | 0 | 0 | 0 | 0 | 110.8 | C227 N234 A235 K240 R241 T286 | C227-C238 HydrophobicContact CB-CB 3.93Å; C227-C238 WeakPolarHBondContact CB-SG 3.32Å; C227-C238 VanDerWaalsContact SG-CA 3.54Å; C227-C238 WeakPolarHBondContact SG-CB 3.09Å; C227-C238 CovalentContact SG-SG 2.03Å; C227-C238 PolarHBondContact SG-SG 2.67Å; N234-C238 WeakPolarHBondContact O-CB 3.23Å; N234-C238 PolarHBondContact O-N 3.39Å; A235-C238 WeakPolarHBondContact O-CB 3.38Å; A235-C238 PolarHBondContact O-N 3.23Å; C238-K240 VanDerWaalsContact C-N 3.29Å; C238-K240 PolarHBondContact O-N 2.67Å; C238-R241 CarbonylContact O-C 3.58Å; C238-R241 PolarHBondContact O-N 2.85Å; C238-T286 HydrophobicContact CB-CG2 4.48Å |
| 239 | Y | 93.1 | Very high | 89.2 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 174.2 | 166.1 | -97.4 | 0 | 0 | 0 | 114 | A235 K276 Q280 G282 | A235-Y239 WeakPolarHBondContact O-CB 3.45Å; A235-Y239 PolarHBondContact O-N 3.04Å; Y239-K276 HydrophobicContact CD2-CB 3.92Å; Y239-K276 HydrophobicContact CE2-CB 3.87Å; Y239-K276 HydrophobicContact CE2-CD 4.38Å; Y239-Q280 PolarHBondContact OH-O 3.15Å; Y239-G282 VanDerWaalsContact CD2-C 3.42Å; Y239-G282 VanDerWaalsContact CE2-C 3.41Å; Y239-G282 VanDerWaalsContact CE2-O 3.23Å; Y239-G282 WeakPolarHBondContact CE2-O 3.4Å; Y239-G282 PolarHBondContact OH-N 2.88Å; Y239-G282 VanDerWaalsContact OH-N 3.09Å |
| 240 | K | 91.4 | Very high | 89 | Confident | 151 Ų | 151 | 73 Ų | 73 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -79.3 | -15.9 | -179.8 | -77.9 | -179.2 | 178.9 | -176.7 | 0 | 114.6 | I236 T237 C238 | I236-K240 HydrophobicContact CG2-CD 4.16Å; I236-K240 WeakPolarHBondContact O-CB 3.39Å; I236-K240 VanDerWaalsContact O-CG 3.31Å; I236-K240 WeakPolarHBondContact O-CG 3.34Å; I236-K240 PolarHBondContact O-N 2.89Å; T237-K240 PolarHBondContact O-N 3.37Å; C238-K240 VanDerWaalsContact C-N 3.29Å; C238-K240 PolarHBondContact O-N 2.67Å |
| 241 | R | 87.9 | Confident | 89 | Confident | 202 Ų | 202 | 68.6 Ų | 68.6 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -139 | 63.9 | 179.3 | -66.9 | -173.8 | 178.4 | 173.8 | -0.7 | 111 | T237 C238 | T237-R241 PolarHBondContact O-N 2.6Å; C238-R241 CarbonylContact O-C 3.58Å; C238-R241 PolarHBondContact O-N 2.85Å |
| 242 | P | 86.3 | Confident | 88.8 | Confident | 51 Ų | 51 | 68 Ų | 68 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | trans | -74.3 | 159.3 | 179 | 32.2 | -34.9 | 0 | 0 | 0 | 112.1 | E225 Y226 | E225-P242 HydrophobicContact CB-CB 3.65Å; E225-P242 VanDerWaalsContact CD-CB 3.46Å; E225-P242 HydrophobicContact CG-CB 4.03Å; E225-P242 WeakPolarHBondContact OE2-CB 3.38Å; E225-P242 VanDerWaalsContact OE2-CG 3.28Å; E225-P242 WeakPolarHBondContact OE2-CG 3.5Å; Y226-P242 CarbonylContact O-C 3.54Å; Y226-P242 WeakPolarHBondContact O-CA 3.46Å | ||
| 243 | I | 93.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -126.5 | 137.6 | 168.2 | -51.2 | 173.9 | 0 | 0 | 0 | 106.3 | Y226 L228 | Y226-I243 HydrophobicContact CD1-CB 4.26Å; Y226-I243 VanDerWaalsContact CD1-O 3.28Å; Y226-I243 WeakPolarHBondContact CD1-O 3.42Å; Y226-I243 HydrophobicContact CD2-CB 4.16Å; Y226-I243 HydrophobicContact CD2-CD1 4.41Å; Y226-I243 HydrophobicContact CE1-CB 3.95Å; Y226-I243 HydrophobicContact CE1-CG2 3.8Å; Y226-I243 HydrophobicContact CE2-CB 3.84Å; Y226-I243 HydrophobicContact CE2-CD1 3.88Å; Y226-I243 HydrophobicContact CE2-CG1 4.41Å; Y226-I243 HydrophobicContact CE2-CG2 4.02Å; Y226-I243 HydrophobicContact CG-CB 4.37Å; Y226-I243 VanDerWaalsContact CZ-CG2 3.47Å; Y226-I243 PolarHBondContact N-O 2.95Å; Y226-I243 PolarHBondContact O-N 3.32Å; Y226-I243 WeakPolarHBondContact OH-CG2 3.18Å; L228-I243 HydrophobicContact CD1-CD1 4.26Å; L228-I243 HydrophobicContact CD2-CD1 4.44Å; L228-I243 HydrophobicContact CG-CD1 3.86Å |
| 244 | Q | 90.9 | Very high | 87.7 | Confident | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 144.1 | 178.8 | -67.9 | 177.9 | -27.2 | 0 | 0 | 110.8 | Y226 | Y226-Q244 WeakPolarHBondContact CE1-O 3.39Š|
| 245 | F | 89.5 | Confident | 87.1 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 159.5 | 174 | -65.5 | -79.8 | 0 | 0 | 0 | 111.9 | W224 E225 Y226 I250 L265 I273 | W224-F245 HydrophobicContact CB-CE2 4.2Å; W224-F245 WeakPolarHBondContact O-CD2 3.42Å; E225-F245 VanDerWaalsContact C-CE2 3.49Å; Y226-F245 AromaticContact CD1-CD1 3.59Å; Y226-F245 HydrophobicContact CD1-CD1 3.59Å; Y226-F245 HydrophobicContact CD1-CD2 4.36Å; Y226-F245 AromaticContact CD1-CE1 3.54Å; Y226-F245 HydrophobicContact CD1-CE1 3.54Å; Y226-F245 HydrophobicContact CD1-CE2 4.35Å; Y226-F245 HydrophobicContact CD1-CG 4.03Å; Y226-F245 AromaticContact CD1-CZ 3.96Å; Y226-F245 HydrophobicContact CD1-CZ 3.96Å; Y226-F245 HydrophobicContact CE1-CD1 4.06Å; Y226-F245 HydrophobicContact CE1-CE1 4.38Å; Y226-F245 HydrophobicContact CE1-CG 4.47Å; Y226-F245 HydrophobicContact CG-CE1 4.05Å; Y226-F245 HydrophobicContact CG-CZ 4.31Å; F245-I250 HydrophobicContact CB-CD1 3.84Å; F245-I250 HydrophobicContact CB-CG1 3.84Å; F245-I250 HydrophobicContact CB-CG2 4.37Å; F245-I250 HydrophobicContact CD1-CG2 3.9Å; F245-I250 HydrophobicContact CD2-CD1 3.39Å; F245-I250 HydrophobicContact CD2-CG1 4.22Å; F245-I250 HydrophobicContact CD2-CG2 4.29Å; F245-I250 HydrophobicContact CE1-CG2 4.21Å; F245-I250 HydrophobicContact CE2-CD1 4.07Å; F245-I250 HydrophobicContact CG-CD1 3.76Å; F245-I250 HydrophobicContact CG-CG1 4.08Å; F245-I250 HydrophobicContact CG-CG2 3.93Å; F245-I250 HydrophobicContact CZ-CG2 4.49Å; F245-L265 HydrophobicContact CD1-CD1 4.18Å; F245-L265 HydrophobicContact CD1-CD2 4.02Å; F245-L265 HydrophobicContact CE1-CD1 4.41Å; F245-L265 HydrophobicContact CE1-CD2 3.92Å; F245-I273 HydrophobicContact CE1-CD1 4.13Å; F245-I273 HydrophobicContact CE1-CG1 4.36Å; F245-I273 HydrophobicContact CE2-CG2 4.49Å; F245-I273 HydrophobicContact CZ-CB 4.47Å; F245-I273 HydrophobicContact CZ-CD1 3.87Å; F245-I273 HydrophobicContact CZ-CG1 3.9Å; F245-I273 HydrophobicContact CZ-CG2 3.97Å |
| 246 | S | 84.9 | Confident | 86.7 | Confident | 60 Ų | 60 | 61 Ų | 61 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 148.5 | 166.2 | 98.4 | 0 | 0 | 0 | 0 | 109.9 | N248 S249 | S246-N248 PolarHBondContact O-N 3.09Å; S246-S249 PolarHBondContact O-N 2.77Å; S246-S249 PolarHBondContact OG-N 2.79Å; S246-S249 PolarHBondContact OG-OG 3.36Å |
| 247 | P | 73.1 | Confident | 86.5 | Confident | 122 Ų | 122 | 57.5 Ų | 57.5 | 79% | 0.792 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.6 | -175.6 | -28.3 | 35.9 | 0 | 0 | 0 | 116.1 | ||
| 248 | N | 77.7 | Confident | 86.4 | Confident | 113 Ų | 113 | 54.2 Ų | 54.2 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -7.3 | -178.6 | -65.2 | -15.4 | 0 | 0 | 0 | 113.4 | S246 T261 | S246-N248 PolarHBondContact O-N 3.09Å; N248-T261 PolarHBondContact O-OG1 2.9Å |
| 249 | S | 86.8 | Confident | 86.4 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -20.5 | -177.9 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | S246 T261 D262 | S246-S249 PolarHBondContact O-N 2.77Å; S246-S249 PolarHBondContact OG-N 2.79Å; S246-S249 PolarHBondContact OG-OG 3.36Å; S249-T261 PolarHBondContact O-N 3.06Å; S249-T261 PolarHBondContact O-OG1 3.1Å; S249-T261 VanDerWaalsContact O-OG1 3.1Å; S249-D262 PolarHBondContact O-N 3.16Å |
| 250 | I | 88.5 | Confident | 86.4 | Confident | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.7 | 179.4 | 62.9 | 163.7 | 0 | 0 | 0 | 112.5 | W224 F245 E252 V258 Y259 L260 T261 | W224-I250 HydrophobicContact CB-CD1 4.28Å; F245-I250 HydrophobicContact CB-CD1 3.84Å; F245-I250 HydrophobicContact CB-CG1 3.84Å; F245-I250 HydrophobicContact CB-CG2 4.37Å; F245-I250 HydrophobicContact CD1-CG2 3.9Å; F245-I250 HydrophobicContact CD2-CD1 3.39Å; F245-I250 HydrophobicContact CD2-CG1 4.22Å; F245-I250 HydrophobicContact CD2-CG2 4.29Å; F245-I250 HydrophobicContact CE1-CG2 4.21Å; F245-I250 HydrophobicContact CE2-CD1 4.07Å; F245-I250 HydrophobicContact CG-CD1 3.76Å; F245-I250 HydrophobicContact CG-CG1 4.08Å; F245-I250 HydrophobicContact CG-CG2 3.93Å; F245-I250 HydrophobicContact CZ-CG2 4.49Å; I250-E252 HydrophobicContact CD1-CG 3.7Å; I250-E252 WeakPolarHBondContact CD1-OE1 3.15Å; I250-V258 HydrophobicContact CB-CG2 3.7Å; I250-V258 HydrophobicContact CD1-CG2 3.85Å; I250-V258 HydrophobicContact CG1-CG2 4.31Å; I250-V258 HydrophobicContact CG2-CG2 4.13Å; I250-Y259 CarbonylContact C-O 3.47Å; I250-Y259 WeakPolarHBondContact CA-O 3.44Å; I250-L260 HydrophobicContact CG2-CD2 3.7Å; I250-T261 PolarHBondContact N-OG1 3.43Å |
| 251 | V | 87.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 114 | 166.2 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | F253 V258 Y259 T261 R340 L342 | V251-F253 HydrophobicContact CB-CE2 4.32Å; V251-F253 HydrophobicContact CG1-CD2 4.39Å; V251-F253 HydrophobicContact CG1-CE2 3.6Å; V251-F253 HydrophobicContact CG1-CZ 4.05Å; V251-V258 WeakPolarHBondContact O-CA 3.36Å; V251-Y259 PolarHBondContact N-O 2.78Å; V251-Y259 PolarHBondContact O-N 2.88Å; V251-T261 HydrophobicContact CG2-CG2 3.83Å; V251-R340 HydrophobicContact CG1-CG 4.35Å; V251-L342 HydrophobicContact CB-CD2 4.46Å; V251-L342 HydrophobicContact CG2-CD2 4.25Å |
| 252 | E | 83.8 | Confident | 86.4 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 143.9 | -178.7 | -63 | -172.3 | -135.6 | 0 | 0 | 113 | W224 I250 V258 R340 | W224-E252 HydrophobicContact CB-CG 4.26Å; W224-E252 HydrophobicContact CG-CG 4.39Å; W224-E252 PolarHBondContact N-OE2 3.05Å; I250-E252 HydrophobicContact CD1-CG 3.7Å; I250-E252 WeakPolarHBondContact CD1-OE1 3.15Å; E252-V258 HydrophobicContact CG-CG2 3.94Å; E252-R340 PolarHBondContact O-NH1 3.08Å |
| 253 | F | 81.9 | Confident | 86.5 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | trans | -123.3 | 147.3 | 177.3 | -69.6 | -102.4 | 0 | 0 | 0 | 111.5 | V251 N255 G256 S257 Y259 L342 H929 F930 | V251-F253 HydrophobicContact CB-CE2 4.32Å; V251-F253 HydrophobicContact CG1-CD2 4.39Å; V251-F253 HydrophobicContact CG1-CE2 3.6Å; V251-F253 HydrophobicContact CG1-CZ 4.05Å; F253-N255 WeakPolarHBondContact CB-OD1 3.41Å; F253-N255 PolarHBondContact O-N 3.01Å; F253-G256 PolarHBondContact O-N 2.96Å; F253-S257 PolarHBondContact N-O 2.95Å; F253-Y259 AromaticContact CD2-CD2 3.88Å; F253-Y259 HydrophobicContact CD2-CD2 3.88Å; F253-Y259 AromaticContact CD2-CE2 3.96Å; F253-Y259 HydrophobicContact CD2-CE2 3.96Å; F253-Y259 AromaticContact CE2-CD2 3.56Å; F253-Y259 HydrophobicContact CE2-CD2 3.56Å; F253-Y259 AromaticContact CE2-CE2 3.8Å; F253-Y259 HydrophobicContact CE2-CE2 3.8Å; F253-L342 HydrophobicContact CE2-CD1 3.73Å; F253-L342 HydrophobicContact CZ-CD1 3.74Å; F253-H929 HydrophobicContact CD1-CB 4.44Å; F253-H929 AromaticContact CD1-CE1 3.5Å; F253-H929 VanDerWaalsContact CD1-CE1 3.5Å; F253-H929 WeakPolarHBondContact CD1-CE1 3.36Å; F253-H929 AromaticContact CD1-CG 3.85Å; F253-H929 AromaticContact CD1-ND1 3.19Å; F253-H929 WeakPolarHBondContact CD1-ND1 3.47Å; F253-H929 AromaticContact CD2-CE1 3.9Å; F253-H929 HydrophobicContact CE1-CB 4.2Å; F253-H929 AromaticContact CE1-CE1 3.82Å; F253-H929 AromaticContact CE1-CG 3.74Å; F253-H929 AromaticContact CE1-ND1 3.56Å; F253-H929 AromaticContact CG-CE1 3.54Å; F253-H929 AromaticContact CG-ND1 3.67Å; F253-F930 AromaticContact CD1-CE2 3.65Å; F253-F930 HydrophobicContact CD1-CE2 3.65Å; F253-F930 HydrophobicContact CD1-CZ 4.15Å; F253-F930 AromaticContact CE1-CE2 3.81Å; F253-F930 HydrophobicContact CE1-CE2 3.81Å | ||
| 254 | I | 79.6 | Confident | 86.3 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.3 | -174 | -167.1 | 158.8 | 0 | 0 | 0 | 113.3 | L175 V205 W208 G256 F930 | L175-I254 WeakPolarHBondContact CD1-O 3.28Å; V205-I254 HydrophobicContact CG1-CG2 4.45Å; W208-I254 HydrophobicContact CH2-CD1 4.49Å; W208-I254 HydrophobicContact CH2-CG1 4.35Å; W208-I254 HydrophobicContact CZ3-CD1 4.05Å; W208-I254 HydrophobicContact CZ3-CG1 4.19Å; W208-I254 HydrophobicContact CZ3-CG2 4.23Å; I254-G256 PolarHBondContact O-N 2.85Å; I254-G256 VanDerWaalsContact O-N 3.17Å; I254-F930 HydrophobicContact CG2-CE1 4.22Å |
| 255 | N | 81.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.8 | 172.8 | 61.7 | 8.7 | 0 | 0 | 0 | 114.3 | I202 V205 F253 S257 I928 H929 | I202-N255 HydrophobicContact CB-CB 4.21Å; I202-N255 HydrophobicContact CG2-CB 4.19Å; V205-N255 HydrophobicContact CB-CB 4.32Å; V205-N255 HydrophobicContact CG2-CB 3.78Å; F253-N255 WeakPolarHBondContact CB-OD1 3.41Å; F253-N255 PolarHBondContact O-N 3.01Å; N255-S257 WeakPolarHBondContact OD1-CB 3.33Å; N255-S257 PolarHBondContact OD1-N 2.83Å; N255-I928 PolarHBondContact ND2-O 2.85Å; N255-H929 PolarHBondContact ND2-ND1 2.92Å |
| 256 | G | 85.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 88.7 | 14.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | C198 W224 F253 I254 | C198-G256 VanDerWaalsContact CB-O 3.26Å; C198-G256 WeakPolarHBondContact CB-O 3.3Å; C198-G256 PolarHBondContact N-O 3.32Å; W224-G256 VanDerWaalsContact CZ2-O 3.28Å; W224-G256 WeakPolarHBondContact CZ2-O 3.47Å; F253-G256 PolarHBondContact O-N 2.96Å; I254-G256 PolarHBondContact O-N 2.85Å; I254-G256 VanDerWaalsContact O-N 3.17Å |
| 257 | S | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 147.5 | 163 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | E195 L196 F253 N255 | E195-S257 PolarHBondContact OE1-OG 3.47Å; L196-S257 CarbonylContact O-C 3.5Å; L196-S257 WeakPolarHBondContact O-CA 3.3Å; F253-S257 PolarHBondContact N-O 2.95Å; N255-S257 WeakPolarHBondContact OD1-CB 3.33Å; N255-S257 PolarHBondContact OD1-N 2.83Å |
| 258 | V | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 145.9 | 163.6 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | E195 L196 W224 I250 V251 E252 | E195-V258 WeakPolarHBondContact CA-O 3.2Å; L196-V258 HydrophobicContact CB-CG1 3.82Å; L196-V258 PolarHBondContact N-O 3.09Å; L196-V258 PolarHBondContact O-N 3.24Å; W224-V258 HydrophobicContact CB-CG2 4.46Å; W224-V258 HydrophobicContact CD2-CB 3.8Å; W224-V258 HydrophobicContact CD2-CG1 3.41Å; W224-V258 VanDerWaalsContact CD2-CG1 3.41Å; W224-V258 VanDerWaalsContact CE2-CG1 3.42Å; W224-V258 HydrophobicContact CE3-CB 4.49Å; W224-V258 HydrophobicContact CE3-CG1 3.62Å; W224-V258 HydrophobicContact CG-CB 3.81Å; W224-V258 HydrophobicContact CG-CG1 3.91Å; W224-V258 HydrophobicContact CG-CG2 4.22Å; W224-V258 HydrophobicContact CH2-CG1 3.78Å; W224-V258 HydrophobicContact CZ2-CB 4.15Å; W224-V258 HydrophobicContact CZ2-CG1 3.6Å; W224-V258 HydrophobicContact CZ3-CG1 3.81Å; I250-V258 HydrophobicContact CB-CG2 3.7Å; I250-V258 HydrophobicContact CD1-CG2 3.85Å; I250-V258 HydrophobicContact CG1-CG2 4.31Å; I250-V258 HydrophobicContact CG2-CG2 4.13Å; V251-V258 WeakPolarHBondContact O-CA 3.36Å; E252-V258 HydrophobicContact CG-CG2 3.94Å |
| 259 | Y | 92.5 | Very high | 87.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.3 | 172.4 | -67.8 | -102.7 | 0 | 0 | 0 | 109.2 | P193 Y194 E195 I250 V251 F253 T261 L342 P927 H929 | P193-Y259 HydrophobicContact CB-CD1 4.24Å; Y194-Y259 CarbonylContact O-C 3.54Å; Y194-Y259 VanDerWaalsContact O-CA 3.31Å; Y194-Y259 WeakPolarHBondContact O-CA 3.37Å; E195-Y259 HydrophobicContact CB-CD1 4.01Å; E195-Y259 HydrophobicContact CB-CE1 3.63Å; E195-Y259 HydrophobicContact CG-CD1 4.44Å; E195-Y259 HydrophobicContact CG-CE1 3.87Å; E195-Y259 HydrophobicContact CG-CE2 4.07Å; E195-Y259 PolarHBondContact OE1-OH 3.39Å; E195-Y259 PolarHBondContact OE2-OH 2.96Å; I250-Y259 CarbonylContact C-O 3.47Å; I250-Y259 WeakPolarHBondContact CA-O 3.44Å; V251-Y259 PolarHBondContact N-O 2.78Å; V251-Y259 PolarHBondContact O-N 2.88Å; F253-Y259 AromaticContact CD2-CD2 3.88Å; F253-Y259 HydrophobicContact CD2-CD2 3.88Å; F253-Y259 AromaticContact CD2-CE2 3.96Å; F253-Y259 HydrophobicContact CD2-CE2 3.96Å; F253-Y259 AromaticContact CE2-CD2 3.56Å; F253-Y259 HydrophobicContact CE2-CD2 3.56Å; F253-Y259 AromaticContact CE2-CE2 3.8Å; F253-Y259 HydrophobicContact CE2-CE2 3.8Å; Y259-T261 PolarHBondContact O-N 3.17Å; Y259-L342 HydrophobicContact CD1-CD1 3.76Å; Y259-L342 HydrophobicContact CD2-CD1 3.52Å; Y259-L342 HydrophobicContact CE1-CD1 4.07Å; Y259-L342 HydrophobicContact CE2-CD1 3.91Å; Y259-L342 HydrophobicContact CG-CD1 3.46Å; Y259-L342 VanDerWaalsContact CG-CD1 3.46Å; Y259-P927 VanDerWaalsContact OH-CB 3.3Å; Y259-P927 WeakPolarHBondContact OH-CB 3.33Å; Y259-P927 WeakPolarHBondContact OH-CG 3.42Å; Y259-H929 AromaticContact CE2-CE1 3.83Å; Y259-H929 AromaticContact CE2-NE2 3.4Å; Y259-H929 WeakPolarHBondContact CE2-NE2 3.43Å; Y259-H929 AromaticContact CZ-NE2 3.51Å; Y259-H929 PolarHBondContact OH-NE2 3.21Å |
| 260 | L | 93.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118.5 | 169 | -49 | -175.1 | 0 | 0 | 0 | 107.7 | I189 F192 P193 Y194 L196 I250 V266 I273 L303 | I189-L260 HydrophobicContact CD1-CD1 4.27Å; F192-L260 HydrophobicContact CD1-CB 4.34Å; F192-L260 HydrophobicContact CE1-CB 4.21Å; P193-L260 WeakPolarHBondContact CA-O 3.36Å; Y194-L260 HydrophobicContact CD1-CD1 4.42Å; Y194-L260 PolarHBondContact N-O 3.14Å; Y194-L260 PolarHBondContact O-N 2.9Å; L196-L260 HydrophobicContact CD1-CD1 4.27Å; L196-L260 HydrophobicContact CD1-CD2 4.38Å; L196-L260 HydrophobicContact CD1-CG 4.43Å; I250-L260 HydrophobicContact CG2-CD2 3.7Å; L260-V266 HydrophobicContact CD1-CG1 4.39Å; L260-I273 HydrophobicContact CD1-CD1 3.88Å; L260-I273 HydrophobicContact CD2-CD1 3.65Å; L260-I273 HydrophobicContact CG-CD1 4.42Å; L260-L303 HydrophobicContact CD1-CD2 4.04Å |
| 261 | T | 90.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 32 Ų | 32 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | trans | -103.4 | -20.8 | -176.1 | 40.4 | 0 | 0 | 0 | 0 | 113.4 | P193 N248 S249 I250 V251 Y259 L342 Y369 | P193-T261 HydrophobicContact CB-CG2 4.26Å; P193-T261 HydrophobicContact CG-CG2 4.28Å; N248-T261 PolarHBondContact O-OG1 2.9Å; S249-T261 PolarHBondContact O-N 3.06Å; S249-T261 PolarHBondContact O-OG1 3.1Å; S249-T261 VanDerWaalsContact O-OG1 3.1Å; I250-T261 PolarHBondContact N-OG1 3.43Å; V251-T261 HydrophobicContact CG2-CG2 3.83Å; Y259-T261 PolarHBondContact O-N 3.17Å; T261-L342 HydrophobicContact CG2-CD2 4.32Å; T261-Y369 HydrophobicContact CG2-CD2 3.51Å; T261-Y369 HydrophobicContact CG2-CE2 3.59Å; T261-Y369 HydrophobicContact CG2-CG 4.34Å | ||
| 262 | D | 88.1 | Confident | 88.8 | Confident | 48 Ų | 48 | 31.1 Ų | 31.1 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | trans | -109 | 127.5 | 176.7 | 173 | 22 | 0 | 0 | 0 | 110.9 | S249 H264 | S249-D262 PolarHBondContact O-N 3.16Å; D262-H264 WeakPolarHBondContact OD1-CB 3.43Å; D262-H264 IonicContact OD1-CD2 2.69Å; D262-H264 PolarHBondContact OD1-CD2 3.33Å; D262-H264 IonicContact OD1-CG 2.65Å; D262-H264 PolarHBondContact OD1-N 2.65Å | ||
| 263 | A | 88.6 | Confident | 89.4 | Confident | 30 Ų | 30 | 28 Ų | 28 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -80.8 | -31.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | F192 L265 V266 E267 I305 | F192-A263 HydrophobicContact CD1-CB 4.36Å; F192-A263 HydrophobicContact CD2-CB 3.91Å; F192-A263 HydrophobicContact CE1-CB 4.16Å; F192-A263 HydrophobicContact CE2-CB 3.69Å; F192-A263 HydrophobicContact CG-CB 4.26Å; F192-A263 HydrophobicContact CZ-CB 3.83Å; A263-L265 PolarHBondContact O-N 3.01Å; A263-V266 WeakPolarHBondContact O-CG2 3.23Å; A263-V266 PolarHBondContact O-N 3.01Å; A263-E267 PolarHBondContact O-N 3.35Å; A263-I305 HydrophobicContact CB-CD1 4.06Å |
| 264 | H | 89.3 | Confident | 90 | Very high | 136 Ų | 136 | 27.5 Ų | 27.5 | 63% | 0.63 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -63.2 | -31.6 | -176 | -64 | -61.7 | 0 | 0 | 0 | 112.1 | D262 V266 E267 | D262-H264 WeakPolarHBondContact OD1-CB 3.43Å; D262-H264 IonicContact OD1-CD2 2.69Å; D262-H264 PolarHBondContact OD1-CD2 3.33Å; D262-H264 IonicContact OD1-CG 2.65Å; D262-H264 PolarHBondContact OD1-N 2.65Å; H264-V266 PolarHBondContact O-N 3.29Å; H264-V266 VanDerWaalsContact O-N 3.17Å; H264-E267 IonicContact CE1-OE2 3.96Å; H264-E267 IonicContact ND1-OE2 3.13Å; H264-E267 PolarHBondContact ND1-OE2 3.29Å; H264-E267 VanDerWaalsContact ND1-OE2 3.13Å; H264-E267 PolarHBondContact O-N 3.11Å |
| 265 | L | 88.6 | Confident | 90.8 | Very high | 22 Ų | 22 | 26.6 Ų | 26.6 | 12% | 0.115 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -42.9 | -44.8 | 169.4 | -173.9 | 70.6 | 0 | 0 | 0 | 113.1 | F245 A263 I271 | F245-L265 HydrophobicContact CD1-CD1 4.18Å; F245-L265 HydrophobicContact CD1-CD2 4.02Å; F245-L265 HydrophobicContact CE1-CD1 4.41Å; F245-L265 HydrophobicContact CE1-CD2 3.92Å; A263-L265 PolarHBondContact O-N 3.01Å; L265-I271 HydrophobicContact CD1-CD1 3.7Å; L265-I271 HydrophobicContact CG-CD1 4.16Å; L265-I271 WeakPolarHBondContact O-CD1 3.45Å |
| 266 | V | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -105.1 | -6.3 | -176 | -60.2 | 0 | 0 | 0 | 0 | 114 | F192 L260 A263 H264 S268 K269 L303 I305 | F192-V266 HydrophobicContact CE1-CG2 4.25Å; F192-V266 HydrophobicContact CZ-CG2 3.74Å; L260-V266 HydrophobicContact CD1-CG1 4.39Å; A263-V266 WeakPolarHBondContact O-CG2 3.23Å; A263-V266 PolarHBondContact O-N 3.01Å; H264-V266 PolarHBondContact O-N 3.29Å; H264-V266 VanDerWaalsContact O-N 3.17Å; V266-S268 PolarHBondContact O-N 3.05Å; V266-K269 PolarHBondContact O-N 3.31Å; V266-L303 HydrophobicContact CB-CB 4.03Å; V266-L303 HydrophobicContact CG1-CB 3.67Å; V266-I305 HydrophobicContact CG2-CG1 3.95Å |
| 267 | E | 88.2 | Confident | 91.4 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 39% | 0.393 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.3 | -35.6 | 179.7 | -177.2 | 165.2 | -159.1 | 0 | 0 | 112.8 | A263 H264 K269 I305 K307 | A263-E267 PolarHBondContact O-N 3.35Å; H264-E267 IonicContact CE1-OE2 3.96Å; H264-E267 IonicContact ND1-OE2 3.13Å; H264-E267 PolarHBondContact ND1-OE2 3.29Å; H264-E267 VanDerWaalsContact ND1-OE2 3.13Å; H264-E267 PolarHBondContact O-N 3.11Å; E267-K269 VanDerWaalsContact C-N 3.27Å; E267-K269 PolarHBondContact O-N 3.33Å; E267-I305 HydrophobicContact CB-CD1 3.8Å; E267-I305 HydrophobicContact CG-CD1 4.23Å; E267-K307 WeakPolarHBondContact OE1-CE 3.27Å; E267-K307 IonicContact OE1-NZ 3.76Å; E267-K307 PolarHBondContact OE1-NZ 2.92Å |
| 268 | S | 89.2 | Confident | 91.1 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -8.6 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | V266 S270 | V266-S268 PolarHBondContact O-N 3.05Å; S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 2.98Å; S268-S270 PolarHBondContact OG-OG 3Å |
| 269 | K | 92 | Very high | 90.3 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 39% | 0.387 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 53.2 | 14.2 | -167 | -56.7 | -167.2 | 164.3 | -171.9 | 0 | 115.4 | V266 E267 E301 G302 L303 | V266-K269 PolarHBondContact O-N 3.31Å; E267-K269 VanDerWaalsContact C-N 3.27Å; E267-K269 PolarHBondContact O-N 3.33Å; K269-E301 WeakPolarHBondContact CD-OE2 3.48Å; K269-E301 IonicContact NZ-OE2 3.73Å; K269-E301 PolarHBondContact NZ-OE2 2.87Å; K269-G302 VanDerWaalsContact O-CA 3.3Å; K269-G302 WeakPolarHBondContact O-CA 3.28Å; K269-G302 PolarHBondContact O-N 2.83Å; K269-L303 WeakPolarHBondContact CA-O 3.3Å |
| 270 | S | 92.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 38.9 Ų | 38.9 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | trans | -90.3 | -3.9 | -170.9 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | L228 T229 S268 | L228-S270 CarbonylContact C-O 3.57Å; L228-S270 WeakPolarHBondContact CA-O 3.38Å; T229-S270 WeakPolarHBondContact CG2-O 3.38Å; T229-S270 PolarHBondContact N-O 3.21Å; T229-S270 PolarHBondContact OG1-O 3.01Å; S268-S270 PolarHBondContact O-N 2.85Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 2.98Å; S268-S270 PolarHBondContact OG-OG 3Å | ||
| 271 | I | 93.6 | Very high | 89.4 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.9 | -168.3 | -63.8 | -167.7 | 0 | 0 | 0 | 112 | Y226 L265 I273 G302 L303 | Y226-I271 HydrophobicContact CD2-CB 4.42Å; Y226-I271 HydrophobicContact CD2-CD1 3.86Å; Y226-I271 HydrophobicContact CD2-CG1 4.03Å; Y226-I271 HydrophobicContact CD2-CG2 3.71Å; Y226-I271 HydrophobicContact CE2-CD1 3.7Å; Y226-I271 HydrophobicContact CE2-CG1 4.14Å; Y226-I271 HydrophobicContact CG-CD1 4.48Å; Y226-I271 HydrophobicContact CG-CG2 3.87Å; L265-I271 HydrophobicContact CD1-CD1 3.7Å; L265-I271 HydrophobicContact CG-CD1 4.16Å; L265-I271 WeakPolarHBondContact O-CD1 3.45Å; I271-I273 HydrophobicContact CG2-CG1 4.11Å; I271-G302 CarbonylContact O-C 3.46Å; I271-G302 WeakPolarHBondContact O-CA 3.28Å; I271-L303 WeakPolarHBondContact O-CD1 3.42Å; I271-L303 PolarHBondContact O-N 2.93Å |
| 272 | A | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y226 C227 F287 A288 V299 | Y226-A272 CarbonylContact C-O 3.59Å; Y226-A272 VanDerWaalsContact CA-O 3.29Å; Y226-A272 WeakPolarHBondContact CA-O 3.46Å; Y226-A272 WeakPolarHBondContact CB-O 3.11Å; C227-A272 PolarHBondContact N-O 3.06Å; C227-A272 PolarHBondContact O-N 3.24Å; A272-F287 CarbonylContact C-O 3.58Å; A272-F287 WeakPolarHBondContact CA-O 3.41Å; A272-F287 WeakPolarHBondContact CB-O 3.38Å; A272-A288 HydrophobicContact CB-CB 4.27Å; A272-V299 HydrophobicContact CB-CG1 4.34Å; A272-V299 HydrophobicContact CB-CG2 4.15Å |
| 273 | I | 96 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.1 | -170.7 | -62.1 | -175.4 | 0 | 0 | 0 | 110 | L196 W224 F245 L260 I271 T286 F287 L303 | L196-I273 HydrophobicContact CD1-CB 4.36Å; L196-I273 HydrophobicContact CD1-CD1 3.97Å; L196-I273 HydrophobicContact CD1-CG2 4.11Å; W224-I273 HydrophobicContact CE3-CG2 3.71Å; W224-I273 HydrophobicContact CZ3-CG2 3.86Å; F245-I273 HydrophobicContact CE1-CD1 4.13Å; F245-I273 HydrophobicContact CE1-CG1 4.36Å; F245-I273 HydrophobicContact CE2-CG2 4.49Å; F245-I273 HydrophobicContact CZ-CB 4.47Å; F245-I273 HydrophobicContact CZ-CD1 3.87Å; F245-I273 HydrophobicContact CZ-CG1 3.9Å; F245-I273 HydrophobicContact CZ-CG2 3.97Å; L260-I273 HydrophobicContact CD1-CD1 3.88Å; L260-I273 HydrophobicContact CD2-CD1 3.65Å; L260-I273 HydrophobicContact CG-CD1 4.42Å; I271-I273 HydrophobicContact CG2-CG1 4.11Å; I273-T286 CarbonylContact O-C 3.48Å; I273-T286 WeakPolarHBondContact O-CA 3.5Å; I273-F287 HydrophobicContact CB-CB 4.44Å; I273-F287 PolarHBondContact N-O 2.91Å; I273-F287 PolarHBondContact O-N 3.04Å; I273-L303 HydrophobicContact CB-CD1 4.46Å; I273-L303 HydrophobicContact CD1-CD1 4.42Å; I273-L303 HydrophobicContact CD1-CD2 4.04Å; I273-L303 HydrophobicContact CG1-CD1 4.05Å |
| 274 | V | 95.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.8 | -179.5 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | E225 P283 R285 | E225-V274 HydrophobicContact CB-CG1 4.22Å; E225-V274 PolarHBondContact N-O 3.43Å; E225-V274 PolarHBondContact O-N 2.76Å; E225-V274 VanDerWaalsContact O-O 3.13Å; V274-P283 HydrophobicContact CG2-CB 3.76Å; V274-R285 WeakPolarHBondContact CA-O 3.49Å |
| 275 | C | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133 | 162.7 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | C198 W224 I284 R285 | C198-C275 HydrophobicContact CB-CB 3.75Å; C198-C275 WeakPolarHBondContact CB-SG 3.32Å; C198-C275 WeakPolarHBondContact SG-CB 3.46Å; C198-C275 CovalentContact SG-SG 2.03Å; C198-C275 PolarHBondContact SG-SG 2.62Å; W224-C275 HydrophobicContact CD2-CB 4.11Å; W224-C275 HydrophobicContact CE3-CB 3.89Å; W224-C275 HydrophobicContact CH2-CB 3.98Å; W224-C275 HydrophobicContact CZ2-CB 4.14Å; W224-C275 HydrophobicContact CZ3-CB 3.83Å; C275-I284 PolarHBondContact O-N 2.78Å; C275-R285 PolarHBondContact N-O 2.84Å; C275-R285 PolarHBondContact O-N 2.81Å |
| 276 | K | 91.6 | Very high | 90.4 | Very high | 47 Ų | 47 | 38 Ų | 38 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 157.7 | 169.8 | 67.3 | -177 | -178.6 | -166.4 | 0 | 110.9 | Y222 R223 E225 Y239 | Y222-K276 CarbonylContact C-O 3.58Å; Y222-K276 WeakPolarHBondContact CA-O 3.45Å; R223-K276 HydrophobicContact CB-CD 4.4Å; R223-K276 HydrophobicContact CB-CG 3.86Å; R223-K276 PolarHBondContact N-O 2.87Å; R223-K276 PolarHBondContact O-N 3.39Å; E225-K276 WeakPolarHBondContact OE1-CE 3.12Å; E225-K276 IonicContact OE1-NZ 3.32Å; E225-K276 PolarHBondContact OE1-NZ 2.89Å; E225-K276 WeakPolarHBondContact OE2-CD 3.16Å; E225-K276 WeakPolarHBondContact OE2-CE 3.36Å; E225-K276 IonicContact OE2-NZ 2.84Å; E225-K276 PolarHBondContact OE2-NZ 2.94Å; Y239-K276 HydrophobicContact CD2-CB 3.92Å; Y239-K276 HydrophobicContact CE2-CB 3.87Å; Y239-K276 HydrophobicContact CE2-CD 4.38Å |
| 277 | H | 88.8 | Confident | 90.6 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 11% | 0.111 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.8 | 172.8 | 173.1 | -70.8 | 0 | 0 | 0 | 108.8 | L175 P221 Y222 G279 Q280 I284 | L175-H277 PolarHBondContact O-CD2 3.2Å; L175-H277 PolarHBondContact O-NE2 3.31Å; P221-H277 CarbonylContact O-C 3.16Å; P221-H277 VanDerWaalsContact O-CA 3.31Å; P221-H277 WeakPolarHBondContact O-CA 3.35Å; Y222-H277 HydrophobicContact CD1-CB 4.41Å; H277-G279 VanDerWaalsContact C-N 3.32Å; H277-G279 PolarHBondContact ND1-N 2.85Å; H277-G279 VanDerWaalsContact ND1-N 3.16Å; H277-G279 PolarHBondContact O-N 3.4Å; H277-Q280 HydrophobicContact CB-CB 4.26Å; H277-Q280 PolarHBondContact O-N 3.3Å; H277-I284 HydrophobicContact CB-CD1 3.8Å; H277-I284 HydrophobicContact CB-CG1 3.72Å |
| 278 | V | 81.2 | Confident | 91 | Very high | 84 Ų | 84 | 34.5 Ų | 34.5 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -43.6 | -170.6 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | P221 R223 Q280 | P221-V278 WeakPolarHBondContact O-CG2 3.43Å; P221-V278 PolarHBondContact O-N 3.03Å; R223-V278 HydrophobicContact CG-CG2 4.06Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 3.29Å |
| 279 | G | 74.8 | Confident | 91.3 | Very high | 63 Ų | 63 | 32 Ų | 32 | 65% | 0.649 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 17 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | H277 | H277-G279 VanDerWaalsContact C-N 3.32Å; H277-G279 PolarHBondContact ND1-N 2.85Å; H277-G279 VanDerWaalsContact ND1-N 3.16Å; H277-G279 PolarHBondContact O-N 3.4Å |
| 280 | Q | 80.9 | Confident | 91.5 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -136.6 | 147.2 | -176.7 | -72.2 | -177.8 | 0.7 | 0 | 0 | 113.5 | G177 P179 Y239 H277 V278 | G177-Q280 PolarHBondContact O-NE2 3.2Å; G177-Q280 PolarHBondContact O-OE1 2.96Å; P179-Q280 HydrophobicContact CG-CB 4.33Å; Y239-Q280 PolarHBondContact OH-O 3.15Å; H277-Q280 HydrophobicContact CB-CB 4.26Å; H277-Q280 PolarHBondContact O-N 3.3Å; V278-Q280 VanDerWaalsContact C-N 3.3Å; V278-Q280 PolarHBondContact O-N 3.29Å |
| 281 | L | 85.4 | Confident | 91.6 | Very high | 161 Ų | 161 | 32.4 Ų | 32.4 | 84% | 0.843 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -91.2 | 108.5 | 176.1 | -67.5 | 175.4 | 0 | 0 | 0 | 110.7 | ||
| 282 | G | 89.5 | Confident | 91.6 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 123.7 | 167.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y239 | Y239-G282 VanDerWaalsContact CD2-C 3.42Å; Y239-G282 VanDerWaalsContact CE2-C 3.41Å; Y239-G282 VanDerWaalsContact CE2-O 3.23Å; Y239-G282 WeakPolarHBondContact CE2-O 3.4Å; Y239-G282 PolarHBondContact OH-N 2.88Å; Y239-G282 VanDerWaalsContact OH-N 3.09Å |
| 283 | P | 92.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 142.8 | 168.7 | 28 | -32.8 | 0 | 0 | 0 | 110.3 | P179 S180 A235 V274 | P179-P283 CarbonylContact C-O 3.36Å; P179-P283 VanDerWaalsContact CA-O 3.29Å; P179-P283 WeakPolarHBondContact CA-O 3.46Å; S180-P283 PolarHBondContact N-O 2.8Å; S180-P283 WeakPolarHBondContact O-CG 3.44Å; A235-P283 HydrophobicContact CB-CG 3.88Å; V274-P283 HydrophobicContact CG2-CB 3.76Å |
| 284 | I | 93.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -41.8 | 167.8 | -53 | -50.1 | 0 | 0 | 0 | 109.6 | P179 S180 V199 C275 H277 | P179-I284 HydrophobicContact CG-CD1 4.29Å; S180-I284 WeakPolarHBondContact CB-O 3.5Å; V199-I284 HydrophobicContact CG2-CG2 4.36Å; C275-I284 PolarHBondContact O-N 2.78Å; H277-I284 HydrophobicContact CB-CD1 3.8Å; H277-I284 HydrophobicContact CB-CG1 3.72Å |
| 285 | R | 94.5 | Very high | 89.7 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 142.4 | 179.8 | -151.3 | 165.2 | 179.8 | 165.4 | 16.3 | 110.1 | D184 R197 D200 V274 C275 F287 | D184-R285 IonicContact OD2-CZ 2.77Å; D184-R285 VanDerWaalsContact OD2-CZ 3.26Å; D184-R285 IonicContact OD2-NE 2.63Å; D184-R285 PolarHBondContact OD2-NE 2.76Å; D184-R285 IonicContact OD2-NH2 2.71Å; D184-R285 PolarHBondContact OD2-NH2 2.91Å; R197-R285 VanDerWaalsContact O-CD 3.25Å; R197-R285 WeakPolarHBondContact O-CD 3.42Å; R197-R285 PolarHBondContact O-NH1 3.49Å; D200-R285 IonicContact OD1-CZ 2.65Å; D200-R285 IonicContact OD1-NH1 3.34Å; D200-R285 PolarHBondContact OD1-NH1 2.79Å; D200-R285 IonicContact OD1-NH2 2.67Å; D200-R285 PolarHBondContact OD1-NH2 3.48Å; D200-R285 IonicContact OD2-NH1 3.69Å; D200-R285 IonicContact OD2-NH2 3.41Å; V274-R285 WeakPolarHBondContact CA-O 3.49Å; C275-R285 PolarHBondContact N-O 2.84Å; C275-R285 PolarHBondContact O-N 2.81Å; R285-F287 HydrophobicContact CB-CE2 4.1Å; R285-F287 HydrophobicContact CB-CZ 4.32Å; R285-F287 VanDerWaalsContact CD-CZ 3.44Å; R285-F287 HydrophobicContact CG-CE1 4.26Å; R285-F287 HydrophobicContact CG-CE2 3.9Å; R285-F287 HydrophobicContact CG-CZ 3.68Å |
| 286 | T | 95.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.9 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | I183 D184 A235 C238 I273 | I183-T286 CarbonylContact C-O 3.59Å; I183-T286 WeakPolarHBondContact CA-O 3Å; I183-T286 HydrophobicContact CG1-CG2 4.26Å; I183-T286 HydrophobicContact CG2-CG2 4.28Å; D184-T286 PolarHBondContact N-O 3.43Å; A235-T286 HydrophobicContact CB-CG2 4.46Å; A235-T286 WeakPolarHBondContact CB-OG1 3.31Å; C238-T286 HydrophobicContact CB-CG2 4.48Å; I273-T286 CarbonylContact O-C 3.48Å; I273-T286 WeakPolarHBondContact O-CA 3.5Å |
| 287 | F | 96.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.9 | -174.5 | -61.7 | -82.6 | 0 | 0 | 0 | 110.4 | D184 V186 L196 W224 A272 I273 R285 L303 | D184-F287 HydrophobicContact CB-CD1 3.84Å; D184-F287 HydrophobicContact CB-CE1 4.03Å; D184-F287 WeakPolarHBondContact O-CA 3.44Å; V186-F287 HydrophobicContact CG2-CB 3.88Å; V186-F287 HydrophobicContact CG2-CD1 3.7Å; V186-F287 HydrophobicContact CG2-CG 4.23Å; L196-F287 HydrophobicContact CB-CE2 4.26Å; L196-F287 HydrophobicContact CB-CZ 4.33Å; L196-F287 HydrophobicContact CD1-CD2 4.17Å; L196-F287 HydrophobicContact CD1-CG 4.29Å; L196-F287 HydrophobicContact CD2-CD1 3.76Å; L196-F287 HydrophobicContact CD2-CD2 4.32Å; L196-F287 HydrophobicContact CD2-CE1 3.89Å; L196-F287 HydrophobicContact CD2-CE2 4.44Å; L196-F287 HydrophobicContact CD2-CG 3.96Å; L196-F287 HydrophobicContact CD2-CZ 4.2Å; W224-F287 HydrophobicContact CH2-CD2 4.45Å; W224-F287 AromaticContact CH2-CE2 3.66Å; W224-F287 HydrophobicContact CH2-CE2 3.66Å; W224-F287 HydrophobicContact CH2-CZ 4.39Å; W224-F287 HydrophobicContact CZ3-CD2 4.02Å; W224-F287 AromaticContact CZ3-CE2 3.66Å; W224-F287 HydrophobicContact CZ3-CE2 3.66Å; A272-F287 CarbonylContact C-O 3.58Å; A272-F287 WeakPolarHBondContact CA-O 3.41Å; A272-F287 WeakPolarHBondContact CB-O 3.38Å; I273-F287 HydrophobicContact CB-CB 4.44Å; I273-F287 PolarHBondContact N-O 2.91Å; I273-F287 PolarHBondContact O-N 3.04Å; R285-F287 HydrophobicContact CB-CE2 4.1Å; R285-F287 HydrophobicContact CB-CZ 4.32Å; R285-F287 VanDerWaalsContact CD-CZ 3.44Å; R285-F287 HydrophobicContact CG-CE1 4.26Å; R285-F287 HydrophobicContact CG-CE2 3.9Å; R285-F287 HydrophobicContact CG-CZ 3.68Å; F287-L303 HydrophobicContact CB-CD1 4.33Å; F287-L303 VanDerWaalsContact O-CD1 3.3Å; F287-L303 WeakPolarHBondContact O-CD1 3.06Å |
| 288 | A | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I183 D184 V185 V186 A272 V291 V299 | I183-A288 HydrophobicContact CG2-CB 3.72Å; D184-A288 PolarHBondContact O-N 3.1Å; D184-A288 VanDerWaalsContact O-N 3.08Å; V185-A288 CarbonylContact C-O 3.54Å; V185-A288 WeakPolarHBondContact CA-O 3.43Å; V186-A288 PolarHBondContact N-O 3.42Å; A272-A288 HydrophobicContact CB-CB 4.27Å; A288-V291 HydrophobicContact CB-CG1 4.25Å; A288-V299 HydrophobicContact CB-CB 4.41Å; A288-V299 HydrophobicContact CB-CG1 3.79Å; A288-V299 HydrophobicContact CB-CG2 3.82Å |
| 289 | G | 95.7 | Very high | 90.1 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -83 | -20.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E301 G302 | G289-E301 PolarHBondContact N-O 3.34Å; G289-G302 WeakPolarHBondContact CA-O 3.42Å; G289-G302 VanDerWaalsContact N-C 3.29Å; G289-G302 PolarHBondContact N-O 2.83Å; G289-G302 VanDerWaalsContact N-O 3.16Å |
| 290 | K | 94.7 | Very high | 91 | Very high | 98 Ų | 98 | 53.5 Ų | 53.5 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 140.1 | -179.4 | -164.1 | 176.2 | -179.6 | 171 | 0 | 112 | L300 E301 | K290-L300 HydrophobicContact CB-CB 4.32Å; K290-L300 HydrophobicContact CD-CB 4.39Å; K290-L300 HydrophobicContact CG-CB 4.21Å; K290-L300 HydrophobicContact CG-CD1 4.48Å; K290-L300 PolarHBondContact O-N 3.04Å; K290-E301 HydrophobicContact CB-CB 3.79Å; K290-E301 HydrophobicContact CB-CG 4.28Å; K290-E301 HydrophobicContact CD-CB 4.36Å; K290-E301 HydrophobicContact CD-CG 3.97Å; K290-E301 WeakPolarHBondContact CD-OE1 3.3Å; K290-E301 WeakPolarHBondContact CE-OE1 3.46Å; K290-E301 PolarHBondContact N-O 3.02Å; K290-E301 IonicContact NZ-OE1 2.68Å; K290-E301 PolarHBondContact NZ-OE1 2.98Å; K290-E301 PolarHBondContact O-N 3.39Å |
| 291 | V | 94.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 167.9 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | I183 V185 A288 P297 V298 | I183-V291 HydrophobicContact CB-CG1 3.95Å; I183-V291 HydrophobicContact CD1-CG1 4.18Å; I183-V291 HydrophobicContact CG2-CG1 3.61Å; V185-V291 HydrophobicContact CG2-CG1 4.41Å; V185-V291 HydrophobicContact CG2-CG2 3.76Å; A288-V291 HydrophobicContact CB-CG1 4.25Å; V291-P297 HydrophobicContact CB-CB 4.11Å; V291-P297 HydrophobicContact CG2-CB 4.25Å; V291-V298 CarbonylContact C-O 3.55Å; V291-V298 VanDerWaalsContact CA-O 3.22Å; V291-V298 WeakPolarHBondContact CA-O 3.41Å |
| 292 | T | 93.4 | Very high | 92.1 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | trans | -73.6 | 144.2 | 167.2 | 51.7 | 0 | 0 | 0 | 0 | 112 | T294 V298 L300 | T292-T294 WeakPolarHBondContact CB-OG1 3.39Å; T292-T294 PolarHBondContact O-N 2.99Å; T292-T294 PolarHBondContact OG1-OG1 2.94Å; T292-V298 HydrophobicContact CG2-CG2 3.55Å; T292-V298 PolarHBondContact N-O 3.03Å; T292-V298 WeakPolarHBondContact OG1-CG2 3.43Å; T292-V298 PolarHBondContact OG1-N 2.86Å; T292-L300 HydrophobicContact CG2-CD1 3.95Å; T292-L300 HydrophobicContact CG2-CD2 3.89Å; T292-L300 HydrophobicContact CG2-CG 4.03Å | ||
| 293 | S | 85.2 | Confident | 92.4 | Very high | 131 Ų | 131 | 45.6 Ų | 45.6 | 92% | 0.916 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -79.6 | 59.3 | 173.6 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 294 | T | 82.8 | Confident | 92.5 | Very high | 80 Ų | 80 | 46 Ų | 46 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -131 | 150.8 | -174.7 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | T292 S296 | T292-T294 WeakPolarHBondContact CB-OG1 3.39Å; T292-T294 PolarHBondContact O-N 2.99Å; T292-T294 PolarHBondContact OG1-OG1 2.94Å; T294-S296 CarbonylContact O-C 3.37Å; T294-S296 PolarHBondContact O-N 3.08Å; T294-S296 VanDerWaalsContact O-N 3.16Å; T294-S296 PolarHBondContact OG1-O 2.91Å |
| 295 | E | 80.7 | Confident | 92.4 | Very high | 207 Ų | 207 | 47.7 Ų | 47.7 | 97% | 0.967 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -54.4 | -36 | -179.4 | -61.8 | -177 | 151.9 | 0 | 0 | 113.1 | P297 | E295-P297 WeakPolarHBondContact O-CD 3.35Š|
| 296 | S | 85.6 | Confident | 92.1 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -100.5 | 99.5 | 160.8 | -68.6 | 0 | 0 | 0 | 0 | 108.9 | T294 | T294-S296 CarbonylContact O-C 3.37Å; T294-S296 PolarHBondContact O-N 3.08Å; T294-S296 VanDerWaalsContact O-N 3.16Å; T294-S296 PolarHBondContact OG1-O 2.91Å |
| 297 | P | 90.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | trans | -73.9 | 136.3 | 178.2 | 28.6 | -33.9 | 0 | 0 | 0 | 111 | I183 N234 V291 E295 | I183-P297 HydrophobicContact CB-CG 4.47Å; I183-P297 HydrophobicContact CD1-CB 4.21Å; I183-P297 HydrophobicContact CD1-CG 4.11Å; I183-P297 WeakPolarHBondContact CD1-O 3.33Å; I183-P297 HydrophobicContact CG1-CG 4.16Å; N234-P297 WeakPolarHBondContact CB-O 3.17Å; V291-P297 HydrophobicContact CB-CB 4.11Å; V291-P297 HydrophobicContact CG2-CB 4.25Å; E295-P297 WeakPolarHBondContact O-CD 3.35Å | ||
| 298 | V | 93.9 | Very high | 90.7 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | trans | -110.5 | 146.2 | 166.1 | -64 | 0 | 0 | 0 | 0 | 110.3 | K232 N234 V291 T292 | K232-V298 HydrophobicContact CB-CB 4.34Å; K232-V298 HydrophobicContact CB-CG2 4.34Å; N234-V298 HydrophobicContact CB-CG1 4.2Å; V291-V298 CarbonylContact C-O 3.55Å; V291-V298 VanDerWaalsContact CA-O 3.22Å; V291-V298 WeakPolarHBondContact CA-O 3.41Å; T292-V298 HydrophobicContact CG2-CG2 3.55Å; T292-V298 PolarHBondContact N-O 3.03Å; T292-V298 WeakPolarHBondContact OG1-CG2 3.43Å; T292-V298 PolarHBondContact OG1-N 2.86Å | ||
| 299 | V | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.7 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | I183 T229 K232 P233 A272 A288 E301 | I183-V299 HydrophobicContact CD1-CG2 3.94Å; T229-V299 HydrophobicContact CG2-CG1 3.72Å; K232-V299 WeakPolarHBondContact CA-O 3.38Å; P233-V299 HydrophobicContact CG-CB 4.36Å; P233-V299 HydrophobicContact CG-CG2 4.47Å; P233-V299 WeakPolarHBondContact O-CG2 3.47Å; P233-V299 PolarHBondContact O-N 3.43Å; A272-V299 HydrophobicContact CB-CG1 4.34Å; A272-V299 HydrophobicContact CB-CG2 4.15Å; A288-V299 HydrophobicContact CB-CB 4.41Å; A288-V299 HydrophobicContact CB-CG1 3.79Å; A288-V299 HydrophobicContact CB-CG2 3.82Å; V299-E301 WeakPolarHBondContact CG1-O 3.48Å |
| 300 | L | 93 | Very high | 88.2 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -39.6 | 175.2 | -63.9 | 179.4 | 0 | 0 | 0 | 111.9 | K232 K290 T292 | K232-L300 HydrophobicContact CD-CD2 4.25Å; K290-L300 HydrophobicContact CB-CB 4.32Å; K290-L300 HydrophobicContact CD-CB 4.39Å; K290-L300 HydrophobicContact CG-CB 4.21Å; K290-L300 HydrophobicContact CG-CD1 4.48Å; K290-L300 PolarHBondContact O-N 3.04Å; T292-L300 HydrophobicContact CG2-CD1 3.95Å; T292-L300 HydrophobicContact CG2-CD2 3.89Å; T292-L300 HydrophobicContact CG2-CG 4.03Å |
| 301 | E | 94.3 | Very high | 86.8 | Confident | 56 Ų | 56 | 67.1 Ų | 67.1 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.4 | 173.9 | -62.4 | 174.7 | -130.9 | 0 | 0 | 108.8 | K269 G289 K290 V299 | K269-E301 WeakPolarHBondContact CD-OE2 3.48Å; K269-E301 IonicContact NZ-OE2 3.73Å; K269-E301 PolarHBondContact NZ-OE2 2.87Å; G289-E301 PolarHBondContact N-O 3.34Å; K290-E301 HydrophobicContact CB-CB 3.79Å; K290-E301 HydrophobicContact CB-CG 4.28Å; K290-E301 HydrophobicContact CD-CB 4.36Å; K290-E301 HydrophobicContact CD-CG 3.97Å; K290-E301 WeakPolarHBondContact CD-OE1 3.3Å; K290-E301 WeakPolarHBondContact CE-OE1 3.46Å; K290-E301 PolarHBondContact N-O 3.02Å; K290-E301 IonicContact NZ-OE1 2.68Å; K290-E301 PolarHBondContact NZ-OE1 2.98Å; K290-E301 PolarHBondContact O-N 3.39Å; V299-E301 WeakPolarHBondContact CG1-O 3.48Å |
| 302 | G | 94.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -75.8 | -175.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K269 I271 G289 | K269-G302 VanDerWaalsContact O-CA 3.3Å; K269-G302 WeakPolarHBondContact O-CA 3.28Å; K269-G302 PolarHBondContact O-N 2.83Å; I271-G302 CarbonylContact O-C 3.46Å; I271-G302 WeakPolarHBondContact O-CA 3.28Å; G289-G302 WeakPolarHBondContact CA-O 3.42Å; G289-G302 VanDerWaalsContact N-C 3.29Å; G289-G302 PolarHBondContact N-O 2.83Å; G289-G302 VanDerWaalsContact N-O 3.16Å | ||
| 303 | L | 96 | Very high | 84.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -57.4 | 153.3 | 171 | -71.1 | 80.5 | 0 | 0 | 0 | 109.6 | V186 I189 L196 L260 V266 K269 I271 I273 F287 | V186-L303 HydrophobicContact CB-CG 4.45Å; V186-L303 HydrophobicContact CG1-CD2 4.44Å; I189-L303 HydrophobicContact CD1-CD2 4.22Å; L196-L303 HydrophobicContact CD1-CD2 4.3Å; L260-L303 HydrophobicContact CD1-CD2 4.04Å; V266-L303 HydrophobicContact CB-CB 4.03Å; V266-L303 HydrophobicContact CG1-CB 3.67Å; K269-L303 WeakPolarHBondContact CA-O 3.3Å; I271-L303 WeakPolarHBondContact O-CD1 3.42Å; I271-L303 PolarHBondContact O-N 2.93Å; I273-L303 HydrophobicContact CB-CD1 4.46Å; I273-L303 HydrophobicContact CD1-CD1 4.42Å; I273-L303 HydrophobicContact CD1-CD2 4.04Å; I273-L303 HydrophobicContact CG1-CD1 4.05Å; F287-L303 HydrophobicContact CB-CD1 4.33Å; F287-L303 VanDerWaalsContact O-CD1 3.3Å; F287-L303 WeakPolarHBondContact O-CD1 3.06Å | ||
| 304 | S | 94.6 | Very high | 84.1 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | trans | -150.9 | 167 | -173.5 | 69.7 | 0 | 0 | 0 | 0 | 112.4 | P188 I189 | P188-S304 CarbonylContact C-O 3.58Å; P188-S304 WeakPolarHBondContact CA-O 3.26Å; I189-S304 PolarHBondContact N-O 3.22Å | ||
| 305 | I | 91.6 | Very high | 84.3 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 23% | 0.226 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -100.7 | 136.6 | -179.2 | -51.8 | 173.8 | 0 | 0 | 0 | 110.5 | I189 A263 V266 E267 K307 | I189-I305 CarbonylContact O-C 3.57Å; I189-I305 WeakPolarHBondContact O-CA 3.03Å; I189-I305 WeakPolarHBondContact O-CG2 3.22Å; A263-I305 HydrophobicContact CB-CD1 4.06Å; V266-I305 HydrophobicContact CG2-CG1 3.95Å; E267-I305 HydrophobicContact CB-CD1 3.8Å; E267-I305 HydrophobicContact CG-CD1 4.23Å; I305-K307 HydrophobicContact CB-CG 4.43Å; I305-K307 HydrophobicContact CG2-CG 4.33Å; I305-K307 PolarHBondContact O-N 2.9Å; I305-K307 VanDerWaalsContact O-N 3.11Å |
| 306 | D | 89.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.134 | 34% | 0.335 | C | S | . | . | trans | -75.9 | 87.9 | 165.7 | -173 | -11.1 | 0 | 0 | 0 | 110 | P188 I189 T308 K309 | P188-D306 HydrophobicContact CB-CB 3.9Å; I189-D306 PolarHBondContact O-N 2.87Å; D306-T308 PolarHBondContact O-N 2.95Å; D306-T308 WeakPolarHBondContact OD1-CA 3.45Å; D306-T308 WeakPolarHBondContact OD1-CB 3.35Å; D306-T308 PolarHBondContact OD1-N 2.9Å; D306-T308 PolarHBondContact OD1-OG1 3.42Å; D306-K309 PolarHBondContact O-N 3.4Å; D306-K309 PolarHBondContact OD1-N 3.44Å; D306-K309 WeakPolarHBondContact OD2-CD 3.23Å; D306-K309 VanDerWaalsContact OD2-CE 3.27Å; D306-K309 WeakPolarHBondContact OD2-CE 3.24Å; D306-K309 WeakPolarHBondContact OD2-CG 3.14Å; D306-K309 IonicContact OD2-NZ 2.67Å; D306-K309 PolarHBondContact OD2-NZ 2.91Å | ||
| 307 | K | 83 | Confident | 85.1 | Confident | 152 Ų | 152 | 61.9 Ų | 61.9 | 66% | 0.661 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 4.4 | 177.3 | -62.7 | -165.3 | 171.3 | -166.3 | 0 | 114.3 | E267 I305 | E267-K307 WeakPolarHBondContact OE1-CE 3.27Å; E267-K307 IonicContact OE1-NZ 3.76Å; E267-K307 PolarHBondContact OE1-NZ 2.92Å; I305-K307 HydrophobicContact CB-CG 4.43Å; I305-K307 HydrophobicContact CG2-CG 4.33Å; I305-K307 PolarHBondContact O-N 2.9Å; I305-K307 VanDerWaalsContact O-N 3.11Å |
| 308 | T | 80.1 | Confident | 85.2 | Confident | 131 Ų | 131 | 62.5 Ų | 62.5 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -14.5 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | D306 | D306-T308 PolarHBondContact O-N 2.95Å; D306-T308 WeakPolarHBondContact OD1-CA 3.45Å; D306-T308 WeakPolarHBondContact OD1-CB 3.35Å; D306-T308 PolarHBondContact OD1-N 2.9Å; D306-T308 PolarHBondContact OD1-OG1 3.42Å |
| 309 | K | 72.9 | Confident | 85.1 | Confident | 124 Ų | 124 | 61.7 Ų | 61.7 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | trans | -105.9 | 121.9 | 173.2 | -70.4 | 178.8 | -168.4 | 152 | 0 | 110.9 | D306 | D306-K309 PolarHBondContact O-N 3.4Å; D306-K309 PolarHBondContact OD1-N 3.44Å; D306-K309 WeakPolarHBondContact OD2-CD 3.23Å; D306-K309 VanDerWaalsContact OD2-CE 3.27Å; D306-K309 WeakPolarHBondContact OD2-CE 3.24Å; D306-K309 WeakPolarHBondContact OD2-CG 3.14Å; D306-K309 IonicContact OD2-NZ 2.67Å; D306-K309 PolarHBondContact OD2-NZ 2.91Å | ||
| 310 | N | 65.6 | Low | 84.8 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 63% | 0.626 | 33% | 0.331 | S | S | * | . | trans | -68.2 | 161.7 | 157.3 | -72.7 | -19.8 | 0 | 0 | 0 | 109.9 | S312 Q347 | N310-S312 PolarHBondContact O-N 2.9Å; N310-Q347 PolarHBondContact OD1-NE2 3.01Å | ||
| 311 | S | 66.1 | Low | 84.6 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | trans | -51.4 | 132 | 173.5 | -173.1 | 0 | 0 | 0 | 0 | 110.4 | S313 Q345 | S311-S313 VanDerWaalsContact C-N 3.28Å; S311-S313 PolarHBondContact OG-N 2.92Å; S311-Q345 PolarHBondContact OG-O 3.01Å | ||
| 312 | S | 66.5 | Low | 84.6 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | trans | -82.5 | -12.8 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | E191 N310 T314 | E191-S312 WeakPolarHBondContact OE1-CA 3.22Å; E191-S312 WeakPolarHBondContact OE1-CB 3.27Å; E191-S312 PolarHBondContact OE1-N 3.25Å; E191-S312 PolarHBondContact OE1-OG 2.95Å; N310-S312 PolarHBondContact O-N 2.9Å; S312-T314 PolarHBondContact O-N 2.69Å | ||
| 313 | S | 70 | Confident | 84.6 | Confident | 18 Ų | 18 | 67 Ų | 67 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | trans | -70 | 110.8 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | E191 S311 P346 | E191-S313 PolarHBondContact OE1-N 2.88Å; E191-S313 PolarHBondContact OE1-OG 3.3Å; S311-S313 VanDerWaalsContact C-N 3.28Å; S311-S313 PolarHBondContact OG-N 2.92Å; S313-P346 WeakPolarHBondContact O-CA 3.25Å; S313-P346 WeakPolarHBondContact O-CB 3.42Å; S313-P346 WeakPolarHBondContact O-CG 3.38Å | ||
| 314 | T | 80.3 | Confident | 84.3 | Confident | 132 Ų | 132 | 67.4 Ų | 67.4 | 81% | 0.81 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -90.5 | -10.7 | 177.6 | 53 | 0 | 0 | 0 | 0 | 114 | S312 | S312-T314 PolarHBondContact O-N 2.69Š|
| 315 | K | 87.1 | Confident | 84.1 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -144 | 168.8 | 172.8 | -81.5 | -169.2 | 171.1 | -84 | 0 | 109.2 | D394 S396 D397 | K315-D394 IonicContact NZ-OD2 3.49Å; K315-D394 PolarHBondContact NZ-OD2 2.97Å; K315-S396 PolarHBondContact NZ-OG 3.02Å; K315-D397 VanDerWaalsContact CB-OD1 3.29Å; K315-D397 WeakPolarHBondContact CB-OD1 3.23Å |
| 316 | L | 91.5 | Very high | 84 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | trans | -59 | 135.7 | 170.4 | -71.2 | 167.7 | 0 | 0 | 0 | 110.8 | Y343 Q345 Y350 V389 D397 L399 | L316-Y343 HydrophobicContact CD2-CD2 3.99Å; L316-Y343 HydrophobicContact CD2-CE2 4.22Å; L316-Q345 HydrophobicContact CD2-CB 3.73Å; L316-Y350 HydrophobicContact CD1-CD1 3.96Å; L316-Y350 HydrophobicContact CD1-CE1 3.9Å; L316-Y350 HydrophobicContact CD2-CD1 3.77Å; L316-Y350 HydrophobicContact CD2-CE1 3.83Å; L316-Y350 HydrophobicContact CG-CD1 3.96Å; L316-Y350 HydrophobicContact CG-CE1 3.63Å; L316-V389 HydrophobicContact CD1-CB 4.32Å; L316-V389 HydrophobicContact CD1-CG1 3.94Å; L316-V389 HydrophobicContact CD2-CG1 3.92Å; L316-D397 WeakPolarHBondContact CD1-O 3.4Å; L316-D397 PolarHBondContact N-OD1 2.9Å; L316-D397 PolarHBondContact N-OD2 2.93Å; L316-D397 VanDerWaalsContact N-OD2 3.09Å; L316-L399 HydrophobicContact CB-CD1 3.81Å; L316-L399 HydrophobicContact CB-CD2 4.45Å; L316-L399 HydrophobicContact CB-CG 3.73Å; L316-L399 HydrophobicContact CD1-CG 4.31Å | ||
| 317 | Y | 91.1 | Very high | 84 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 120.6 | -178.5 | -179.5 | -99.2 | 0 | 0 | 0 | 111.6 | L319 Y343 R344 | Y317-L319 HydrophobicContact CD1-CD2 3.97Å; Y317-L319 HydrophobicContact CE1-CD2 3.92Å; Y317-Y343 CarbonylContact O-C 3.54Å; Y317-Y343 WeakPolarHBondContact O-CA 3.43Å; Y317-Y343 WeakPolarHBondContact O-CB 3.34Å; Y317-R344 PolarHBondContact N-O 2.94Å; Y317-R344 VanDerWaalsContact N-O 3.08Å; Y317-R344 PolarHBondContact O-N 2.67Å |
| 318 | P | 93.6 | Very high | 84.3 | Confident | 35 Ų | 35 | 60 Ų | 60 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 137.6 | -179 | 30.9 | -33.4 | 0 | 0 | 0 | 112 | L322 L399 F401 | P318-L322 HydrophobicContact CB-CD2 3.82Å; P318-L322 HydrophobicContact CB-CG 4.41Å; P318-L322 HydrophobicContact CG-CD2 4.17Å; P318-L322 HydrophobicContact CG-CG 4.41Å; P318-L399 HydrophobicContact CB-CD1 4.18Å; P318-L399 HydrophobicContact CG-CD2 4.36Å; P318-F401 HydrophobicContact CB-CE1 4.07Å; P318-F401 HydrophobicContact CB-CZ 3.89Å |
| 319 | L | 90.7 | Very high | 84.7 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -104.5 | -10.6 | 173.1 | -59 | 176.2 | 0 | 0 | 0 | 112.5 | P193 Y317 L342 R344 P927 | P193-L319 HydrophobicContact CB-CD1 4.24Å; P193-L319 HydrophobicContact CG-CD1 4.27Å; Y317-L319 HydrophobicContact CD1-CD2 3.97Å; Y317-L319 HydrophobicContact CE1-CD2 3.92Å; L319-L342 HydrophobicContact CB-CB 3.81Å; L319-L342 HydrophobicContact CD1-CB 4.37Å; L319-L342 PolarHBondContact N-O 3.11Å; L319-R344 HydrophobicContact CD1-CG 3.99Å; L319-R344 HydrophobicContact CD2-CG 4.33Å; L319-R344 HydrophobicContact CG-CG 4.32Å; L319-P927 WeakPolarHBondContact O-CG 3.48Å |
| 320 | T | 88.2 | Confident | 85.5 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -122.3 | 167.1 | 171.6 | 48 | 0 | 0 | 0 | 0 | 110.4 | L342 F401 | T320-L342 HydrophobicContact CG2-CB 4.02Å; T320-L342 HydrophobicContact CG2-CD1 4.35Å; T320-L342 HydrophobicContact CG2-CG 4.33Å; T320-L342 PolarHBondContact N-O 3.14Å; T320-L342 PolarHBondContact OG1-N 2.99Å; T320-L342 PolarHBondContact OG1-O 3.22Å; T320-F401 WeakPolarHBondContact OG1-CE1 3.25Å |
| 321 | T | 89.1 | Confident | 86.4 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | trans | -58 | 142.1 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | S323 S324 F401 | T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact OG1-O 3.26Å; T321-S324 PolarHBondContact OG1-OG 3.35Å; T321-F401 WeakPolarHBondContact O-CD1 3.47Å | ||
| 322 | L | 94.8 | Very high | 87.3 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.3 | -11.9 | 175.4 | -65.3 | 178.8 | 0 | 0 | 0 | 113.1 | P318 L399 F401 T402 | P318-L322 HydrophobicContact CB-CD2 3.82Å; P318-L322 HydrophobicContact CB-CG 4.41Å; P318-L322 HydrophobicContact CG-CD2 4.17Å; P318-L322 HydrophobicContact CG-CG 4.41Å; L322-L399 HydrophobicContact CD2-CD2 4.39Å; L322-F401 HydrophobicContact CD2-CD1 3.91Å; L322-F401 HydrophobicContact CD2-CD2 4.46Å; L322-F401 HydrophobicContact CD2-CE1 3.74Å; L322-F401 HydrophobicContact CD2-CE2 4.32Å; L322-F401 HydrophobicContact CD2-CG 4.26Å; L322-F401 HydrophobicContact CD2-CZ 3.95Å; L322-F401 CarbonylContact O-C 3.55Å; L322-F401 WeakPolarHBondContact O-CA 3.35Å; L322-T402 PolarHBondContact O-N 3.02Å |
| 323 | S | 94.5 | Very high | 88.1 | Confident | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.7 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | T321 T402 | T321-S323 VanDerWaalsContact C-N 3.28Å; T321-S323 PolarHBondContact OG1-O 3.26Å; S323-T402 WeakPolarHBondContact CA-O 3.06Å |
| 324 | S | 90.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 157.3 | 173 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | T321 T402 Y403 D404 | T321-S324 PolarHBondContact OG1-OG 3.35Å; S324-T402 PolarHBondContact N-O 3.24Å; S324-Y403 WeakPolarHBondContact O-CA 3.25Å; S324-D404 PolarHBondContact O-N 3.22Å |
| 325 | S | 90.2 | Very high | 88 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.2 | 174 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | D404 | S325-D404 CarbonylContact C-O 3.48Å; S325-D404 VanDerWaalsContact CA-O 3.29Å; S325-D404 WeakPolarHBondContact CA-O 3.47Å; S325-D404 WeakPolarHBondContact CB-OD2 3.13Å; S325-D404 PolarHBondContact OG-OD2 3.08Å |
| 326 | Y | 89.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 46 Ų | 46 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 105.7 | -175.4 | -65.7 | -64.7 | 0 | 0 | 0 | 110.5 | H213 F337 L339 Y403 D404 V405 K406 | H213-Y326 HydrophobicContact CB-CD1 4.3Å; H213-Y326 HydrophobicContact CB-CE1 4.32Å; H213-Y326 AromaticContact CD2-CD1 3.68Å; H213-Y326 AromaticContact CG-CD1 3.78Å; H213-Y326 AromaticContact NE2-CD1 3.97Å; Y326-F337 HydrophobicContact CD1-CZ 4.46Å; Y326-F337 HydrophobicContact CE1-CZ 4.43Å; Y326-L339 HydrophobicContact CD2-CD2 3.69Å; Y326-L339 HydrophobicContact CE2-CD2 3.5Å; Y326-L339 VanDerWaalsContact CE2-CD2 3.5Å; Y326-Y403 AromaticContact CE2-CD1 3.75Å; Y326-Y403 HydrophobicContact CE2-CD1 3.75Å; Y326-Y403 HydrophobicContact CE2-CG 4.49Å; Y326-D404 PolarHBondContact N-O 3.01Å; Y326-V405 HydrophobicContact CD2-CG2 4.37Å; Y326-K406 PolarHBondContact O-N 3.1Å |
| 327 | V | 89.4 | Confident | 86.9 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123 | 167.6 | -179 | 0 | 0 | 0 | 0 | 109.1 | Y210 H213 Q214 K406 V408 Y516 | Y210-V327 HydrophobicContact CE2-CB 4.34Å; Y210-V327 HydrophobicContact CE2-CG1 4.5Å; H213-V327 PolarHBondContact CE1-O 3.26Å; H213-V327 PolarHBondContact NE2-O 3.21Å; Q214-V327 PolarHBondContact NE2-O 3.41Å; V327-K406 CarbonylContact C-O 3.5Å; V327-K406 WeakPolarHBondContact CA-O 3.15Å; V327-V408 HydrophobicContact CG1-CB 4.42Å; V327-V408 HydrophobicContact CG1-CG1 4.01Å; V327-V408 HydrophobicContact CG1-CG2 3.48Å; V327-V408 VanDerWaalsContact CG1-CG2 3.48Å; V327-Y516 HydrophobicContact CG1-CD1 4.35Å; V327-Y516 HydrophobicContact CG1-CE1 4.03Å |
| 328 | I | 89.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.1 | -179 | -50 | -179.8 | 0 | 0 | 0 | 109.6 | L334 L373 I377 V405 K406 V407 V408 | I328-L334 HydrophobicContact CD1-CD1 4.4Å; I328-L373 HydrophobicContact CD1-CD1 3.96Å; I328-I377 HydrophobicContact CG2-CB 4.43Å; I328-I377 HydrophobicContact CG2-CG1 4.12Å; I328-I377 HydrophobicContact CG2-CG2 3.98Å; I328-V405 HydrophobicContact CD1-CG1 4.13Å; I328-K406 PolarHBondContact N-O 3.07Å; I328-V407 CarbonylContact O-C 3.49Å; I328-V407 WeakPolarHBondContact O-CA 3.4Å; I328-V408 PolarHBondContact O-N 2.85Å |
| 329 | N | 88.5 | Confident | 86.4 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 134 | -179.8 | -66.6 | -25.8 | 0 | 0 | 0 | 111.1 | L34 I55 Y57 R166 G331 T332 V408 | L34-N329 HydrophobicContact CD1-CB 3.8Å; L34-N329 HydrophobicContact CD2-CB 3.93Å; I55-N329 VanDerWaalsContact CD1-ND2 3.3Å; I55-N329 WeakPolarHBondContact CD1-ND2 3.38Å; Y57-N329 PolarHBondContact OH-ND2 3.33Å; R166-N329 PolarHBondContact NH1-ND2 3.32Å; N329-G331 PolarHBondContact O-N 3.38Å; N329-T332 VanDerWaalsContact O-CB 3.26Å; N329-T332 WeakPolarHBondContact O-CB 2.97Å; N329-T332 PolarHBondContact O-N 3.05Å; N329-T332 PolarHBondContact O-OG1 3.49Å; N329-V408 CarbonylContact C-O 3.56Å; N329-V408 WeakPolarHBondContact CA-O 3.29Å |
| 330 | K | 89.2 | Confident | 86.3 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.7 | 172.6 | -175.6 | 179.8 | 176.3 | -179.7 | 0 | 110.3 | L34 E379 V407 V408 | L34-K330 WeakPolarHBondContact CD1-O 3.27Å; K330-E379 HydrophobicContact CD-CG 4.05Å; K330-E379 WeakPolarHBondContact CE-OE1 3.38Å; K330-E379 IonicContact NZ-OE1 2.75Å; K330-E379 PolarHBondContact NZ-OE1 3.05Å; K330-V407 HydrophobicContact CB-CG1 4Å; K330-V408 WeakPolarHBondContact CB-O 3.37Å; K330-V408 PolarHBondContact N-O 2.93Å |
| 331 | G | 85.7 | Confident | 86.4 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 32% | 0.32 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N329 K333 I377 | N329-G331 PolarHBondContact O-N 3.38Å; G331-K333 PolarHBondContact O-N 2.99Å; G331-I377 PolarHBondContact N-O 2.62Å |
| 332 | T | 84.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | trans | -60.1 | 126.3 | 175 | -59.4 | 0 | 0 | 0 | 0 | 110 | L34 F36 N329 L334 I377 | L34-T332 WeakPolarHBondContact CD1-OG1 3.05Å; F36-T332 HydrophobicContact CZ-CG2 4.41Å; N329-T332 VanDerWaalsContact O-CB 3.26Å; N329-T332 WeakPolarHBondContact O-CB 2.97Å; N329-T332 PolarHBondContact O-N 3.05Å; N329-T332 PolarHBondContact O-OG1 3.49Å; T332-L334 HydrophobicContact CG2-CD2 3.6Å; T332-L334 HydrophobicContact CG2-CG 3.99Å; T332-L334 PolarHBondContact O-N 3.13Å; T332-I377 PolarHBondContact O-N 2.85Å; T332-I377 VanDerWaalsContact O-N 3.15Å | ||
| 333 | K | 82.3 | Confident | 86.5 | Confident | 130 Ų | 130 | 34.7 Ų | 34.7 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | B | Isolated β-bridge | trans | -86.7 | 78 | 173.9 | -62.6 | 167.6 | -168 | 160.5 | 0 | 108.7 | E32 G331 S375 | E32-K333 IonicContact OE1-NZ 2.71Å; E32-K333 PolarHBondContact OE1-NZ 2.82Å; E32-K333 IonicContact OE2-NZ 3.33Å; G331-K333 PolarHBondContact O-N 2.99Å; K333-S375 CarbonylContact C-O 3.52Å; K333-S375 WeakPolarHBondContact CA-O 3.3Å |
| 334 | L | 78 | Confident | 86.3 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | trans | -68.1 | 155.6 | 169.1 | -62 | -175.9 | 0 | 0 | 0 | 109.7 | I328 T332 F337 S375 I377 | I328-L334 HydrophobicContact CD1-CD1 4.4Å; T332-L334 HydrophobicContact CG2-CD2 3.6Å; T332-L334 HydrophobicContact CG2-CG 3.99Å; T332-L334 PolarHBondContact O-N 3.13Å; L334-F337 HydrophobicContact CB-CB 4.14Å; L334-F337 HydrophobicContact CD1-CB 3.81Å; L334-F337 HydrophobicContact CD1-CD1 3.98Å; L334-F337 HydrophobicContact CD1-CG 3.89Å; L334-F337 HydrophobicContact CD2-CB 4.33Å; L334-F337 HydrophobicContact CG-CB 4.32Å; L334-S375 PolarHBondContact N-O 2.88Å; L334-S375 CarbonylContact O-C 3.58Å; L334-S375 WeakPolarHBondContact O-CA 3.17Å; L334-S375 WeakPolarHBondContact O-CB 3.11Å; L334-I377 HydrophobicContact CD1-CD1 3.71Å; L334-I377 HydrophobicContact CD1-CG1 3.7Å; L334-I377 HydrophobicContact CG-CD1 4.37Å; L334-I377 HydrophobicContact CG-CG1 3.87Å | ||
| 335 | Q | 71.1 | Confident | 86.2 | Confident | 95 Ų | 95 | 36.4 Ų | 36.4 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | trans | -148.4 | 129.3 | 165.1 | 157 | -176 | 6.8 | 0 | 0 | 106.3 | R218 F337 | R218-Q335 VanDerWaalsContact CZ-CD 3.5Å; R218-Q335 VanDerWaalsContact NH2-CB 3.29Å; R218-Q335 PolarHBondContact NH2-O 3.11Å; Q335-F337 PolarHBondContact O-N 3.13Å; Q335-F337 VanDerWaalsContact O-N 3.09Å | ||
| 336 | D | 71.6 | Confident | 85.9 | Confident | 93 Ų | 93 | 35.2 Ų | 35.2 | 50% | 0.497 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 59.7 | 14.5 | 178.8 | -48.9 | -43.6 | 0 | 0 | 0 | 115.7 | M338 | D336-M338 PolarHBondContact O-N 2.04Š|
| 337 | F | 82.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 41 Ų | 41 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -64.7 | 126.9 | 173.2 | 179.7 | -88.1 | 0 | 0 | 0 | 111.2 | H213 Y326 L334 Q335 L339 T372 L373 | H213-F337 VanDerWaalsContact O-CE2 3.3Å; H213-F337 WeakPolarHBondContact O-CE2 3.06Å; Y326-F337 HydrophobicContact CD1-CZ 4.46Å; Y326-F337 HydrophobicContact CE1-CZ 4.43Å; L334-F337 HydrophobicContact CB-CB 4.14Å; L334-F337 HydrophobicContact CD1-CB 3.81Å; L334-F337 HydrophobicContact CD1-CD1 3.98Å; L334-F337 HydrophobicContact CD1-CG 3.89Å; L334-F337 HydrophobicContact CD2-CB 4.33Å; L334-F337 HydrophobicContact CG-CB 4.32Å; Q335-F337 PolarHBondContact O-N 3.13Å; Q335-F337 VanDerWaalsContact O-N 3.09Å; F337-L339 HydrophobicContact CE1-CD2 4.19Å; F337-T372 WeakPolarHBondContact O-CA 3.34Å; F337-T372 WeakPolarHBondContact O-CG2 3.37Å; F337-L373 HydrophobicContact CD1-CB 4.16Å; F337-L373 HydrophobicContact CD1-CD1 3.7Å; F337-L373 HydrophobicContact CD1-CG 3.9Å; F337-L373 HydrophobicContact CE1-CD1 3.64Å; F337-L373 HydrophobicContact CE1-CG 4.15Å; F337-L373 PolarHBondContact O-N 3.5Å | ||
| 338 | M | 84.7 | Confident | 84.8 | Confident | 56 Ų | 56 | 41.7 Ų | 41.7 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132 | -175.8 | -76.8 | 178 | -86.1 | 0 | 0 | 112.1 | D336 R340 Y371 T372 | D336-M338 PolarHBondContact O-N 2.04Å; M338-R340 HydrophobicContact CB-CG 4.11Å; M338-Y371 CarbonylContact C-O 3.54Å; M338-Y371 WeakPolarHBondContact CA-O 3.47Å; M338-T372 HydrophobicContact CG-CG2 4.19Å; M338-T372 WeakPolarHBondContact CG-OG1 3.42Å |
| 339 | L | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 139.4 | 154 | -51.8 | 178.7 | 0 | 0 | 0 | 107.8 | Y326 F337 W354 S370 Y371 L373 Y385 Y403 V405 | Y326-L339 HydrophobicContact CD2-CD2 3.69Å; Y326-L339 HydrophobicContact CE2-CD2 3.5Å; Y326-L339 VanDerWaalsContact CE2-CD2 3.5Å; F337-L339 HydrophobicContact CE1-CD2 4.19Å; L339-W354 HydrophobicContact CB-CH2 3.98Å; L339-W354 HydrophobicContact CB-CZ3 4.13Å; L339-W354 HydrophobicContact CD1-CZ3 4.15Å; L339-S370 CarbonylContact O-C 3.41Å; L339-S370 WeakPolarHBondContact O-CA 3.16Å; L339-S370 WeakPolarHBondContact O-CB 3.41Å; L339-Y371 HydrophobicContact CD1-CD1 4.22Å; L339-Y371 PolarHBondContact N-O 2.88Å; L339-Y371 PolarHBondContact O-N 3.41Å; L339-L373 HydrophobicContact CD1-CD2 4.19Å; L339-L373 HydrophobicContact CG-CD2 4.28Å; L339-L373 HydrophobicContact CG-CG 4.45Å; L339-Y385 HydrophobicContact CD1-CD1 3.97Å; L339-Y385 HydrophobicContact CD1-CD2 4.28Å; L339-Y385 HydrophobicContact CD1-CG 3.7Å; L339-Y403 HydrophobicContact CB-CD1 4.46Å; L339-Y403 HydrophobicContact CB-CD2 4.29Å; L339-Y403 HydrophobicContact CB-CE1 4.45Å; L339-Y403 HydrophobicContact CB-CE2 4.31Å; L339-Y403 HydrophobicContact CB-CG 4.37Å; L339-Y403 HydrophobicContact CD1-CD2 4.08Å; L339-Y403 HydrophobicContact CD1-CG 4.16Å; L339-Y403 HydrophobicContact CD2-CD1 4.31Å; L339-Y403 HydrophobicContact CD2-CG 4.19Å; L339-Y403 HydrophobicContact CG-CG 4.48Å; L339-V405 HydrophobicContact CD2-CG2 4.13Å |
| 340 | R | 88.3 | Confident | 84.8 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 119.4 | -170.8 | -69.6 | 171 | -171.8 | 168.2 | -0.3 | 112.7 | V251 E252 M338 Y369 Y403 | V251-R340 HydrophobicContact CG1-CG 4.35Å; E252-R340 PolarHBondContact O-NH1 3.08Å; M338-R340 HydrophobicContact CB-CG 4.11Å; R340-Y369 WeakPolarHBondContact CA-O 3.5Å; R340-Y403 PolarHBondContact O-OH 2.87Å |
| 341 | A | 91.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -115.9 | 114.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y369 L387 F401 Y403 | A341-Y369 PolarHBondContact N-O 2.73Å; A341-Y369 VanDerWaalsContact O-CA 3.24Å; A341-Y369 WeakPolarHBondContact O-CA 3.28Å; A341-Y369 WeakPolarHBondContact O-CB 3.49Å; A341-Y369 WeakPolarHBondContact O-CD1 3.44Å; A341-L387 HydrophobicContact CB-CD2 3.53Å; A341-F401 HydrophobicContact CB-CB 4.14Å; A341-F401 HydrophobicContact CB-CD1 3.77Å; A341-F401 HydrophobicContact CB-CD2 3.73Å; A341-F401 HydrophobicContact CB-CE1 4.07Å; A341-F401 HydrophobicContact CB-CE2 4.02Å; A341-F401 HydrophobicContact CB-CG 3.61Å; A341-F401 HydrophobicContact CB-CZ 4.19Å; A341-Y403 WeakPolarHBondContact CA-OH 3.08Å; A341-Y403 WeakPolarHBondContact CB-OH 3.31Å; A341-Y403 PolarHBondContact N-OH 3.35Å | ||
| 342 | L | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -105.7 | 138.1 | 170.3 | -66.5 | 172.2 | 0 | 0 | 0 | 109.9 | P193 V251 F253 Y259 T261 L319 T320 Y369 | P193-L342 HydrophobicContact CB-CD2 4.39Å; P193-L342 HydrophobicContact CG-CD2 4.16Å; V251-L342 HydrophobicContact CB-CD2 4.46Å; V251-L342 HydrophobicContact CG2-CD2 4.25Å; F253-L342 HydrophobicContact CE2-CD1 3.73Å; F253-L342 HydrophobicContact CZ-CD1 3.74Å; Y259-L342 HydrophobicContact CD1-CD1 3.76Å; Y259-L342 HydrophobicContact CD2-CD1 3.52Å; Y259-L342 HydrophobicContact CE1-CD1 4.07Å; Y259-L342 HydrophobicContact CE2-CD1 3.91Å; Y259-L342 HydrophobicContact CG-CD1 3.46Å; Y259-L342 VanDerWaalsContact CG-CD1 3.46Å; T261-L342 HydrophobicContact CG2-CD2 4.32Å; L319-L342 HydrophobicContact CB-CB 3.81Å; L319-L342 HydrophobicContact CD1-CB 4.37Å; L319-L342 PolarHBondContact N-O 3.11Å; T320-L342 HydrophobicContact CG2-CB 4.02Å; T320-L342 HydrophobicContact CG2-CD1 4.35Å; T320-L342 HydrophobicContact CG2-CG 4.33Å; T320-L342 PolarHBondContact N-O 3.14Å; T320-L342 PolarHBondContact OG1-N 2.99Å; T320-L342 PolarHBondContact OG1-O 3.22Å; L342-Y369 HydrophobicContact CD2-CD1 4.31Å; L342-Y369 HydrophobicContact CD2-CG 4.22Å | ||
| 343 | Y | 92.8 | Very high | 85.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 155.9 | 177.8 | 56.7 | -84.1 | 0 | 0 | 0 | 110.1 | P193 L316 Y317 K368 Y369 L387 V389 L399 F401 | P193-Y343 WeakPolarHBondContact CD-O 3.35Å; L316-Y343 HydrophobicContact CD2-CD2 3.99Å; L316-Y343 HydrophobicContact CD2-CE2 4.22Å; Y317-Y343 CarbonylContact O-C 3.54Å; Y317-Y343 WeakPolarHBondContact O-CA 3.43Å; Y317-Y343 WeakPolarHBondContact O-CB 3.34Å; Y343-K368 WeakPolarHBondContact CE1-O 3.01Å; Y343-K368 VanDerWaalsContact OH-CE 3.26Å; Y343-K368 WeakPolarHBondContact OH-CE 3.5Å; Y343-K368 WeakPolarHBondContact OH-CG 3.31Å; Y343-K368 PolarHBondContact OH-O 3.1Å; Y343-Y369 HydrophobicContact CD1-CD1 4.08Å; Y343-Y369 HydrophobicContact CD1-CE1 4.19Å; Y343-Y369 AromaticContact CE1-CD1 3.73Å; Y343-Y369 HydrophobicContact CE1-CD1 3.73Å; Y343-Y369 AromaticContact CE1-CE1 3.89Å; Y343-Y369 HydrophobicContact CE1-CE1 3.89Å; Y343-Y369 HydrophobicContact CE2-CE1 4.42Å; Y343-L387 HydrophobicContact CE1-CD2 4.26Å; Y343-V389 HydrophobicContact CD1-CG2 4.35Å; Y343-V389 HydrophobicContact CD2-CG1 4.37Å; Y343-V389 HydrophobicContact CE1-CG2 3.71Å; Y343-V389 HydrophobicContact CE2-CB 4.43Å; Y343-V389 HydrophobicContact CE2-CG1 3.61Å; Y343-V389 HydrophobicContact CE2-CG2 4.15Å; Y343-L399 HydrophobicContact CG-CD1 4.37Å; Y343-F401 AromaticContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CZ 4.2Å; Y343-F401 HydrophobicContact CG-CE2 4.44Å |
| 344 | R | 90.6 | Very high | 86.2 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 153.1 | 164.3 | -60.8 | -170.2 | -173.8 | 140.7 | 16.5 | 109.7 | E191 Y317 L319 | E191-R344 WeakPolarHBondContact OE2-CD 3.5Å; E191-R344 IonicContact OE2-CZ 2.7Å; E191-R344 IonicContact OE2-NE 3.15Å; E191-R344 PolarHBondContact OE2-NE 3.15Å; E191-R344 IonicContact OE2-NH1 2.91Å; E191-R344 PolarHBondContact OE2-NH1 3.26Å; Y317-R344 PolarHBondContact N-O 2.94Å; Y317-R344 VanDerWaalsContact N-O 3.08Å; Y317-R344 PolarHBondContact O-N 2.67Å; L319-R344 HydrophobicContact CD1-CG 3.99Å; L319-R344 HydrophobicContact CD2-CG 4.33Å; L319-R344 HydrophobicContact CG-CG 4.32Å |
| 345 | Q | 87.4 | Confident | 87.1 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | trans | -126.9 | 153.7 | 171.9 | 64.9 | 173.8 | 82.2 | 0 | 0 | 111 | S311 L316 Y350 K368 | S311-Q345 PolarHBondContact OG-O 3.01Å; L316-Q345 HydrophobicContact CD2-CB 3.73Å; Q345-Y350 HydrophobicContact CB-CD2 4.39Å; Q345-K368 VanDerWaalsContact OE1-CE 3.22Å | ||
| 346 | P | 83.9 | Confident | 88.2 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -62 | 173.1 | 162.4 | -22.8 | 35.5 | 0 | 0 | 0 | 113 | S313 Y350 | S313-P346 WeakPolarHBondContact O-CA 3.25Å; S313-P346 WeakPolarHBondContact O-CB 3.42Å; S313-P346 WeakPolarHBondContact O-CG 3.38Å; P346-Y350 HydrophobicContact CB-CE2 4.3Å; P346-Y350 WeakPolarHBondContact CD-OH 3.21Å; P346-Y350 HydrophobicContact CG-CE2 4.49Å; P346-Y350 VanDerWaalsContact CG-OH 3.31Å; P346-Y350 WeakPolarHBondContact CG-OH 3.23Å | ||
| 347 | Q | 78.1 | Confident | 89.3 | Confident | 136 Ų | 136 | 43.7 Ų | 43.7 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71.5 | 133.3 | 159.3 | -70.5 | 175.4 | -11.5 | 0 | 0 | 108.8 | N310 | N310-Q347 PolarHBondContact OD1-NE2 3.01Š|
| 348 | G | 78.5 | Confident | 89.6 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 144.8 | 174.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y350 | G348-Y350 WeakPolarHBondContact O-CD2 3.35Š|
| 349 | D | 86.2 | Confident | 90 | Very high | 114 Ų | 114 | 56.3 Ų | 56.3 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | trans | -85.4 | 123 | 177.1 | -77.7 | -17.2 | 0 | 0 | 0 | 111.3 | N392 | D349-N392 HydrophobicContact CB-CB 4.19Å; D349-N392 PolarHBondContact O-N 3.32Å | ||
| 350 | Y | 90.6 | Very high | 90.1 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.8 | 179.9 | -72.8 | -95.3 | 0 | 0 | 0 | 109.7 | L316 Q345 P346 G348 K390 S391 D397 | L316-Y350 HydrophobicContact CD1-CD1 3.96Å; L316-Y350 HydrophobicContact CD1-CE1 3.9Å; L316-Y350 HydrophobicContact CD2-CD1 3.77Å; L316-Y350 HydrophobicContact CD2-CE1 3.83Å; L316-Y350 HydrophobicContact CG-CD1 3.96Å; L316-Y350 HydrophobicContact CG-CE1 3.63Å; Q345-Y350 HydrophobicContact CB-CD2 4.39Å; P346-Y350 HydrophobicContact CB-CE2 4.3Å; P346-Y350 WeakPolarHBondContact CD-OH 3.21Å; P346-Y350 HydrophobicContact CG-CE2 4.49Å; P346-Y350 VanDerWaalsContact CG-OH 3.31Å; P346-Y350 WeakPolarHBondContact CG-OH 3.23Å; G348-Y350 WeakPolarHBondContact O-CD2 3.35Å; Y350-K390 WeakPolarHBondContact CA-O 3.48Å; Y350-K390 WeakPolarHBondContact CD1-O 3.48Å; Y350-S391 VanDerWaalsContact CD1-CA 3.49Å; Y350-S391 VanDerWaalsContact CE1-CB 3.49Å; Y350-D397 WeakPolarHBondContact CE1-OD2 3.41Å; Y350-D397 PolarHBondContact OH-OD2 3Å; Y350-D397 VanDerWaalsContact OH-OD2 3.06Å |
| 351 | E | 91.6 | Very high | 90.2 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150.6 | 171.8 | 72.1 | -177.8 | 177.6 | 0 | 0 | 112.4 | H353 V389 K390 | E351-H353 IonicContact OE1-NE2 3.36Å; E351-H353 IonicContact OE2-CE1 3.79Å; E351-H353 IonicContact OE2-NE2 2.75Å; E351-V389 WeakPolarHBondContact O-CA 3.35Å; E351-K390 HydrophobicContact CG-CG 4.16Å; E351-K390 PolarHBondContact N-O 3.28Å; E351-K390 VanDerWaalsContact N-O 3.08Å; E351-K390 PolarHBondContact O-N 2.84Å; E351-K390 VanDerWaalsContact O-N 3.09Å; E351-K390 WeakPolarHBondContact OE1-CE 3.44Å; E351-K390 IonicContact OE1-NZ 3.67Å; E351-K390 PolarHBondContact OE1-NZ 2.9Å |
| 352 | F | 92.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.2 | -179.6 | 73.5 | -90.9 | 0 | 0 | 0 | 110 | T367 K368 L387 V388 V389 | F352-T367 WeakPolarHBondContact CE2-O 3.37Å; F352-K368 HydrophobicContact CD1-CB 4.19Å; F352-K368 HydrophobicContact CD1-CG 4Å; F352-K368 HydrophobicContact CE1-CB 3.93Å; F352-K368 HydrophobicContact CE1-CG 4.19Å; F352-K368 HydrophobicContact CE2-CB 4.4Å; F352-K368 HydrophobicContact CG-CG 4.37Å; F352-K368 HydrophobicContact CZ-CB 4.05Å; F352-L387 HydrophobicContact CB-CD1 4.09Å; F352-L387 HydrophobicContact CD2-CD1 4.25Å; F352-V388 CarbonylContact C-O 3.47Å; F352-V388 WeakPolarHBondContact CA-O 3.49Å; F352-V389 HydrophobicContact CB-CG2 4.34Å |
| 353 | H | 93.7 | Very high | 88.2 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.1 | -178.9 | -61.1 | -21.7 | 0 | 0 | 0 | 110.5 | E351 F355 M360 L387 V388 | E351-H353 IonicContact OE1-NE2 3.36Å; E351-H353 IonicContact OE2-CE1 3.79Å; E351-H353 IonicContact OE2-NE2 2.75Å; H353-F355 HydrophobicContact CB-CD2 4.43Å; H353-F355 HydrophobicContact CB-CE2 3.54Å; H353-F355 HydrophobicContact CB-CZ 3.79Å; H353-F355 WeakPolarHBondContact O-CE2 3.37Å; H353-M360 HydrophobicContact CB-CE 4.16Å; H353-L387 WeakPolarHBondContact O-CD1 3.13Å; H353-V388 PolarHBondContact N-O 3.1Å; H353-V388 PolarHBondContact O-N 3.03Å |
| 354 | W | 95.4 | Very high | 87 | Confident | 4 Ų | 4 | 86.4 Ų | 86.4 | 2% | 0.015 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.2 | 172.4 | -76.7 | 90.5 | 0 | 0 | 0 | 110.6 | L339 L361 A366 T367 S370 Y371 S386 L387 Y403 | L339-W354 HydrophobicContact CB-CH2 3.98Å; L339-W354 HydrophobicContact CB-CZ3 4.13Å; L339-W354 HydrophobicContact CD1-CZ3 4.15Å; W354-L361 HydrophobicContact CB-CB 4.14Å; W354-L361 HydrophobicContact CB-CD1 4.12Å; W354-L361 PolarHBondContact O-N 3.2Å; W354-A366 HydrophobicContact CB-CB 4.48Å; W354-A366 HydrophobicContact CG-CB 4.17Å; W354-T367 PolarHBondContact NE1-O 2.89Å; W354-S370 VanDerWaalsContact CZ2-C 3.4Å; W354-S370 PolarHBondContact NE1-O 2.76Å; W354-Y371 HydrophobicContact CD2-CD2 4.49Å; W354-Y371 HydrophobicContact CD2-CG 4.35Å; W354-Y371 HydrophobicContact CE3-CG 4.25Å; W354-Y371 HydrophobicContact CG-CD2 4.44Å; W354-S386 CarbonylContact C-O 3.57Å; W354-S386 WeakPolarHBondContact CA-O 3.41Å; W354-L387 HydrophobicContact CD2-CB 3.93Å; W354-L387 HydrophobicContact CD2-CD1 4.11Å; W354-L387 HydrophobicContact CD2-CG 4.5Å; W354-L387 HydrophobicContact CE3-CB 4Å; W354-L387 HydrophobicContact CG-CD1 4.03Å; W354-L387 HydrophobicContact CH2-CB 4.06Å; W354-L387 HydrophobicContact CZ2-CB 3.97Å; W354-L387 HydrophobicContact CZ2-CD2 3.93Å; W354-L387 HydrophobicContact CZ2-CG 4.35Å; W354-L387 HydrophobicContact CZ3-CB 4.07Å; W354-Y403 HydrophobicContact CH2-CD2 4.43Å; W354-Y403 AromaticContact CH2-CE2 3.68Å; W354-Y403 HydrophobicContact CH2-CE2 3.68Å; W354-Y403 AromaticContact CZ3-CD2 3.96Å; W354-Y403 HydrophobicContact CZ3-CD2 3.96Å; W354-Y403 AromaticContact CZ3-CE2 3.6Å; W354-Y403 HydrophobicContact CZ3-CE2 3.6Å |
| 355 | F | 95.2 | Very high | 86.3 | Confident | 49 Ų | 49 | 87.6 Ų | 87.6 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155 | 178.8 | -58 | -94.7 | 0 | 0 | 0 | 110.3 | H353 E358 Q359 M360 L361 Y385 S386 V388 | H353-F355 HydrophobicContact CB-CD2 4.43Å; H353-F355 HydrophobicContact CB-CE2 3.54Å; H353-F355 HydrophobicContact CB-CZ 3.79Å; H353-F355 WeakPolarHBondContact O-CE2 3.37Å; F355-E358 WeakPolarHBondContact CD1-O 3.44Å; F355-Q359 CarbonylContact C-O 3.47Å; F355-Q359 WeakPolarHBondContact CA-O 3.42Å; F355-M360 HydrophobicContact CD1-CB 4.09Å; F355-M360 HydrophobicContact CE1-CB 3.99Å; F355-M360 HydrophobicContact CE1-CG 4.29Å; F355-L361 VanDerWaalsContact C-CD1 3.47Å; F355-L361 WeakPolarHBondContact O-CD1 3.4Å; F355-Y385 CarbonylContact O-C 3.48Å; F355-Y385 VanDerWaalsContact O-CA 3.27Å; F355-Y385 WeakPolarHBondContact O-CA 2.99Å; F355-S386 PolarHBondContact N-O 3.04Å; F355-S386 PolarHBondContact O-N 2.89Å; F355-V388 HydrophobicContact CD2-CG2 4.03Å; F355-V388 HydrophobicContact CE2-CB 4.04Å; F355-V388 HydrophobicContact CE2-CG2 3.72Å |
| 356 | K | 94.8 | Very high | 86.1 | Confident | 36 Ų | 36 | 85.7 Ų | 85.7 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.6 | 161.6 | -177.6 | -169.7 | -172.5 | -78.7 | 0 | 107.4 | E358 Q359 L361 S380 S382 V384 Y385 | K356-E358 VanDerWaalsContact C-N 3.28Å; K356-E358 PolarHBondContact O-N 2.89Å; K356-Q359 PolarHBondContact N-O 3.26Å; K356-Q359 WeakPolarHBondContact O-CB 3.21Å; K356-Q359 PolarHBondContact O-N 2.66Å; K356-L361 HydrophobicContact CB-CD1 4.05Å; K356-L361 HydrophobicContact CB-CD2 3.92Å; K356-L361 HydrophobicContact CB-CG 4.16Å; K356-S380 VanDerWaalsContact CE-O 3.31Å; K356-S380 WeakPolarHBondContact CE-O 3.29Å; K356-S380 PolarHBondContact NZ-O 2.93Å; K356-S380 VanDerWaalsContact NZ-O 3.17Å; K356-S382 WeakPolarHBondContact CE-O 3.42Å; K356-S382 PolarHBondContact NZ-O 3.2Å; K356-V384 WeakPolarHBondContact CA-O 3.02Å; K356-Y385 HydrophobicContact CB-CD1 4.01Å; K356-Y385 HydrophobicContact CB-CE1 3.97Å; K356-Y385 HydrophobicContact CB-CG 4.46Å; K356-Y385 HydrophobicContact CD-CE1 3.89Å; K356-Y385 HydrophobicContact CD-CE2 3.99Å; K356-Y385 WeakPolarHBondContact CD-OH 3.41Å; K356-Y385 WeakPolarHBondContact CE-OH 3.01Å; K356-Y385 HydrophobicContact CG-CD1 4.23Å; K356-Y385 HydrophobicContact CG-CD2 4.27Å; K356-Y385 HydrophobicContact CG-CE1 3.96Å; K356-Y385 HydrophobicContact CG-CE2 4.02Å; K356-Y385 HydrophobicContact CG-CG 4.37Å |
| 357 | D | 94.1 | Very high | 86.3 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 51.2 | 178.9 | -48.6 | -43.2 | 0 | 0 | 0 | 111.6 | Q359 G383 V384 | D357-Q359 PolarHBondContact O-N 2.82Å; D357-G383 VanDerWaalsContact OD1-CA 3.24Å; D357-G383 WeakPolarHBondContact OD1-CA 3.36Å; D357-V384 PolarHBondContact N-O 2.89Å; D357-V384 PolarHBondContact OD1-N 2.79Å |
| 358 | E | 90.5 | Very high | 86.7 | Confident | 188 Ų | 188 | 82.7 Ų | 82.7 | 88% | 0.879 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | -9.5 | -173.8 | -52.3 | -169.7 | 159.6 | 0 | 0 | 116.6 | F355 K356 | F355-E358 WeakPolarHBondContact CD1-O 3.44Å; K356-E358 VanDerWaalsContact C-N 3.28Å; K356-E358 PolarHBondContact O-N 2.89Å |
| 359 | Q | 93.3 | Very high | 87.3 | Confident | 150 Ų | 150 | 82.1 Ų | 82.1 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 132 | 179.2 | -58.9 | -179.8 | 37 | 0 | 0 | 111.9 | F355 K356 D357 L361 | F355-Q359 CarbonylContact C-O 3.47Å; F355-Q359 WeakPolarHBondContact CA-O 3.42Å; K356-Q359 PolarHBondContact N-O 3.26Å; K356-Q359 WeakPolarHBondContact O-CB 3.21Å; K356-Q359 PolarHBondContact O-N 2.66Å; D357-Q359 PolarHBondContact O-N 2.82Å; Q359-L361 PolarHBondContact O-N 3.01Å |
| 360 | M | 91.6 | Very high | 87.4 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.2 | -177.5 | -170.8 | -177.9 | -178.2 | 0 | 0 | 112.3 | H353 F355 | H353-M360 HydrophobicContact CB-CE 4.16Å; F355-M360 HydrophobicContact CD1-CB 4.09Å; F355-M360 HydrophobicContact CE1-CB 3.99Å; F355-M360 HydrophobicContact CE1-CG 4.29Å |
| 361 | L | 89.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 17% | 0.168 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 146 | -179 | -67.9 | 168.6 | 0 | 0 | 0 | 111.9 | W354 F355 K356 Q359 Y371 Y385 | W354-L361 HydrophobicContact CB-CB 4.14Å; W354-L361 HydrophobicContact CB-CD1 4.12Å; W354-L361 PolarHBondContact O-N 3.2Å; F355-L361 VanDerWaalsContact C-CD1 3.47Å; F355-L361 WeakPolarHBondContact O-CD1 3.4Å; K356-L361 HydrophobicContact CB-CD1 4.05Å; K356-L361 HydrophobicContact CB-CD2 3.92Å; K356-L361 HydrophobicContact CB-CG 4.16Å; Q359-L361 PolarHBondContact O-N 3.01Å; L361-Y371 HydrophobicContact CB-CE2 4.16Å; L361-Y371 HydrophobicContact CD1-CD2 4.23Å; L361-Y371 HydrophobicContact CD1-CE1 4.28Å; L361-Y371 HydrophobicContact CD1-CE2 3.79Å; L361-Y371 HydrophobicContact CG-CE2 4.42Å; L361-Y385 HydrophobicContact CD1-CD1 3.76Å; L361-Y385 HydrophobicContact CD1-CE1 4.01Å |
| 362 | H | 76.6 | Confident | 87.2 | Confident | 168 Ų | 168 | 74.7 Ų | 74.7 | 78% | 0.778 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 129.1 | -176.3 | -80.5 | 46.9 | 0 | 0 | 0 | 112.6 | R364 | H362-R364 PolarHBondContact O-N 3.13Š|
| 363 | N | 66 | Low | 87 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 15.8 | -168.3 | -155.8 | 28.8 | 0 | 0 | 0 | 116.5 | ||
| 364 | R | 67.4 | Low | 86.8 | Confident | 245 Ų | 245 | 72.7 Ų | 72.7 | 93% | 0.925 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -20.5 | 177.5 | -75.2 | -168.1 | 178.8 | -167.6 | 1.5 | 114.1 | H362 | H362-R364 PolarHBondContact O-N 3.13Š|
| 365 | I | 75.8 | Confident | 86.3 | Confident | 98 Ų | 98 | 76.3 Ų | 76.3 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -121.7 | -5.9 | -177.3 | -46.7 | 175.1 | 0 | 0 | 0 | 110.6 | ||
| 366 | A | 83.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 79.1 Ų | 79.1 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 145.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | W354 Y371 | W354-A366 HydrophobicContact CB-CB 4.48Å; W354-A366 HydrophobicContact CG-CB 4.17Å; A366-Y371 HydrophobicContact CB-CD2 3.98Å |
| 367 | T | 86.5 | Confident | 85.6 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 22% | 0.221 | 38% | 0.384 | C | S | . | . | trans | -123.7 | 174.3 | 165.7 | 85.7 | 0 | 0 | 0 | 0 | 109.6 | F352 W354 Y369 S370 | F352-T367 WeakPolarHBondContact CE2-O 3.37Å; W354-T367 PolarHBondContact NE1-O 2.89Å; T367-Y369 PolarHBondContact O-N 2.87Å; T367-Y369 PolarHBondContact OG1-N 3.34Å; T367-Y369 VanDerWaalsContact OG1-N 3.14Å; T367-S370 WeakPolarHBondContact CG2-OG 3.36Å; T367-S370 PolarHBondContact N-O 2.88Å; T367-S370 PolarHBondContact OG1-N 2.69Å; T367-S370 PolarHBondContact OG1-OG 3.48Å | ||
| 368 | K | 88.1 | Confident | 85.5 | Confident | 51 Ų | 51 | 77.7 Ų | 77.7 | 22% | 0.222 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -55.5 | -30.5 | 173.3 | -172.9 | -177 | 175.6 | -160.1 | 0 | 113.4 | Y343 Q345 F352 | Y343-K368 WeakPolarHBondContact CE1-O 3.01Å; Y343-K368 VanDerWaalsContact OH-CE 3.26Å; Y343-K368 WeakPolarHBondContact OH-CE 3.5Å; Y343-K368 WeakPolarHBondContact OH-CG 3.31Å; Y343-K368 PolarHBondContact OH-O 3.1Å; Q345-K368 VanDerWaalsContact OE1-CE 3.22Å; F352-K368 HydrophobicContact CD1-CB 4.19Å; F352-K368 HydrophobicContact CD1-CG 4Å; F352-K368 HydrophobicContact CE1-CB 3.93Å; F352-K368 HydrophobicContact CE1-CG 4.19Å; F352-K368 HydrophobicContact CE2-CB 4.4Å; F352-K368 HydrophobicContact CG-CG 4.37Å; F352-K368 HydrophobicContact CZ-CB 4.05Å |
| 369 | Y | 89.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 72 Ų | 72 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -122.5 | -2.9 | -172.2 | -55.3 | -59.8 | 0 | 0 | 0 | 114.1 | P193 T261 R340 A341 L342 Y343 T367 | P193-Y369 HydrophobicContact CG-CE1 4.11Å; T261-Y369 HydrophobicContact CG2-CD2 3.51Å; T261-Y369 HydrophobicContact CG2-CE2 3.59Å; T261-Y369 HydrophobicContact CG2-CG 4.34Å; R340-Y369 WeakPolarHBondContact CA-O 3.5Å; A341-Y369 PolarHBondContact N-O 2.73Å; A341-Y369 VanDerWaalsContact O-CA 3.24Å; A341-Y369 WeakPolarHBondContact O-CA 3.28Å; A341-Y369 WeakPolarHBondContact O-CB 3.49Å; A341-Y369 WeakPolarHBondContact O-CD1 3.44Å; L342-Y369 HydrophobicContact CD2-CD1 4.31Å; L342-Y369 HydrophobicContact CD2-CG 4.22Å; Y343-Y369 HydrophobicContact CD1-CD1 4.08Å; Y343-Y369 HydrophobicContact CD1-CE1 4.19Å; Y343-Y369 AromaticContact CE1-CD1 3.73Å; Y343-Y369 HydrophobicContact CE1-CD1 3.73Å; Y343-Y369 AromaticContact CE1-CE1 3.89Å; Y343-Y369 HydrophobicContact CE1-CE1 3.89Å; Y343-Y369 HydrophobicContact CE2-CE1 4.42Å; T367-Y369 PolarHBondContact O-N 2.87Å; T367-Y369 PolarHBondContact OG1-N 3.34Å; T367-Y369 VanDerWaalsContact OG1-N 3.14Å |
| 370 | S | 88.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 159 | -175.8 | 63 | 0 | 0 | 0 | 0 | 114.5 | L339 W354 T367 | L339-S370 CarbonylContact O-C 3.41Å; L339-S370 WeakPolarHBondContact O-CA 3.16Å; L339-S370 WeakPolarHBondContact O-CB 3.41Å; W354-S370 VanDerWaalsContact CZ2-C 3.4Å; W354-S370 PolarHBondContact NE1-O 2.76Å; T367-S370 WeakPolarHBondContact CG2-OG 3.36Å; T367-S370 PolarHBondContact N-O 2.88Å; T367-S370 PolarHBondContact OG1-N 2.69Å; T367-S370 PolarHBondContact OG1-OG 3.48Å |
| 371 | Y | 90.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 122.1 | 168.1 | 178.7 | -92.8 | 0 | 0 | 0 | 109.6 | M338 L339 W354 L361 A366 L373 Y385 | M338-Y371 CarbonylContact C-O 3.54Å; M338-Y371 WeakPolarHBondContact CA-O 3.47Å; L339-Y371 HydrophobicContact CD1-CD1 4.22Å; L339-Y371 PolarHBondContact N-O 2.88Å; L339-Y371 PolarHBondContact O-N 3.41Å; W354-Y371 HydrophobicContact CD2-CD2 4.49Å; W354-Y371 HydrophobicContact CD2-CG 4.35Å; W354-Y371 HydrophobicContact CE3-CG 4.25Å; W354-Y371 HydrophobicContact CG-CD2 4.44Å; L361-Y371 HydrophobicContact CB-CE2 4.16Å; L361-Y371 HydrophobicContact CD1-CD2 4.23Å; L361-Y371 HydrophobicContact CD1-CE1 4.28Å; L361-Y371 HydrophobicContact CD1-CE2 3.79Å; L361-Y371 HydrophobicContact CG-CE2 4.42Å; A366-Y371 HydrophobicContact CB-CD2 3.98Å; Y371-L373 HydrophobicContact CD1-CD2 4.12Å; Y371-L373 HydrophobicContact CE1-CD2 4.01Å; Y371-Y385 HydrophobicContact CD1-CD1 4.14Å; Y371-Y385 HydrophobicContact CD1-CE1 4.13Å; Y371-Y385 AromaticContact CE1-CD1 4Å; Y371-Y385 HydrophobicContact CE1-CD1 4Å; Y371-Y385 AromaticContact CE1-CE1 3.55Å; Y371-Y385 HydrophobicContact CE1-CE1 3.55Å |
| 372 | T | 88.1 | Confident | 85.6 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.4 | -179.1 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | F337 M338 | F337-T372 WeakPolarHBondContact O-CA 3.34Å; F337-T372 WeakPolarHBondContact O-CG2 3.37Å; M338-T372 HydrophobicContact CG-CG2 4.19Å; M338-T372 WeakPolarHBondContact CG-OG1 3.42Å |
| 373 | L | 88.7 | Confident | 86.5 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 159 | 173.7 | -65.8 | -171.5 | 0 | 0 | 0 | 111.3 | I328 F337 L339 Y371 V381 Y385 V405 | I328-L373 HydrophobicContact CD1-CD1 3.96Å; F337-L373 HydrophobicContact CD1-CB 4.16Å; F337-L373 HydrophobicContact CD1-CD1 3.7Å; F337-L373 HydrophobicContact CD1-CG 3.9Å; F337-L373 HydrophobicContact CE1-CD1 3.64Å; F337-L373 HydrophobicContact CE1-CG 4.15Å; F337-L373 PolarHBondContact O-N 3.5Å; L339-L373 HydrophobicContact CD1-CD2 4.19Å; L339-L373 HydrophobicContact CG-CD2 4.28Å; L339-L373 HydrophobicContact CG-CG 4.45Å; Y371-L373 HydrophobicContact CD1-CD2 4.12Å; Y371-L373 HydrophobicContact CE1-CD2 4.01Å; L373-V381 HydrophobicContact CD1-CG1 4.36Å; L373-V381 HydrophobicContact CD2-CG1 4.3Å; L373-Y385 HydrophobicContact CD2-CE1 4.11Å; L373-Y385 HydrophobicContact CD2-CE2 4.28Å; L373-V405 HydrophobicContact CD1-CG1 4.31Å |
| 374 | P | 88.5 | Confident | 88 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 147.2 | 170.9 | -26.3 | 37.2 | 0 | 0 | 0 | 112.6 | I377 V381 | P374-I377 WeakPolarHBondContact O-CD1 3.31Å; P374-V381 HydrophobicContact CB-CG2 4.42Å; P374-V381 HydrophobicContact CG-CG2 4.04Å |
| 375 | S | 84.7 | Confident | 89.3 | Confident | 80 Ų | 80 | 43.1 Ų | 43.1 | 56% | 0.559 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -72.8 | -31.4 | -178.7 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | K333 L334 | K333-S375 CarbonylContact C-O 3.52Å; K333-S375 WeakPolarHBondContact CA-O 3.3Å; L334-S375 PolarHBondContact N-O 2.88Å; L334-S375 CarbonylContact O-C 3.58Å; L334-S375 WeakPolarHBondContact O-CA 3.17Å; L334-S375 WeakPolarHBondContact O-CB 3.11Å |
| 376 | L | 86.6 | Confident | 90.3 | Very high | 108 Ų | 108 | 39.6 Ų | 39.6 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | B | Isolated β-bridge | trans | -102 | 120.9 | 169.6 | -176 | 63.7 | 0 | 0 | 0 | 109 | ||
| 377 | I | 88.9 | Confident | 90.9 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | trans | -91.1 | 113.9 | -179.1 | -62.9 | -62.7 | 0 | 0 | 0 | 111 | I328 G331 T332 L334 P374 V381 V407 | I328-I377 HydrophobicContact CG2-CB 4.43Å; I328-I377 HydrophobicContact CG2-CG1 4.12Å; I328-I377 HydrophobicContact CG2-CG2 3.98Å; G331-I377 PolarHBondContact N-O 2.62Å; T332-I377 PolarHBondContact O-N 2.85Å; T332-I377 VanDerWaalsContact O-N 3.15Å; L334-I377 HydrophobicContact CD1-CD1 3.71Å; L334-I377 HydrophobicContact CD1-CG1 3.7Å; L334-I377 HydrophobicContact CG-CD1 4.37Å; L334-I377 HydrophobicContact CG-CG1 3.87Å; P374-I377 WeakPolarHBondContact O-CD1 3.31Å; I377-V381 HydrophobicContact CD1-CB 4.28Å; I377-V381 HydrophobicContact CD1-CG1 3.85Å; I377-V381 HydrophobicContact CD1-CG2 4.14Å; I377-V407 HydrophobicContact CG2-CB 4.41Å; I377-V407 HydrophobicContact CG2-CG1 3.77Å; I377-V407 HydrophobicContact CG2-CG2 3.7Å | ||
| 378 | D | 91.4 | Very high | 91.3 | Very high | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | trans | -116.6 | 179.7 | 166.3 | 69.8 | 39.2 | 0 | 0 | 0 | 111.2 | S380 V381 | D378-S380 PolarHBondContact O-N 2.93Å; D378-S380 WeakPolarHBondContact OD1-CA 2.85Å; D378-S380 VanDerWaalsContact OD1-CB 3.23Å; D378-S380 WeakPolarHBondContact OD1-CB 3.35Å; D378-S380 PolarHBondContact OD1-N 2.97Å; D378-S380 PolarHBondContact OD1-OG 3.11Å; D378-V381 PolarHBondContact O-N 2.82Å | ||
| 379 | E | 89.3 | Confident | 91.7 | Very high | 68 Ų | 68 | 36.6 Ų | 36.6 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -65.2 | -21.3 | -175 | -61.8 | -179.7 | -158 | 0 | 0 | 113.7 | K330 V381 S382 R440 | K330-E379 HydrophobicContact CD-CG 4.05Å; K330-E379 WeakPolarHBondContact CE-OE1 3.38Å; K330-E379 IonicContact NZ-OE1 2.75Å; K330-E379 PolarHBondContact NZ-OE1 3.05Å; E379-V381 PolarHBondContact O-N 2.84Å; E379-S382 VanDerWaalsContact O-CB 3.3Å; E379-S382 WeakPolarHBondContact O-CB 3.44Å; E379-S382 PolarHBondContact O-N 3.01Å; E379-S382 VanDerWaalsContact O-N 3.08Å; E379-R440 IonicContact OE1-CZ 3.26Å; E379-R440 IonicContact OE1-NH1 2.92Å; E379-R440 IonicContact OE1-NH2 3.64Å; E379-R440 PolarHBondContact OE1-NH2 2.88Å; E379-R440 IonicContact OE2-CZ 3.71Å; E379-R440 IonicContact OE2-NH1 2.7Å; E379-R440 PolarHBondContact OE2-NH1 3.29Å; E379-R440 IonicContact OE2-NH2 3.36Å; E379-R440 PolarHBondContact OE2-NH2 2.87Å |
| 380 | S | 91.6 | Very high | 91.9 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 59% | 0.594 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -70 | -19.3 | 177.9 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | K356 D378 S382 | K356-S380 VanDerWaalsContact CE-O 3.31Å; K356-S380 WeakPolarHBondContact CE-O 3.29Å; K356-S380 PolarHBondContact NZ-O 2.93Å; K356-S380 VanDerWaalsContact NZ-O 3.17Å; D378-S380 PolarHBondContact O-N 2.93Å; D378-S380 WeakPolarHBondContact OD1-CA 2.85Å; D378-S380 VanDerWaalsContact OD1-CB 3.23Å; D378-S380 WeakPolarHBondContact OD1-CB 3.35Å; D378-S380 PolarHBondContact OD1-N 2.97Å; D378-S380 PolarHBondContact OD1-OG 3.11Å; S380-S382 VanDerWaalsContact C-N 3.26Å |
| 381 | V | 92.7 | Very high | 92 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -75.3 | -16.9 | 173.6 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | L373 P374 I377 D378 E379 Y385 V405 V407 | L373-V381 HydrophobicContact CD1-CG1 4.36Å; L373-V381 HydrophobicContact CD2-CG1 4.3Å; P374-V381 HydrophobicContact CB-CG2 4.42Å; P374-V381 HydrophobicContact CG-CG2 4.04Å; I377-V381 HydrophobicContact CD1-CB 4.28Å; I377-V381 HydrophobicContact CD1-CG1 3.85Å; I377-V381 HydrophobicContact CD1-CG2 4.14Å; D378-V381 PolarHBondContact O-N 2.82Å; E379-V381 PolarHBondContact O-N 2.84Å; V381-Y385 WeakPolarHBondContact O-CE2 3.48Å; V381-Y385 PolarHBondContact O-OH 2.7Å; V381-V405 HydrophobicContact CG1-CG1 4.48Å; V381-V407 HydrophobicContact CB-CG2 4.14Å |
| 382 | S | 94.3 | Very high | 92 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | trans | -69.4 | 134.7 | 176.2 | -148.3 | 0 | 0 | 0 | 0 | 110.9 | K356 E379 S380 V405 K406 V407 | K356-S382 WeakPolarHBondContact CE-O 3.42Å; K356-S382 PolarHBondContact NZ-O 3.2Å; E379-S382 VanDerWaalsContact O-CB 3.3Å; E379-S382 WeakPolarHBondContact O-CB 3.44Å; E379-S382 PolarHBondContact O-N 3.01Å; E379-S382 VanDerWaalsContact O-N 3.08Å; S380-S382 VanDerWaalsContact C-N 3.26Å; S382-V405 CarbonylContact C-O 3.55Å; S382-V405 VanDerWaalsContact CA-O 3.24Å; S382-V405 WeakPolarHBondContact CA-O 2.99Å; S382-V405 PolarHBondContact OG-O 2.82Å; S382-V405 VanDerWaalsContact OG-O 3.07Å; S382-K406 WeakPolarHBondContact OG-CA 2.92Å; S382-V407 PolarHBondContact OG-N 3.3Å | ||
| 383 | G | 95.1 | Very high | 92 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D357 V405 | D357-G383 VanDerWaalsContact OD1-CA 3.24Å; D357-G383 WeakPolarHBondContact OD1-CA 3.36Å; G383-V405 PolarHBondContact N-O 2.63Å; G383-V405 PolarHBondContact O-N 2.8Å |
| 384 | V | 96.9 | Very high | 91.9 | Very high | 65 Ų | 65 | 50 Ų | 50 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 107 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | K356 D357 T402 | K356-V384 WeakPolarHBondContact CA-O 3.02Å; D357-V384 PolarHBondContact N-O 2.89Å; D357-V384 PolarHBondContact OD1-N 2.79Å; V384-T402 HydrophobicContact CG1-CG2 3.51Å |
| 385 | Y | 96.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.8 | 172.5 | -69.8 | -102.2 | 0 | 0 | 0 | 109.9 | L339 F355 K356 L361 Y371 L373 V381 T402 Y403 V405 | L339-Y385 HydrophobicContact CD1-CD1 3.97Å; L339-Y385 HydrophobicContact CD1-CD2 4.28Å; L339-Y385 HydrophobicContact CD1-CG 3.7Å; F355-Y385 CarbonylContact O-C 3.48Å; F355-Y385 VanDerWaalsContact O-CA 3.27Å; F355-Y385 WeakPolarHBondContact O-CA 2.99Å; K356-Y385 HydrophobicContact CB-CD1 4.01Å; K356-Y385 HydrophobicContact CB-CE1 3.97Å; K356-Y385 HydrophobicContact CB-CG 4.46Å; K356-Y385 HydrophobicContact CD-CE1 3.89Å; K356-Y385 HydrophobicContact CD-CE2 3.99Å; K356-Y385 WeakPolarHBondContact CD-OH 3.41Å; K356-Y385 WeakPolarHBondContact CE-OH 3.01Å; K356-Y385 HydrophobicContact CG-CD1 4.23Å; K356-Y385 HydrophobicContact CG-CD2 4.27Å; K356-Y385 HydrophobicContact CG-CE1 3.96Å; K356-Y385 HydrophobicContact CG-CE2 4.02Å; K356-Y385 HydrophobicContact CG-CG 4.37Å; L361-Y385 HydrophobicContact CD1-CD1 3.76Å; L361-Y385 HydrophobicContact CD1-CE1 4.01Å; Y371-Y385 HydrophobicContact CD1-CD1 4.14Å; Y371-Y385 HydrophobicContact CD1-CE1 4.13Å; Y371-Y385 AromaticContact CE1-CD1 4Å; Y371-Y385 HydrophobicContact CE1-CD1 4Å; Y371-Y385 AromaticContact CE1-CE1 3.55Å; Y371-Y385 HydrophobicContact CE1-CE1 3.55Å; L373-Y385 HydrophobicContact CD2-CE1 4.11Å; L373-Y385 HydrophobicContact CD2-CE2 4.28Å; V381-Y385 WeakPolarHBondContact O-CE2 3.48Å; V381-Y385 PolarHBondContact O-OH 2.7Å; Y385-T402 CarbonylContact O-C 3.56Å; Y385-Y403 PolarHBondContact N-O 2.89Å; Y385-Y403 PolarHBondContact O-N 3.17Å; Y385-V405 HydrophobicContact CD2-CB 3.92Å; Y385-V405 HydrophobicContact CD2-CG2 3.55Å; Y385-V405 HydrophobicContact CE2-CB 3.9Å; Y385-V405 HydrophobicContact CE2-CG1 4.4Å; Y385-V405 HydrophobicContact CE2-CG2 3.88Å; Y385-V405 HydrophobicContact CG-CG2 4.5Å |
| 386 | S | 96.4 | Very high | 91.7 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.2 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | W354 F355 F401 | W354-S386 CarbonylContact C-O 3.57Å; W354-S386 WeakPolarHBondContact CA-O 3.41Å; F355-S386 PolarHBondContact N-O 3.04Å; F355-S386 PolarHBondContact O-N 2.89Å; S386-F401 CarbonylContact C-O 3.58Å; S386-F401 WeakPolarHBondContact CA-O 3.24Å |
| 387 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.2 | 163.6 | 174.7 | 61 | 0 | 0 | 0 | 109 | A341 Y343 F352 H353 W354 V389 I400 F401 | A341-L387 HydrophobicContact CB-CD2 3.53Å; Y343-L387 HydrophobicContact CE1-CD2 4.26Å; F352-L387 HydrophobicContact CB-CD1 4.09Å; F352-L387 HydrophobicContact CD2-CD1 4.25Å; H353-L387 WeakPolarHBondContact O-CD1 3.13Å; W354-L387 HydrophobicContact CD2-CB 3.93Å; W354-L387 HydrophobicContact CD2-CD1 4.11Å; W354-L387 HydrophobicContact CD2-CG 4.5Å; W354-L387 HydrophobicContact CE3-CB 4Å; W354-L387 HydrophobicContact CG-CD1 4.03Å; W354-L387 HydrophobicContact CH2-CB 4.06Å; W354-L387 HydrophobicContact CZ2-CB 3.97Å; W354-L387 HydrophobicContact CZ2-CD2 3.93Å; W354-L387 HydrophobicContact CZ2-CG 4.35Å; W354-L387 HydrophobicContact CZ3-CB 4.07Å; L387-V389 HydrophobicContact CD1-CG2 4.36Å; L387-V389 HydrophobicContact CD2-CG2 4.04Å; L387-V389 HydrophobicContact CG-CG2 3.92Å; L387-I400 WeakPolarHBondContact O-CA 3.22Å; L387-F401 HydrophobicContact CB-CB 4.31Å; L387-F401 HydrophobicContact CD2-CD2 4.37Å; L387-F401 PolarHBondContact N-O 3.45Å; L387-F401 PolarHBondContact O-N 3.39Å |
| 388 | V | 95.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.8 | 168.5 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | F352 H353 F355 I400 | F352-V388 CarbonylContact C-O 3.47Å; F352-V388 WeakPolarHBondContact CA-O 3.49Å; H353-V388 PolarHBondContact N-O 3.1Å; H353-V388 PolarHBondContact O-N 3.03Å; F355-V388 HydrophobicContact CD2-CG2 4.03Å; F355-V388 HydrophobicContact CE2-CB 4.04Å; F355-V388 HydrophobicContact CE2-CG2 3.72Å; V388-I400 HydrophobicContact CG1-CG1 4.47Å; V388-I400 HydrophobicContact CG2-CG1 4.34Å; V388-I400 HydrophobicContact CG2-CG2 4.42Å |
| 389 | V | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.8 | 171.4 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | L316 Y343 E351 F352 L387 R398 L399 | L316-V389 HydrophobicContact CD1-CB 4.32Å; L316-V389 HydrophobicContact CD1-CG1 3.94Å; L316-V389 HydrophobicContact CD2-CG1 3.92Å; Y343-V389 HydrophobicContact CD1-CG2 4.35Å; Y343-V389 HydrophobicContact CD2-CG1 4.37Å; Y343-V389 HydrophobicContact CE1-CG2 3.71Å; Y343-V389 HydrophobicContact CE2-CB 4.43Å; Y343-V389 HydrophobicContact CE2-CG1 3.61Å; Y343-V389 HydrophobicContact CE2-CG2 4.15Å; E351-V389 WeakPolarHBondContact O-CA 3.35Å; F352-V389 HydrophobicContact CB-CG2 4.34Å; L387-V389 HydrophobicContact CD1-CG2 4.36Å; L387-V389 HydrophobicContact CD2-CG2 4.04Å; L387-V389 HydrophobicContact CG-CG2 3.92Å; V389-R398 CarbonylContact O-C 3.54Å; V389-R398 WeakPolarHBondContact O-CA 3.5Å; V389-R398 WeakPolarHBondContact O-CB 3.27Å; V389-L399 PolarHBondContact N-O 2.84Å; V389-L399 PolarHBondContact O-N 3.18Å |
| 390 | K | 93.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 152.3 | 179.6 | 51.7 | 169.4 | 177.6 | 140.4 | 0 | 112.1 | Y350 E351 D397 R398 | Y350-K390 WeakPolarHBondContact CA-O 3.48Å; Y350-K390 WeakPolarHBondContact CD1-O 3.48Å; E351-K390 HydrophobicContact CG-CG 4.16Å; E351-K390 PolarHBondContact N-O 3.28Å; E351-K390 VanDerWaalsContact N-O 3.08Å; E351-K390 PolarHBondContact O-N 2.84Å; E351-K390 VanDerWaalsContact O-N 3.09Å; E351-K390 WeakPolarHBondContact OE1-CE 3.44Å; E351-K390 IonicContact OE1-NZ 3.67Å; E351-K390 PolarHBondContact OE1-NZ 2.9Å; K390-D397 WeakPolarHBondContact CA-O 3.21Å; K390-R398 HydrophobicContact CB-CB 3.93Å |
| 391 | S | 92.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 146.7 | 166.5 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | Y350 E393 D394 D397 | Y350-S391 VanDerWaalsContact CD1-CA 3.49Å; Y350-S391 VanDerWaalsContact CE1-CB 3.49Å; S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact OG-N 3.01Å; S391-D394 WeakPolarHBondContact CB-O 3.29Å; S391-D394 PolarHBondContact OG-N 2.86Å; S391-D394 VanDerWaalsContact OG-N 3.15Å; S391-D397 PolarHBondContact N-O 2.81Å |
| 392 | N | 89.2 | Confident | 93.3 | Very high | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -80.6 | -11 | 167.7 | -68.2 | -11.9 | 0 | 0 | 0 | 112.4 | D349 | D349-N392 HydrophobicContact CB-CB 4.19Å; D349-N392 PolarHBondContact O-N 3.32Å |
| 393 | E | 87.8 | Confident | 93.3 | Very high | 159 Ų | 159 | 50.4 Ų | 50.4 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -106.8 | -49.9 | -178.2 | -60.9 | -179.4 | -173.4 | 0 | 0 | 112.3 | S391 | S391-E393 VanDerWaalsContact C-N 3.27Å; S391-E393 PolarHBondContact OG-N 3.01Å |
| 394 | D | 86.7 | Confident | 93.3 | Very high | 63 Ų | 63 | 53 Ų | 53 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | trans | -105.9 | 98 | 176.9 | -178.6 | 3.7 | 0 | 0 | 0 | 111.3 | K315 S391 S396 D397 | K315-D394 IonicContact NZ-OD2 3.49Å; K315-D394 PolarHBondContact NZ-OD2 2.97Å; S391-D394 WeakPolarHBondContact CB-O 3.29Å; S391-D394 PolarHBondContact OG-N 2.86Å; S391-D394 VanDerWaalsContact OG-N 3.15Å; D394-S396 PolarHBondContact O-N 3.24Å; D394-S396 WeakPolarHBondContact OD1-CA 3.26Å; D394-S396 VanDerWaalsContact OD1-CB 3.24Å; D394-S396 WeakPolarHBondContact OD1-CB 3.44Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 2.82Å; D394-S396 PolarHBondContact OD2-OG 2.87Å; D394-S396 VanDerWaalsContact OD2-OG 3.07Å; D394-D397 HydrophobicContact CB-CB 4.1Å; D394-D397 PolarHBondContact O-N 3.45Å | ||
| 395 | I | 83.1 | Confident | 93.2 | Very high | 147 Ų | 147 | 49.9 Ų | 49.9 | 75% | 0.754 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.7 | 178.4 | -58.9 | 171.5 | 0 | 0 | 0 | 112.4 | ||
| 396 | S | 87.2 | Confident | 93 | Very high | 85 Ų | 85 | 52 Ų | 52 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -22.3 | 173.8 | 81.5 | 0 | 0 | 0 | 0 | 113.7 | K315 D394 R398 | K315-S396 PolarHBondContact NZ-OG 3.02Å; D394-S396 PolarHBondContact O-N 3.24Å; D394-S396 WeakPolarHBondContact OD1-CA 3.26Å; D394-S396 VanDerWaalsContact OD1-CB 3.24Å; D394-S396 WeakPolarHBondContact OD1-CB 3.44Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 2.82Å; D394-S396 PolarHBondContact OD2-OG 2.87Å; D394-S396 VanDerWaalsContact OD2-OG 3.07Å; S396-R398 PolarHBondContact O-N 2.81Å; S396-R398 VanDerWaalsContact O-N 3.11Å |
| 397 | D | 92.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | trans | -82.9 | 86.7 | 175.3 | -166.1 | 34.3 | 0 | 0 | 0 | 110.2 | K315 L316 Y350 K390 S391 D394 | K315-D397 VanDerWaalsContact CB-OD1 3.29Å; K315-D397 WeakPolarHBondContact CB-OD1 3.23Å; L316-D397 WeakPolarHBondContact CD1-O 3.4Å; L316-D397 PolarHBondContact N-OD1 2.9Å; L316-D397 PolarHBondContact N-OD2 2.93Å; L316-D397 VanDerWaalsContact N-OD2 3.09Å; Y350-D397 WeakPolarHBondContact CE1-OD2 3.41Å; Y350-D397 PolarHBondContact OH-OD2 3Å; Y350-D397 VanDerWaalsContact OH-OD2 3.06Å; K390-D397 WeakPolarHBondContact CA-O 3.21Å; S391-D397 PolarHBondContact N-O 2.81Å; D394-D397 HydrophobicContact CB-CB 4.1Å; D394-D397 PolarHBondContact O-N 3.45Å | ||
| 398 | R | 94.2 | Very high | 92.6 | Very high | 158 Ų | 158 | 51.2 Ų | 51.2 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.8 | -179.4 | 70.3 | -177.7 | -168.4 | 168.7 | 4.7 | 112.4 | V389 K390 S396 | V389-R398 CarbonylContact O-C 3.54Å; V389-R398 WeakPolarHBondContact O-CA 3.5Å; V389-R398 WeakPolarHBondContact O-CB 3.27Å; K390-R398 HydrophobicContact CB-CB 3.93Å; S396-R398 PolarHBondContact O-N 2.81Å; S396-R398 VanDerWaalsContact O-N 3.11Å |
| 399 | L | 96 | Very high | 92.2 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.1 | 165.7 | -62.5 | 177.5 | 0 | 0 | 0 | 109.6 | L316 P318 L322 Y343 V389 F401 | L316-L399 HydrophobicContact CB-CD1 3.81Å; L316-L399 HydrophobicContact CB-CD2 4.45Å; L316-L399 HydrophobicContact CB-CG 3.73Å; L316-L399 HydrophobicContact CD1-CG 4.31Å; P318-L399 HydrophobicContact CB-CD1 4.18Å; P318-L399 HydrophobicContact CG-CD2 4.36Å; L322-L399 HydrophobicContact CD2-CD2 4.39Å; Y343-L399 HydrophobicContact CG-CD1 4.37Å; V389-L399 PolarHBondContact N-O 2.84Å; V389-L399 PolarHBondContact O-N 3.18Å; L399-F401 HydrophobicContact CB-CD2 4.41Å; L399-F401 HydrophobicContact CB-CE2 3.87Å; L399-F401 HydrophobicContact CD1-CE2 4.01Å; L399-F401 HydrophobicContact CD1-CZ 4.1Å |
| 400 | I | 95.9 | Very high | 91.9 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 32% | 0.323 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.8 | 172 | -54.5 | 179.4 | 0 | 0 | 0 | 106.3 | L387 V388 | L387-I400 WeakPolarHBondContact O-CA 3.22Å; V388-I400 HydrophobicContact CG1-CG1 4.47Å; V388-I400 HydrophobicContact CG2-CG1 4.34Å; V388-I400 HydrophobicContact CG2-CG2 4.42Å |
| 401 | F | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.8 | 171.4 | -62.8 | -97.6 | 0 | 0 | 0 | 108.1 | P318 T320 T321 L322 A341 Y343 S386 L387 L399 Y403 | P318-F401 HydrophobicContact CB-CE1 4.07Å; P318-F401 HydrophobicContact CB-CZ 3.89Å; T320-F401 WeakPolarHBondContact OG1-CE1 3.25Å; T321-F401 WeakPolarHBondContact O-CD1 3.47Å; L322-F401 HydrophobicContact CD2-CD1 3.91Å; L322-F401 HydrophobicContact CD2-CD2 4.46Å; L322-F401 HydrophobicContact CD2-CE1 3.74Å; L322-F401 HydrophobicContact CD2-CE2 4.32Å; L322-F401 HydrophobicContact CD2-CG 4.26Å; L322-F401 HydrophobicContact CD2-CZ 3.95Å; L322-F401 CarbonylContact O-C 3.55Å; L322-F401 WeakPolarHBondContact O-CA 3.35Å; A341-F401 HydrophobicContact CB-CB 4.14Å; A341-F401 HydrophobicContact CB-CD1 3.77Å; A341-F401 HydrophobicContact CB-CD2 3.73Å; A341-F401 HydrophobicContact CB-CE1 4.07Å; A341-F401 HydrophobicContact CB-CE2 4.02Å; A341-F401 HydrophobicContact CB-CG 3.61Å; A341-F401 HydrophobicContact CB-CZ 4.19Å; Y343-F401 AromaticContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CE2 3.95Å; Y343-F401 HydrophobicContact CD1-CZ 4.2Å; Y343-F401 HydrophobicContact CG-CE2 4.44Å; S386-F401 CarbonylContact C-O 3.58Å; S386-F401 WeakPolarHBondContact CA-O 3.24Å; L387-F401 HydrophobicContact CB-CB 4.31Å; L387-F401 HydrophobicContact CD2-CD2 4.37Å; L387-F401 PolarHBondContact N-O 3.45Å; L387-F401 PolarHBondContact O-N 3.39Å; L399-F401 HydrophobicContact CB-CD2 4.41Å; L399-F401 HydrophobicContact CB-CE2 3.87Å; L399-F401 HydrophobicContact CD1-CE2 4.01Å; L399-F401 HydrophobicContact CD1-CZ 4.1Å; F401-Y403 HydrophobicContact CB-CE2 4.01Å |
| 402 | T | 97.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.8 | -175.2 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | L322 S323 S324 V384 Y385 | L322-T402 PolarHBondContact O-N 3.02Å; S323-T402 WeakPolarHBondContact CA-O 3.06Å; S324-T402 PolarHBondContact N-O 3.24Å; V384-T402 HydrophobicContact CG1-CG2 3.51Å; Y385-T402 CarbonylContact O-C 3.56Å |
| 403 | Y | 95.2 | Very high | 92 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 107.1 | 179.7 | -48.2 | -88 | 0 | 0 | 0 | 109.5 | S324 Y326 L339 R340 A341 W354 Y385 F401 V405 | S324-Y403 WeakPolarHBondContact O-CA 3.25Å; Y326-Y403 AromaticContact CE2-CD1 3.75Å; Y326-Y403 HydrophobicContact CE2-CD1 3.75Å; Y326-Y403 HydrophobicContact CE2-CG 4.49Å; L339-Y403 HydrophobicContact CB-CD1 4.46Å; L339-Y403 HydrophobicContact CB-CD2 4.29Å; L339-Y403 HydrophobicContact CB-CE1 4.45Å; L339-Y403 HydrophobicContact CB-CE2 4.31Å; L339-Y403 HydrophobicContact CB-CG 4.37Å; L339-Y403 HydrophobicContact CD1-CD2 4.08Å; L339-Y403 HydrophobicContact CD1-CG 4.16Å; L339-Y403 HydrophobicContact CD2-CD1 4.31Å; L339-Y403 HydrophobicContact CD2-CG 4.19Å; L339-Y403 HydrophobicContact CG-CG 4.48Å; R340-Y403 PolarHBondContact O-OH 2.87Å; A341-Y403 WeakPolarHBondContact CA-OH 3.08Å; A341-Y403 WeakPolarHBondContact CB-OH 3.31Å; A341-Y403 PolarHBondContact N-OH 3.35Å; W354-Y403 HydrophobicContact CH2-CD2 4.43Å; W354-Y403 AromaticContact CH2-CE2 3.68Å; W354-Y403 HydrophobicContact CH2-CE2 3.68Å; W354-Y403 AromaticContact CZ3-CD2 3.96Å; W354-Y403 HydrophobicContact CZ3-CD2 3.96Å; W354-Y403 AromaticContact CZ3-CE2 3.6Å; W354-Y403 HydrophobicContact CZ3-CE2 3.6Å; Y385-Y403 PolarHBondContact N-O 2.89Å; Y385-Y403 PolarHBondContact O-N 3.17Å; F401-Y403 HydrophobicContact CB-CE2 4.01Å; Y403-V405 PolarHBondContact O-N 2.74Å |
| 404 | D | 95.1 | Very high | 92.2 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 103.1 | 168.6 | 163.8 | 44.3 | 0 | 0 | 0 | 108.8 | S324 S325 Y326 | S324-D404 PolarHBondContact O-N 3.22Å; S325-D404 CarbonylContact C-O 3.48Å; S325-D404 VanDerWaalsContact CA-O 3.29Å; S325-D404 WeakPolarHBondContact CA-O 3.47Å; S325-D404 WeakPolarHBondContact CB-OD2 3.13Å; S325-D404 PolarHBondContact OG-OD2 3.08Å; Y326-D404 PolarHBondContact N-O 3.01Å |
| 405 | V | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 111.2 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | Y326 I328 L339 L373 V381 S382 G383 Y385 Y403 | Y326-V405 HydrophobicContact CD2-CG2 4.37Å; I328-V405 HydrophobicContact CD1-CG1 4.13Å; L339-V405 HydrophobicContact CD2-CG2 4.13Å; L373-V405 HydrophobicContact CD1-CG1 4.31Å; V381-V405 HydrophobicContact CG1-CG1 4.48Å; S382-V405 CarbonylContact C-O 3.55Å; S382-V405 VanDerWaalsContact CA-O 3.24Å; S382-V405 WeakPolarHBondContact CA-O 2.99Å; S382-V405 PolarHBondContact OG-O 2.82Å; S382-V405 VanDerWaalsContact OG-O 3.07Å; G383-V405 PolarHBondContact N-O 2.63Å; G383-V405 PolarHBondContact O-N 2.8Å; Y385-V405 HydrophobicContact CD2-CB 3.92Å; Y385-V405 HydrophobicContact CD2-CG2 3.55Å; Y385-V405 HydrophobicContact CE2-CB 3.9Å; Y385-V405 HydrophobicContact CE2-CG1 4.4Å; Y385-V405 HydrophobicContact CE2-CG2 3.88Å; Y385-V405 HydrophobicContact CG-CG2 4.5Å; Y403-V405 PolarHBondContact O-N 2.74Å |
| 406 | K | 92.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 23% | 0.226 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.6 | -177.6 | -166.3 | -178.9 | -177.3 | 177.2 | 0 | 111.1 | Y326 V327 I328 S382 V408 W441 Y516 | Y326-K406 PolarHBondContact O-N 3.1Å; V327-K406 CarbonylContact C-O 3.5Å; V327-K406 WeakPolarHBondContact CA-O 3.15Å; I328-K406 PolarHBondContact N-O 3.07Å; S382-K406 WeakPolarHBondContact OG-CA 2.92Å; K406-V408 HydrophobicContact CD-CG1 4.02Å; K406-V408 HydrophobicContact CG-CG1 3.85Å; K406-W441 HydrophobicContact CG-CH2 4.45Å; K406-Y516 PolarHBondContact NZ-OH 2.73Å |
| 407 | V | 92.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.4 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | I328 K330 I377 V381 S382 W441 | I328-V407 CarbonylContact O-C 3.49Å; I328-V407 WeakPolarHBondContact O-CA 3.4Å; K330-V407 HydrophobicContact CB-CG1 4Å; I377-V407 HydrophobicContact CG2-CB 4.41Å; I377-V407 HydrophobicContact CG2-CG1 3.77Å; I377-V407 HydrophobicContact CG2-CG2 3.7Å; V381-V407 HydrophobicContact CB-CG2 4.14Å; S382-V407 PolarHBondContact OG-N 3.3Å; V407-W441 VanDerWaalsContact O-CZ2 3.3Å; V407-W441 WeakPolarHBondContact O-CZ2 3.39Å |
| 408 | V | 91 | Very high | 92.8 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 162.4 | -173 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | V327 I328 N329 K330 K406 W441 Y516 | V327-V408 HydrophobicContact CG1-CB 4.42Å; V327-V408 HydrophobicContact CG1-CG1 4.01Å; V327-V408 HydrophobicContact CG1-CG2 3.48Å; V327-V408 VanDerWaalsContact CG1-CG2 3.48Å; I328-V408 PolarHBondContact O-N 2.85Å; N329-V408 CarbonylContact C-O 3.56Å; N329-V408 WeakPolarHBondContact CA-O 3.29Å; K330-V408 WeakPolarHBondContact CB-O 3.37Å; K330-V408 PolarHBondContact N-O 2.93Å; K406-V408 HydrophobicContact CD-CG1 4.02Å; K406-V408 HydrophobicContact CG-CG1 3.85Å; V408-W441 HydrophobicContact CG1-CZ2 4.16Å; V408-Y516 HydrophobicContact CB-CD1 4.07Å; V408-Y516 HydrophobicContact CB-CD2 3.88Å; V408-Y516 HydrophobicContact CB-CE1 4.46Å; V408-Y516 HydrophobicContact CB-CE2 4.28Å; V408-Y516 HydrophobicContact CB-CG 3.77Å; V408-Y516 HydrophobicContact CG1-CD1 4.08Å; V408-Y516 HydrophobicContact CG1-CD2 3.82Å; V408-Y516 HydrophobicContact CG1-CE1 3.97Å; V408-Y516 HydrophobicContact CG1-CE2 3.69Å; V408-Y516 HydrophobicContact CG1-CG 4.02Å; V408-Y516 HydrophobicContact CG2-CD1 3.88Å; V408-Y516 HydrophobicContact CG2-CE1 4.41Å; V408-Y516 HydrophobicContact CG2-CG 3.97Å |
| 409 | S | 88 | Confident | 92.6 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 12% | 0.119 | 18% | 0.177 | C | C | . | . | trans | -148 | 161.4 | 168.3 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 410 | P | 89 | Confident | 92.1 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | trans | -51.8 | 152.2 | 157.7 | -23.1 | 33.7 | 0 | 0 | 0 | 110.6 | Q53 | Q53-P410 HydrophobicContact CB-CB 4.46Å; Q53-P410 HydrophobicContact CB-CG 4.22Å | ||
| 411 | P | 92.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -65.2 | 156.7 | 168.6 | 30.5 | -33.9 | 0 | 0 | 0 | 110.2 | T443 L512 G517 S519 | P411-T443 HydrophobicContact CB-CG2 3.66Å; P411-T443 WeakPolarHBondContact CB-OG1 3.42Å; P411-T443 HydrophobicContact CG-CG2 4.02Å; P411-L512 HydrophobicContact CB-CB 3.82Å; P411-L512 HydrophobicContact CB-CD1 4.24Å; P411-L512 HydrophobicContact CG-CB 3.65Å; P411-G517 VanDerWaalsContact CD-O 3.23Å; P411-G517 WeakPolarHBondContact CD-O 3.29Å; P411-S519 WeakPolarHBondContact O-CB 3.15Å | ||
| 412 | F | 91.7 | Very high | 91.2 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 31% | 0.311 | 19% | 0.19 | S | C | . | . | trans | -149.7 | 149.1 | -178 | 66.7 | -83.2 | 0 | 0 | 0 | 112.1 | T52 F437 D438 | T52-F412 HydrophobicContact CG2-CB 3.95Å; F412-F437 WeakPolarHBondContact O-CA 3.29Å; F412-F437 WeakPolarHBondContact O-CB 3.42Å; F412-D438 HydrophobicContact CD1-CB 3.93Å; F412-D438 HydrophobicContact CE1-CB 3.46Å; F412-D438 VanDerWaalsContact CE1-CB 3.46Å; F412-D438 WeakPolarHBondContact CE1-OD2 3.29Å; F412-D438 HydrophobicContact CZ-CB 3.78Å; F412-D438 PolarHBondContact O-N 3.32Å | ||
| 413 | F | 93.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 133.6 | 169.4 | -57.8 | -82.6 | 0 | 0 | 0 | 110.4 | D415 C435 E436 F437 I510 L512 S519 I521 | F413-D415 VanDerWaalsContact C-N 3.33Å; F413-D415 PolarHBondContact O-N 2.78Å; F413-C435 HydrophobicContact CD1-CB 4.04Å; F413-C435 HydrophobicContact CE1-CB 4.28Å; F413-E436 CarbonylContact C-O 3.54Å; F413-E436 WeakPolarHBondContact CA-O 3.45Å; F413-F437 HydrophobicContact CD1-CB 4.32Å; F413-I510 HydrophobicContact CE1-CB 4.38Å; F413-I510 HydrophobicContact CE1-CG2 3.83Å; F413-I510 HydrophobicContact CZ-CB 4.15Å; F413-I510 HydrophobicContact CZ-CG2 3.84Å; F413-L512 HydrophobicContact CD1-CD1 3.95Å; F413-L512 HydrophobicContact CD1-CG 4.41Å; F413-L512 HydrophobicContact CD2-CD1 4.02Å; F413-L512 HydrophobicContact CE1-CD1 3.84Å; F413-L512 HydrophobicContact CE1-CD2 3.92Å; F413-L512 HydrophobicContact CE1-CG 3.78Å; F413-L512 HydrophobicContact CE2-CD1 3.89Å; F413-L512 HydrophobicContact CE2-CG 3.93Å; F413-L512 HydrophobicContact CG-CD1 4.06Å; F413-L512 HydrophobicContact CZ-CD1 3.81Å; F413-L512 HydrophobicContact CZ-CD2 4.05Å; F413-L512 HydrophobicContact CZ-CG 3.52Å; F413-S519 VanDerWaalsContact CD2-OG 3.31Å; F413-S519 WeakPolarHBondContact CD2-OG 3.31Å; F413-S519 WeakPolarHBondContact CE2-OG 3.43Å; F413-I521 HydrophobicContact CD1-CD1 3.75Å; F413-I521 HydrophobicContact CD2-CD1 3.89Å; F413-I521 HydrophobicContact CD2-CG1 4.12Å; F413-I521 HydrophobicContact CD2-CG2 3.76Å; F413-I521 HydrophobicContact CE1-CD1 3.68Å; F413-I521 HydrophobicContact CE1-CG1 4.1Å; F413-I521 HydrophobicContact CE2-CB 4.21Å; F413-I521 HydrophobicContact CE2-CD1 3.85Å; F413-I521 HydrophobicContact CE2-CG1 3.65Å; F413-I521 HydrophobicContact CE2-CG2 3.84Å; F413-I521 HydrophobicContact CG-CD1 3.84Å; F413-I521 HydrophobicContact CZ-CD1 3.73Å; F413-I521 HydrophobicContact CZ-CG1 3.62Å |
| 414 | K | 92.8 | Very high | 90.5 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -66.5 | -37.1 | -179.8 | -59.5 | -171.7 | -156.1 | 165.5 | 0 | 112 | E436 N490 | K414-E436 HydrophobicContact CB-CB 4.22Å; K414-E436 HydrophobicContact CD-CB 3.86Å; K414-E436 WeakPolarHBondContact CD-OE2 3.19Å; K414-E436 WeakPolarHBondContact CE-OE2 3.49Å; K414-E436 HydrophobicContact CG-CB 4.1Å; K414-E436 PolarHBondContact N-O 2.71Å; K414-E436 IonicContact NZ-OE2 3.76Å; K414-E436 PolarHBondContact NZ-OE2 2.63Å; K414-N490 PolarHBondContact NZ-OD1 3.37Å |
| 415 | D | 92.3 | Very high | 90.2 | Very high | 58 Ų | 58 | 36 Ų | 36 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | trans | -132.5 | 104.9 | 165 | -170.6 | -8.6 | 0 | 0 | 0 | 109 | F413 R417 C418 | F413-D415 VanDerWaalsContact C-N 3.33Å; F413-D415 PolarHBondContact O-N 2.78Å; D415-R417 PolarHBondContact O-N 3.36Å; D415-R417 VanDerWaalsContact O-N 3.09Å; D415-R417 WeakPolarHBondContact OD1-CB 3.42Å; D415-R417 VanDerWaalsContact OD1-CG 3.23Å; D415-R417 WeakPolarHBondContact OD1-CG 3.02Å; D415-R417 IonicContact OD1-CZ 2.8Å; D415-R417 PolarHBondContact OD1-N 2.77Å; D415-R417 IonicContact OD1-NE 3.76Å; D415-R417 PolarHBondContact OD1-NE 2.92Å; D415-R417 IonicContact OD1-NH2 3.23Å; D415-R417 IonicContact OD2-CZ 2.73Å; D415-R417 VanDerWaalsContact OD2-CZ 3.32Å; D415-R417 IonicContact OD2-NE 2.82Å; D415-R417 PolarHBondContact OD2-NE 3.17Å; D415-R417 VanDerWaalsContact OD2-NE 3.15Å; D415-R417 IonicContact OD2-NH2 3.66Å; D415-R417 PolarHBondContact OD2-NH2 2.75Å; D415-C418 PolarHBondContact O-N 3.34Å; D415-C418 PolarHBondContact O-SG 3.25Å | ||
| 416 | P | 88.5 | Confident | 90 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 25% | 0.253 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -64.7 | -13.1 | 179.2 | 27.7 | -34.8 | 0 | 0 | 0 | 112.7 | N51 C418 I521 | N51-P416 HydrophobicContact CB-CB 4.35Å; N51-P416 WeakPolarHBondContact ND2-CG 3.41Å; P416-C418 PolarHBondContact O-N 3.08Å; P416-I521 HydrophobicContact CB-CG2 4.04Å |
| 417 | R | 88.6 | Confident | 89.9 | Confident | 162 Ų | 162 | 36.7 Ų | 36.7 | 61% | 0.611 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -76.7 | -0.8 | 177.5 | -50.9 | 171.7 | -61.6 | 165.9 | 8.3 | 113.1 | D415 L419 K420 | D415-R417 PolarHBondContact O-N 3.36Å; D415-R417 VanDerWaalsContact O-N 3.09Å; D415-R417 WeakPolarHBondContact OD1-CB 3.42Å; D415-R417 VanDerWaalsContact OD1-CG 3.23Å; D415-R417 WeakPolarHBondContact OD1-CG 3.02Å; D415-R417 IonicContact OD1-CZ 2.8Å; D415-R417 PolarHBondContact OD1-N 2.77Å; D415-R417 IonicContact OD1-NE 3.76Å; D415-R417 PolarHBondContact OD1-NE 2.92Å; D415-R417 IonicContact OD1-NH2 3.23Å; D415-R417 IonicContact OD2-CZ 2.73Å; D415-R417 VanDerWaalsContact OD2-CZ 3.32Å; D415-R417 IonicContact OD2-NE 2.82Å; D415-R417 PolarHBondContact OD2-NE 3.17Å; D415-R417 VanDerWaalsContact OD2-NE 3.15Å; D415-R417 IonicContact OD2-NH2 3.66Å; D415-R417 PolarHBondContact OD2-NH2 2.75Å; R417-L419 PolarHBondContact O-N 2.9Å; R417-K420 HydrophobicContact CB-CD 4.43Å; R417-K420 WeakPolarHBondContact O-CD 3.33Å; R417-K420 WeakPolarHBondContact O-CE 3.37Å |
| 418 | C | 90.7 | Very high | 89.6 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -58.2 | -28 | 168.3 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | D415 P416 T433 V434 C435 | D415-C418 PolarHBondContact O-N 3.34Å; D415-C418 PolarHBondContact O-SG 3.25Å; P416-C418 PolarHBondContact O-N 3.08Å; C418-T433 PolarHBondContact O-OG1 2.74Å; C418-V434 WeakPolarHBondContact CB-O 3.31Å; C418-C435 HydrophobicContact CB-CB 3.89Å; C418-C435 WeakPolarHBondContact CB-SG 3.23Å; C418-C435 VanDerWaalsContact SG-CA 3.57Å; C418-C435 WeakPolarHBondContact SG-CB 3.46Å; C418-C435 CovalentContact SG-SG 2.03Å; C418-C435 PolarHBondContact SG-SG 3.21Å |
| 419 | L | 90 | Very high | 89.5 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -116.7 | 99.1 | 172.4 | -156 | 69.8 | 0 | 0 | 0 | 108.2 | R417 F431 T433 L508 I510 I521 T523 | R417-L419 PolarHBondContact O-N 2.9Å; L419-F431 HydrophobicContact CD1-CZ 4.5Å; L419-T433 HydrophobicContact CD1-CG2 3.91Å; L419-L508 HydrophobicContact CD1-CD2 4.29Å; L419-I510 HydrophobicContact CD1-CD1 4.49Å; L419-I510 HydrophobicContact CD2-CD1 4.28Å; L419-I510 HydrophobicContact CD2-CG1 4.15Å; L419-I521 HydrophobicContact CB-CD1 3.67Å; L419-I521 HydrophobicContact CB-CG1 4.04Å; L419-I521 HydrophobicContact CD2-CB 4.44Å; L419-I521 HydrophobicContact CD2-CD1 4.34Å; L419-I521 HydrophobicContact CD2-CG1 3.87Å; L419-T523 HydrophobicContact CD1-CG2 3.72Å; L419-T523 HydrophobicContact CD2-CG2 4.24Å; L419-T523 HydrophobicContact CG-CG2 3.84Å |
| 420 | K | 86.4 | Confident | 89.6 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -73.4 | 154.5 | -179.6 | -57.7 | -70.3 | 172.1 | 108.8 | 0 | 110.7 | R417 L422 F423 T523 E700 | R417-K420 HydrophobicContact CB-CD 4.43Å; R417-K420 WeakPolarHBondContact O-CD 3.33Å; R417-K420 WeakPolarHBondContact O-CE 3.37Å; K420-L422 PolarHBondContact O-N 2.98Å; K420-F423 HydrophobicContact CB-CD2 4.37Å; K420-F423 HydrophobicContact CB-CE1 4.25Å; K420-F423 HydrophobicContact CB-CE2 3.77Å; K420-F423 HydrophobicContact CB-CZ 3.7Å; K420-F423 HydrophobicContact CG-CE1 4.12Å; K420-F423 HydrophobicContact CG-CE2 4.16Å; K420-F423 HydrophobicContact CG-CZ 3.6Å; K420-T523 WeakPolarHBondContact O-CB 3.47Å; K420-T523 PolarHBondContact O-OG1 2.7Å; K420-E700 HydrophobicContact CB-CB 4.39Å; K420-E700 HydrophobicContact CD-CG 4.48Å; K420-E700 VanDerWaalsContact CE-OE2 3.29Å; K420-E700 WeakPolarHBondContact CE-OE2 3.26Å; K420-E700 HydrophobicContact CG-CB 4.12Å; K420-E700 HydrophobicContact CG-CG 4.15Å; K420-E700 WeakPolarHBondContact CG-OE2 3.25Å; K420-E700 IonicContact NZ-OE1 3.74Å; K420-E700 PolarHBondContact NZ-OE1 2.88Å; K420-E700 IonicContact NZ-OE2 3.96Å; K420-E700 PolarHBondContact NZ-OE2 3.02Å | ||
| 421 | E | 84.9 | Confident | 89.7 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -58.6 | -33.9 | -174.4 | -59 | 163.5 | 161.1 | 0 | 0 | 113.2 | K22 S524 | K22-E421 HydrophobicContact CD-CB 4.35Å; K22-E421 VanDerWaalsContact CD-CD 3.48Å; K22-E421 HydrophobicContact CD-CG 4.18Å; K22-E421 WeakPolarHBondContact CD-OE2 3.24Å; K22-E421 WeakPolarHBondContact CE-OE1 3.34Å; K22-E421 WeakPolarHBondContact CE-OE2 3.41Å; K22-E421 IonicContact NZ-OE1 3.31Å; K22-E421 PolarHBondContact NZ-OE1 3.5Å; K22-E421 IonicContact NZ-OE2 3.46Å; K22-E421 PolarHBondContact NZ-OE2 2.78Å; E421-S524 PolarHBondContact O-N 3.01Å |
| 422 | L | 88.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 128.8 | -179.9 | 177.3 | 66.2 | 0 | 0 | 0 | 110.5 | Y20 K420 Y424 S524 K526 A699 E700 | Y20-L422 HydrophobicContact CD1-CD1 4.09Å; Y20-L422 HydrophobicContact CD1-CD2 3.75Å; Y20-L422 HydrophobicContact CD1-CG 4.35Å; Y20-L422 HydrophobicContact CD2-CB 4.44Å; Y20-L422 HydrophobicContact CE1-CB 4.42Å; Y20-L422 HydrophobicContact CE1-CD2 3.68Å; Y20-L422 HydrophobicContact CE2-CB 4.33Å; Y20-L422 HydrophobicContact CG-CD1 4.05Å; Y20-L422 HydrophobicContact CG-CD2 4.45Å; K420-L422 PolarHBondContact O-N 2.98Å; L422-Y424 HydrophobicContact CD1-CD1 4.23Å; L422-Y424 HydrophobicContact CD1-CE1 3.84Å; L422-Y424 HydrophobicContact CD2-CD1 4.47Å; L422-Y424 HydrophobicContact CD2-CE1 3.73Å; L422-Y424 HydrophobicContact CG-CD1 4.23Å; L422-Y424 HydrophobicContact CG-CE1 3.9Å; L422-S524 WeakPolarHBondContact CA-O 3.3Å; L422-K526 HydrophobicContact CD1-CG 3.88Å; L422-A699 HydrophobicContact CD2-CB 3.72Å; L422-A699 HydrophobicContact CG-CB 4.05Å; L422-E700 PolarHBondContact O-N 2.82Å |
| 423 | F | 89.1 | Confident | 89.7 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.7 | 168.5 | -78.7 | -73.2 | 0 | 0 | 0 | 112 | K420 F431 T523 S524 L525 K526 E700 | K420-F423 HydrophobicContact CB-CD2 4.37Å; K420-F423 HydrophobicContact CB-CE1 4.25Å; K420-F423 HydrophobicContact CB-CE2 3.77Å; K420-F423 HydrophobicContact CB-CZ 3.7Å; K420-F423 HydrophobicContact CG-CE1 4.12Å; K420-F423 HydrophobicContact CG-CE2 4.16Å; K420-F423 HydrophobicContact CG-CZ 3.6Å; F423-F431 HydrophobicContact CB-CE2 4.07Å; F423-F431 AromaticContact CD1-CE2 3.95Å; F423-F431 HydrophobicContact CD1-CE2 3.95Å; F423-F431 AromaticContact CD2-CE2 3.55Å; F423-F431 HydrophobicContact CD2-CE2 3.55Å; F423-F431 AromaticContact CD2-CZ 3.74Å; F423-F431 HydrophobicContact CD2-CZ 3.74Å; F423-F431 HydrophobicContact CE1-CE2 4.24Å; F423-F431 AromaticContact CE2-CE2 3.85Å; F423-F431 HydrophobicContact CE2-CE2 3.85Å; F423-F431 AromaticContact CE2-CZ 3.82Å; F423-F431 HydrophobicContact CE2-CZ 3.82Å; F423-F431 HydrophobicContact CG-CD2 4.48Å; F423-F431 AromaticContact CG-CE2 3.6Å; F423-F431 HydrophobicContact CG-CE2 3.6Å; F423-F431 HydrophobicContact CG-CZ 4.28Å; F423-F431 HydrophobicContact CZ-CE2 4.19Å; F423-F431 HydrophobicContact CZ-CZ 4.43Å; F423-T523 HydrophobicContact CD2-CG2 4.19Å; F423-T523 WeakPolarHBondContact CD2-OG1 3.5Å; F423-S524 PolarHBondContact N-O 3.18Å; F423-L525 HydrophobicContact CB-CD1 4.03Å; F423-K526 PolarHBondContact O-N 3.02Å; F423-E700 VanDerWaalsContact CA-O 3.3Å; F423-E700 WeakPolarHBondContact CA-O 3.29Å; F423-E700 HydrophobicContact CD1-CB 4.02Å; F423-E700 WeakPolarHBondContact CD1-O 3.33Å; F423-E700 HydrophobicContact CE1-CB 3.79Å |
| 424 | Y | 89.3 | Confident | 89.8 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.4 | 168 | -70.6 | -10.3 | 0 | 0 | 0 | 109.9 | L422 K526 V528 F569 I571 V694 A699 E700 F701 | L422-Y424 HydrophobicContact CD1-CD1 4.23Å; L422-Y424 HydrophobicContact CD1-CE1 3.84Å; L422-Y424 HydrophobicContact CD2-CD1 4.47Å; L422-Y424 HydrophobicContact CD2-CE1 3.73Å; L422-Y424 HydrophobicContact CG-CD1 4.23Å; L422-Y424 HydrophobicContact CG-CE1 3.9Å; Y424-K526 HydrophobicContact CD1-CB 4.01Å; Y424-K526 HydrophobicContact CD1-CG 4.48Å; Y424-K526 HydrophobicContact CE1-CB 4.2Å; Y424-K526 HydrophobicContact CE1-CG 4.31Å; Y424-V528 HydrophobicContact CG-CG2 4.15Å; Y424-F569 HydrophobicContact CD1-CD1 4.47Å; Y424-F569 HydrophobicContact CE1-CD1 4.13Å; Y424-F569 HydrophobicContact CE2-CB 4.18Å; Y424-F569 VanDerWaalsContact CE2-O 3.24Å; Y424-F569 WeakPolarHBondContact CE2-O 3.47Å; Y424-F569 VanDerWaalsContact CZ-O 3.3Å; Y424-F569 WeakPolarHBondContact OH-CA 3.34Å; Y424-F569 PolarHBondContact OH-O 2.85Å; Y424-I571 HydrophobicContact CD2-CD1 4.35Å; Y424-I571 HydrophobicContact CE2-CD1 4.39Å; Y424-I571 HydrophobicContact CE2-CG1 4.37Å; Y424-V694 HydrophobicContact CD2-CG2 3.71Å; Y424-V694 HydrophobicContact CE2-CG1 4.39Å; Y424-V694 HydrophobicContact CE2-CG2 3.77Å; Y424-A699 HydrophobicContact CD1-CB 4.29Å; Y424-A699 HydrophobicContact CD2-CB 3.75Å; Y424-A699 HydrophobicContact CE1-CB 4.29Å; Y424-A699 HydrophobicContact CE2-CB 3.73Å; Y424-A699 HydrophobicContact CG-CB 4.03Å; Y424-E700 PolarHBondContact N-O 2.98Å; Y424-F701 WeakPolarHBondContact O-CB 3.39Å |
| 425 | V | 88.6 | Confident | 89.9 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.9 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | N429 F431 L500 L525 K526 V527 V528 | V425-N429 HydrophobicContact CG1-CB 3.81Å; V425-F431 HydrophobicContact CG2-CB 4.25Å; V425-F431 HydrophobicContact CG2-CD2 4.01Å; V425-L500 HydrophobicContact CB-CD1 4.13Å; V425-L500 HydrophobicContact CG1-CD1 3.85Å; V425-L500 HydrophobicContact CG2-CD1 4.47Å; V425-L525 HydrophobicContact CB-CD1 4.37Å; V425-L525 HydrophobicContact CG2-CD1 3.67Å; V425-K526 PolarHBondContact N-O 2.71Å; V425-K526 VanDerWaalsContact N-O 3.08Å; V425-V527 CarbonylContact O-C 3.58Å; V425-V527 WeakPolarHBondContact O-CA 3.39Å; V425-V528 PolarHBondContact O-N 2.91Å |
| 426 | M | 89.5 | Confident | 90 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.054 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 144.5 | 176.3 | -60 | -58.7 | -57.3 | 0 | 0 | 110.5 | G428 N429 V528 P529 L692 I729 Y730 | M426-G428 PolarHBondContact O-N 2.83Å; M426-N429 WeakPolarHBondContact O-CB 3.23Å; M426-N429 PolarHBondContact O-N 3.31Å; M426-N429 VanDerWaalsContact O-N 3.09Å; M426-V528 CarbonylContact C-O 3.49Å; M426-V528 WeakPolarHBondContact CA-O 3.28Å; M426-V528 HydrophobicContact CE-CB 4.36Å; M426-V528 HydrophobicContact CE-CG1 3.97Å; M426-V528 HydrophobicContact SD-CB 3.82Å; M426-V528 HydrophobicContact SD-CG1 3.73Å; M426-P529 WeakPolarHBondContact CE-O 3.47Å; M426-L692 HydrophobicContact CE-CD1 3.95Å; M426-L692 HydrophobicContact SD-CD1 4.43Å; M426-I729 HydrophobicContact SD-CD1 4.12Å; M426-Y730 HydrophobicContact CE-CD2 4.05Å; M426-Y730 HydrophobicContact CE-CG 4.36Å; M426-Y730 HydrophobicContact CG-CD2 4.28Å; M426-Y730 HydrophobicContact SD-CD2 4.5Å |
| 427 | E | 90.9 | Very high | 90.3 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 139.1 | 171.6 | 172.7 | 170.2 | -131.3 | 0 | 0 | 111.6 | N429 L500 L502 V527 V528 K530 | E427-N429 PolarHBondContact O-N 3.29Å; E427-L500 WeakPolarHBondContact CA-O 3.24Å; E427-L502 HydrophobicContact CG-CG 4.48Å; E427-L502 WeakPolarHBondContact OE1-CD1 3.22Å; E427-L502 WeakPolarHBondContact OE1-CG 3.27Å; E427-L502 PolarHBondContact OE1-N 3.05Å; E427-L502 WeakPolarHBondContact OE2-CD1 3.15Å; E427-V527 HydrophobicContact CB-CG1 4.12Å; E427-V528 PolarHBondContact N-O 3.1Å; E427-K530 HydrophobicContact CB-CG 4.32Å; E427-K530 WeakPolarHBondContact O-CE 3.32Å |
| 428 | G | 87 | Confident | 90.3 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -19.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | M426 L500 | M426-G428 PolarHBondContact O-N 2.83Å; G428-L500 PolarHBondContact N-O 2.84Å |
| 429 | N | 88.1 | Confident | 90 | Very high | 66 Ų | 66 | 35.1 Ų | 35.1 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | trans | -78.1 | 169.4 | 178.9 | -68.8 | 5.8 | 0 | 0 | 0 | 112.2 | V425 M426 E427 K499 L500 | V425-N429 HydrophobicContact CG1-CB 3.81Å; M426-N429 WeakPolarHBondContact O-CB 3.23Å; M426-N429 PolarHBondContact O-N 3.31Å; M426-N429 VanDerWaalsContact O-N 3.09Å; E427-N429 PolarHBondContact O-N 3.29Å; N429-K499 PolarHBondContact O-N 2.65Å; N429-L500 PolarHBondContact O-N 2.79Å | ||
| 430 | N | 90.1 | Very high | 89.8 | Confident | 97 Ų | 97 | 36.9 Ų | 36.9 | 52% | 0.519 | 21% | 0.205 | S | C | . | . | trans | -97 | 157.8 | 173.2 | -56.8 | -29.9 | 0 | 0 | 0 | 110.3 | I497 T498 K499 | N430-I497 CarbonylContact C-O 3.56Å; N430-I497 VanDerWaalsContact CA-O 3.3Å; N430-I497 WeakPolarHBondContact CA-O 3.12Å; N430-T498 VanDerWaalsContact OD1-CA 3.26Å; N430-T498 WeakPolarHBondContact OD1-CA 3.38Å; N430-T498 WeakPolarHBondContact OD1-CB 3.47Å; N430-K499 PolarHBondContact OD1-N 2.83Å | ||
| 431 | F | 91.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.9 | 163.8 | 176.1 | -102.2 | 0 | 0 | 0 | 109.5 | L419 F423 V425 T433 N496 I497 L500 L508 L525 | L419-F431 HydrophobicContact CD1-CZ 4.5Å; F423-F431 HydrophobicContact CB-CE2 4.07Å; F423-F431 AromaticContact CD1-CE2 3.95Å; F423-F431 HydrophobicContact CD1-CE2 3.95Å; F423-F431 AromaticContact CD2-CE2 3.55Å; F423-F431 HydrophobicContact CD2-CE2 3.55Å; F423-F431 AromaticContact CD2-CZ 3.74Å; F423-F431 HydrophobicContact CD2-CZ 3.74Å; F423-F431 HydrophobicContact CE1-CE2 4.24Å; F423-F431 AromaticContact CE2-CE2 3.85Å; F423-F431 HydrophobicContact CE2-CE2 3.85Å; F423-F431 AromaticContact CE2-CZ 3.82Å; F423-F431 HydrophobicContact CE2-CZ 3.82Å; F423-F431 HydrophobicContact CG-CD2 4.48Å; F423-F431 AromaticContact CG-CE2 3.6Å; F423-F431 HydrophobicContact CG-CE2 3.6Å; F423-F431 HydrophobicContact CG-CZ 4.28Å; F423-F431 HydrophobicContact CZ-CE2 4.19Å; F423-F431 HydrophobicContact CZ-CZ 4.43Å; V425-F431 HydrophobicContact CG2-CB 4.25Å; V425-F431 HydrophobicContact CG2-CD2 4.01Å; F431-T433 HydrophobicContact CE1-CG2 3.79Å; F431-T433 HydrophobicContact CZ-CG2 4.02Å; F431-N496 CarbonylContact O-C 3.6Å; F431-N496 WeakPolarHBondContact O-CA 3.37Å; F431-I497 HydrophobicContact CB-CB 4.37Å; F431-I497 HydrophobicContact CD1-CD1 4.23Å; F431-I497 HydrophobicContact CD1-CG1 4.45Å; F431-I497 PolarHBondContact N-O 2.94Å; F431-I497 PolarHBondContact O-N 3.25Å; F431-L500 HydrophobicContact CB-CD1 3.82Å; F431-L508 HydrophobicContact CD1-CD2 4.15Å; F431-L508 HydrophobicContact CE1-CD2 3.55Å; F431-L508 HydrophobicContact CZ-CD2 4.4Å; F431-L525 HydrophobicContact CB-CD1 4.42Å; F431-L525 HydrophobicContact CD2-CD1 4.01Å; F431-L525 HydrophobicContact CG-CD1 4.15Å; F431-L525 HydrophobicContact CG-CD2 4.49Å |
| 432 | G | 91.5 | Very high | 89.9 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 140.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V495 N496 | G432-V495 WeakPolarHBondContact CA-O 3.45Å; G432-N496 WeakPolarHBondContact CA-OD1 3.32Å |
| 433 | T | 93 | Very high | 90.1 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.6 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | C418 L419 F431 T494 V495 | C418-T433 PolarHBondContact O-OG1 2.74Å; L419-T433 HydrophobicContact CD1-CG2 3.91Å; F431-T433 HydrophobicContact CE1-CG2 3.79Å; F431-T433 HydrophobicContact CZ-CG2 4.02Å; T433-T494 WeakPolarHBondContact O-CA 3.05Å; T433-V495 HydrophobicContact CG2-CB 4.06Å; T433-V495 PolarHBondContact N-O 2.73Å; T433-V495 PolarHBondContact O-N 3.13Å |
| 434 | V | 94.2 | Very high | 90.3 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | C418 R492 I493 T494 | C418-V434 WeakPolarHBondContact CB-O 3.31Å; V434-R492 HydrophobicContact CG1-CB 4.08Å; V434-R492 HydrophobicContact CG1-CG 4.27Å; V434-I493 WeakPolarHBondContact CA-O 3.42Å; V434-T494 HydrophobicContact CG2-CG2 4.13Å |
| 435 | C | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.1 | 177.7 | -72.2 | 0 | 0 | 0 | 0 | 110.8 | F413 C418 R492 I493 | F413-C435 HydrophobicContact CD1-CB 4.04Å; F413-C435 HydrophobicContact CE1-CB 4.28Å; C418-C435 HydrophobicContact CB-CB 3.89Å; C418-C435 WeakPolarHBondContact CB-SG 3.23Å; C418-C435 VanDerWaalsContact SG-CA 3.57Å; C418-C435 WeakPolarHBondContact SG-CB 3.46Å; C418-C435 CovalentContact SG-SG 2.03Å; C418-C435 PolarHBondContact SG-SG 3.21Å; C435-R492 CarbonylContact O-C 3.5Å; C435-R492 VanDerWaalsContact O-CA 3.22Å; C435-R492 WeakPolarHBondContact O-CA 3.35Å; C435-I493 HydrophobicContact CB-CG2 3.82Å; C435-I493 PolarHBondContact N-O 2.82Å; C435-I493 WeakPolarHBondContact O-CG2 3.48Å; C435-I493 PolarHBondContact O-N 3.38Å |
| 436 | E | 95.4 | Very high | 91 | Very high | 100 Ų | 100 | 43.7 Ų | 43.7 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 143.1 | 170.6 | -70.3 | -171.9 | -150.5 | 0 | 0 | 111.9 | F413 K414 K491 R492 | F413-E436 CarbonylContact C-O 3.54Å; F413-E436 WeakPolarHBondContact CA-O 3.45Å; K414-E436 HydrophobicContact CB-CB 4.22Å; K414-E436 HydrophobicContact CD-CB 3.86Å; K414-E436 WeakPolarHBondContact CD-OE2 3.19Å; K414-E436 WeakPolarHBondContact CE-OE2 3.49Å; K414-E436 HydrophobicContact CG-CB 4.1Å; K414-E436 PolarHBondContact N-O 2.71Å; K414-E436 IonicContact NZ-OE2 3.76Å; K414-E436 PolarHBondContact NZ-OE2 2.63Å; E436-K491 WeakPolarHBondContact CA-O 3.41Å; E436-R492 HydrophobicContact CG-CB 4.18Å |
| 437 | F | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 161.1 | -179.7 | 65.7 | -85.2 | 0 | 0 | 0 | 113.4 | F412 F413 G439 T443 V445 V484 K491 I493 L512 | F412-F437 WeakPolarHBondContact O-CA 3.29Å; F412-F437 WeakPolarHBondContact O-CB 3.42Å; F413-F437 HydrophobicContact CD1-CB 4.32Å; F437-G439 PolarHBondContact O-N 2.03Å; F437-T443 HydrophobicContact CD2-CG2 4.34Å; F437-T443 HydrophobicContact CE2-CG2 4.1Å; F437-V445 HydrophobicContact CE1-CG2 3.82Å; F437-V445 HydrophobicContact CE2-CG2 3.88Å; F437-V445 HydrophobicContact CZ-CG2 3.29Å; F437-V484 HydrophobicContact CE1-CG1 4.26Å; F437-V484 HydrophobicContact CZ-CG1 3.85Å; F437-K491 HydrophobicContact CD1-CB 4.22Å; F437-K491 HydrophobicContact CD2-CB 4.21Å; F437-K491 HydrophobicContact CE1-CB 3.7Å; F437-K491 HydrophobicContact CE2-CB 3.7Å; F437-K491 HydrophobicContact CE2-CD 4.04Å; F437-K491 HydrophobicContact CE2-CG 4.42Å; F437-K491 HydrophobicContact CG-CB 4.46Å; F437-K491 HydrophobicContact CZ-CB 3.4Å; F437-K491 VanDerWaalsContact CZ-CB 3.4Å; F437-K491 HydrophobicContact CZ-CD 3.99Å; F437-K491 HydrophobicContact CZ-CG 4.32Å; F437-K491 PolarHBondContact N-O 3.42Å; F437-K491 PolarHBondContact O-N 2.86Å; F437-I493 HydrophobicContact CD1-CG2 4.16Å; F437-I493 HydrophobicContact CE1-CB 4.18Å; F437-I493 HydrophobicContact CE1-CG2 4.09Å; F437-L512 HydrophobicContact CB-CD1 3.52Å; F437-L512 HydrophobicContact CB-CD2 4.15Å; F437-L512 HydrophobicContact CB-CG 4.48Å; F437-L512 HydrophobicContact CD1-CD2 4.02Å; F437-L512 HydrophobicContact CD2-CD1 4.09Å; F437-L512 HydrophobicContact CD2-CD2 3.67Å; F437-L512 HydrophobicContact CD2-CG 4.48Å; F437-L512 HydrophobicContact CE1-CD2 4.31Å; F437-L512 HydrophobicContact CE2-CD2 3.99Å; F437-L512 HydrophobicContact CG-CD1 3.98Å; F437-L512 HydrophobicContact CG-CD2 3.7Å; F437-L512 HydrophobicContact CG-CG 4.5Å; F437-L512 HydrophobicContact CZ-CD2 4.3Å |
| 438 | D | 89.2 | Confident | 91.4 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | trans | -77.3 | 108.1 | 168.9 | -174 | -10.5 | 0 | 0 | 0 | 109.4 | F412 R440 | F412-D438 HydrophobicContact CD1-CB 3.93Å; F412-D438 HydrophobicContact CE1-CB 3.46Å; F412-D438 VanDerWaalsContact CE1-CB 3.46Å; F412-D438 WeakPolarHBondContact CE1-OD2 3.29Å; F412-D438 HydrophobicContact CZ-CB 3.78Å; F412-D438 PolarHBondContact O-N 3.32Å; D438-R440 VanDerWaalsContact OD1-CB 3.29Å; D438-R440 WeakPolarHBondContact OD1-CB 3.41Å; D438-R440 WeakPolarHBondContact OD1-CG 3.32Å; D438-R440 IonicContact OD1-CZ 2.9Å; D438-R440 PolarHBondContact OD1-N 3.39Å; D438-R440 IonicContact OD1-NE 2.7Å; D438-R440 PolarHBondContact OD1-NE 3.22Å; D438-R440 IonicContact OD2-CZ 3.7Å; D438-R440 VanDerWaalsContact OD2-CZ 3.26Å; D438-R440 IonicContact OD2-NE 3.7Å; D438-R440 PolarHBondContact OD2-NE 2.88Å; D438-R440 IonicContact OD2-NH2 2.88Å; D438-R440 PolarHBondContact OD2-NH2 2.95Å | ||
| 439 | G | 83.4 | Confident | 91.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -90.8 | 8.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F437 E488 K491 | F437-G439 PolarHBondContact O-N 2.03Å; G439-E488 CarbonylContact C-O 3.42Å; G439-E488 WeakPolarHBondContact CA-O 3.38Å; G439-E488 PolarHBondContact N-O 3.28Å; G439-K491 PolarHBondContact O-NZ 2.92Å | ||
| 440 | R | 86.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 169.9 | 176.3 | -72.1 | -176.6 | -69.1 | 177.8 | 2.1 | 112.7 | E379 D438 N442 T443 E488 I489 | E379-R440 IonicContact OE1-CZ 3.26Å; E379-R440 IonicContact OE1-NH1 2.92Å; E379-R440 IonicContact OE1-NH2 3.64Å; E379-R440 PolarHBondContact OE1-NH2 2.88Å; E379-R440 IonicContact OE2-CZ 3.71Å; E379-R440 IonicContact OE2-NH1 2.7Å; E379-R440 PolarHBondContact OE2-NH1 3.29Å; E379-R440 IonicContact OE2-NH2 3.36Å; E379-R440 PolarHBondContact OE2-NH2 2.87Å; D438-R440 VanDerWaalsContact OD1-CB 3.29Å; D438-R440 WeakPolarHBondContact OD1-CB 3.41Å; D438-R440 WeakPolarHBondContact OD1-CG 3.32Å; D438-R440 IonicContact OD1-CZ 2.9Å; D438-R440 PolarHBondContact OD1-N 3.39Å; D438-R440 IonicContact OD1-NE 2.7Å; D438-R440 PolarHBondContact OD1-NE 3.22Å; D438-R440 IonicContact OD2-CZ 3.7Å; D438-R440 VanDerWaalsContact OD2-CZ 3.26Å; D438-R440 IonicContact OD2-NE 3.7Å; D438-R440 PolarHBondContact OD2-NE 2.88Å; D438-R440 IonicContact OD2-NH2 2.88Å; D438-R440 PolarHBondContact OD2-NH2 2.95Å; R440-N442 VanDerWaalsContact C-N 3.28Å; R440-N442 PolarHBondContact O-N 2.88Å; R440-T443 WeakPolarHBondContact O-CB 3.31Å; R440-T443 PolarHBondContact O-N 3.15Å; R440-T443 PolarHBondContact O-OG1 3.29Å; R440-E488 WeakPolarHBondContact CA-OE1 3.19Å; R440-E488 HydrophobicContact CG-CG 4.05Å; R440-E488 PolarHBondContact N-O 3.21Å; R440-I489 HydrophobicContact CG-CG1 4.17Å |
| 441 | W | 85.6 | Confident | 90.7 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 29.8 | 176.3 | -43.3 | 131.4 | 0 | 0 | 0 | 114.8 | K406 V407 V408 T443 Y516 | K406-W441 HydrophobicContact CG-CH2 4.45Å; V407-W441 VanDerWaalsContact O-CZ2 3.3Å; V407-W441 WeakPolarHBondContact O-CZ2 3.39Å; V408-W441 HydrophobicContact CG1-CZ2 4.16Å; W441-T443 VanDerWaalsContact C-N 3.26Å; W441-T443 PolarHBondContact O-N 3.48Å; W441-Y516 HydrophobicContact CB-CD2 3.79Å; W441-Y516 HydrophobicContact CB-CE2 4Å; W441-Y516 AromaticContact CD1-CD2 3.82Å; W441-Y516 AromaticContact CD2-CD2 3.97Å; W441-Y516 HydrophobicContact CD2-CD2 3.97Å; W441-Y516 AromaticContact CD2-CE2 3.87Å; W441-Y516 HydrophobicContact CD2-CE2 3.87Å; W441-Y516 HydrophobicContact CE3-CE2 4.12Å; W441-Y516 AromaticContact CG-CD2 3.57Å; W441-Y516 HydrophobicContact CG-CD2 3.57Å; W441-Y516 AromaticContact CG-CE2 3.85Å; W441-Y516 HydrophobicContact CG-CE2 3.85Å |
| 442 | N | 87.3 | Confident | 90.5 | Very high | 142 Ų | 142 | 35.6 Ų | 35.6 | 76% | 0.759 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 39.8 | -174.8 | -58.8 | -15 | 0 | 0 | 0 | 112.7 | R440 V444 | R440-N442 VanDerWaalsContact C-N 3.28Å; R440-N442 PolarHBondContact O-N 2.88Å; N442-V444 PolarHBondContact O-N 3.29Å |
| 443 | T | 92.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 121.8 | -178.8 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | P411 F437 R440 W441 L512 H513 | P411-T443 HydrophobicContact CB-CG2 3.66Å; P411-T443 WeakPolarHBondContact CB-OG1 3.42Å; P411-T443 HydrophobicContact CG-CG2 4.02Å; F437-T443 HydrophobicContact CD2-CG2 4.34Å; F437-T443 HydrophobicContact CE2-CG2 4.1Å; R440-T443 WeakPolarHBondContact O-CB 3.31Å; R440-T443 PolarHBondContact O-N 3.15Å; R440-T443 PolarHBondContact O-OG1 3.29Å; W441-T443 VanDerWaalsContact C-N 3.26Å; W441-T443 PolarHBondContact O-N 3.48Å; T443-L512 HydrophobicContact CG2-CB 3.93Å; T443-L512 HydrophobicContact CG2-CD2 4.48Å; T443-H513 WeakPolarHBondContact CA-O 3.3Å |
| 444 | V | 93.5 | Very high | 90.6 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 35% | 0.352 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | N442 Y446 P455 H513 | N442-V444 PolarHBondContact O-N 3.29Å; V444-Y446 HydrophobicContact CB-CE2 4.02Å; V444-Y446 HydrophobicContact CG1-CD2 4.16Å; V444-Y446 HydrophobicContact CG1-CE2 3.57Å; V444-P455 HydrophobicContact CG1-CB 4.2Å; V444-H513 PolarHBondContact N-O 3.08Å; V444-H513 PolarHBondContact O-N 3.27Å |
| 445 | V | 96.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.6 | 173.5 | -173.1 | 0 | 0 | 0 | 0 | 109 | F437 P455 V484 I493 I510 L512 | F437-V445 HydrophobicContact CE1-CG2 3.82Å; F437-V445 HydrophobicContact CE2-CG2 3.88Å; F437-V445 HydrophobicContact CZ-CG2 3.29Å; V445-P455 WeakPolarHBondContact O-CA 3.45Å; V445-V484 HydrophobicContact CB-CG2 3.82Å; V445-V484 HydrophobicContact CG1-CG2 4.4Å; V445-V484 HydrophobicContact CG2-CG2 3.63Å; V445-I493 HydrophobicContact CG1-CB 4.16Å; V445-I493 HydrophobicContact CG1-CD1 4.23Å; V445-I493 HydrophobicContact CG1-CG1 3.93Å; V445-I493 HydrophobicContact CG1-CG2 4.37Å; V445-I510 HydrophobicContact CG1-CG2 4Å; V445-L512 HydrophobicContact CG1-CD2 4.34Å; V445-L512 HydrophobicContact CG2-CD2 3.85Å |
| 446 | Y | 95.7 | Very high | 90.7 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.7 | 167.1 | -63.1 | -100.2 | 0 | 0 | 0 | 107.9 | V444 A454 P455 I510 R511 H513 | V444-Y446 HydrophobicContact CB-CE2 4.02Å; V444-Y446 HydrophobicContact CG1-CD2 4.16Å; V444-Y446 HydrophobicContact CG1-CE2 3.57Å; Y446-A454 WeakPolarHBondContact CA-O 3.16Å; Y446-P455 HydrophobicContact CD1-CB 4.28Å; Y446-P455 HydrophobicContact CE1-CB 4.21Å; Y446-P455 HydrophobicContact CE1-CG 4.2Å; Y446-I510 WeakPolarHBondContact O-CA 3.37Å; Y446-R511 PolarHBondContact N-O 2.93Å; Y446-R511 PolarHBondContact O-N 3.04Å; Y446-H513 HydrophobicContact CD2-CB 4.27Å; Y446-H513 HydrophobicContact CE2-CB 4Å |
| 447 | V | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.3 | 167.3 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | E453 A454 I480 F482 I493 V495 L508 S509 | V447-E453 WeakPolarHBondContact O-CA 3.49Å; V447-A454 PolarHBondContact N-O 3.47Å; V447-A454 PolarHBondContact O-N 2.87Å; V447-I480 HydrophobicContact CG1-CD1 4.19Å; V447-F482 HydrophobicContact CB-CD1 3.8Å; V447-F482 HydrophobicContact CB-CD2 4.08Å; V447-F482 HydrophobicContact CB-CE1 3.66Å; V447-F482 HydrophobicContact CB-CE2 3.95Å; V447-F482 HydrophobicContact CB-CG 4Å; V447-F482 HydrophobicContact CB-CZ 3.73Å; V447-F482 HydrophobicContact CG1-CD1 3.97Å; V447-F482 HydrophobicContact CG1-CE1 4.12Å; V447-F482 HydrophobicContact CG1-CG 4.4Å; V447-F482 HydrophobicContact CG2-CB 4.2Å; V447-F482 HydrophobicContact CG2-CD1 4.03Å; V447-F482 HydrophobicContact CG2-CD2 3.58Å; V447-F482 HydrophobicContact CG2-CE1 4.25Å; V447-F482 HydrophobicContact CG2-CE2 3.81Å; V447-F482 HydrophobicContact CG2-CG 3.69Å; V447-F482 HydrophobicContact CG2-CZ 4.14Å; V447-I493 HydrophobicContact CG2-CD1 4.03Å; V447-I493 HydrophobicContact CG2-CG1 4.16Å; V447-V495 HydrophobicContact CG1-CG1 4.28Å; V447-V495 HydrophobicContact CG1-CG2 4.27Å; V447-V495 HydrophobicContact CG2-CG2 4.01Å; V447-L508 HydrophobicContact CG1-CD1 3.89Å; V447-S509 WeakPolarHBondContact CA-O 3.46Å |
| 448 | G | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F452 L508 S509 | G448-F452 CarbonylContact C-O 3.53Å; G448-F452 WeakPolarHBondContact CA-O 3.45Å; G448-L508 WeakPolarHBondContact O-CA 3.27Å; G448-L508 WeakPolarHBondContact O-CD1 3.47Å; G448-S509 PolarHBondContact N-O 2.84Å; G448-S509 PolarHBondContact N-OG 3.44Å; G448-S509 PolarHBondContact O-N 3.04Å |
| 449 | V | 90.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.6 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | S451 F452 L460 I464 L478 I480 C506 E507 L508 | V449-S451 PolarHBondContact O-N 2.75Å; V449-F452 PolarHBondContact N-O 3.46Å; V449-F452 PolarHBondContact O-N 2.86Å; V449-L460 HydrophobicContact CG2-CD2 4.25Å; V449-I464 HydrophobicContact CB-CD1 4.2Å; V449-L478 HydrophobicContact CG1-CD2 3.97Å; V449-L478 HydrophobicContact CG2-CD2 4.05Å; V449-I480 HydrophobicContact CG2-CD1 3.84Å; V449-C506 HydrophobicContact CG1-CB 3.96Å; V449-E507 VanDerWaalsContact CA-O 3.31Å; V449-E507 WeakPolarHBondContact CA-O 3.43Å; V449-L508 HydrophobicContact CG2-CD1 4.22Å |
| 450 | A | 81 | Confident | 91.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 53.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L155 F452 E507 | L155-A450 HydrophobicContact CB-CB 4.33Å; L155-A450 HydrophobicContact CD2-CB 3.85Å; A450-F452 VanDerWaalsContact O-CD2 3.22Å; A450-F452 WeakPolarHBondContact O-CD2 3.19Å; A450-F452 PolarHBondContact O-N 2.75Å; A450-E507 PolarHBondContact N-O 3.41Å |
| 451 | S | 79.8 | Confident | 91.4 | Very high | 59 Ų | 59 | 45 Ų | 45 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -5.5 | -174.4 | -61.8 | 0 | 0 | 0 | 0 | 117.8 | V157 V449 | V157-S451 WeakPolarHBondContact CB-OG 3.46Å; V157-S451 VanDerWaalsContact CG1-OG 3.27Å; V157-S451 WeakPolarHBondContact CG1-OG 3.33Å; V449-S451 PolarHBondContact O-N 2.75Å |
| 452 | F | 87.5 | Confident | 91.5 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 22% | 0.219 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.1 | 170.7 | -60.7 | -78 | 0 | 0 | 0 | 109.4 | G448 V449 A450 L460 I464 N467 L468 | G448-F452 CarbonylContact C-O 3.53Å; G448-F452 WeakPolarHBondContact CA-O 3.45Å; V449-F452 PolarHBondContact N-O 3.46Å; V449-F452 PolarHBondContact O-N 2.86Å; A450-F452 VanDerWaalsContact O-CD2 3.22Å; A450-F452 WeakPolarHBondContact O-CD2 3.19Å; A450-F452 PolarHBondContact O-N 2.75Å; F452-L460 HydrophobicContact CB-CD1 4.37Å; F452-L460 WeakPolarHBondContact O-CD1 3.34Å; F452-I464 HydrophobicContact CB-CG1 4.35Å; F452-N467 HydrophobicContact CD1-CB 4.43Å; F452-N467 HydrophobicContact CE1-CB 3.46Å; F452-N467 VanDerWaalsContact CE1-CB 3.46Å; F452-N467 WeakPolarHBondContact CE1-ND2 3.41Å; F452-N467 HydrophobicContact CZ-CB 3.5Å; F452-L468 HydrophobicContact CD2-CD1 3.93Å; F452-L468 HydrophobicContact CE2-CD1 3.67Å; F452-L468 HydrophobicContact CE2-CD2 4.35Å; F452-L468 HydrophobicContact CE2-CG 3.77Å; F452-L468 HydrophobicContact CZ-CG 4.4Å |
| 453 | E | 91.9 | Very high | 91.5 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.3 | 179.2 | -73 | 178.4 | -176.2 | 0 | 0 | 111.7 | V447 S509 R511 R520 | V447-E453 WeakPolarHBondContact O-CA 3.49Å; E453-S509 PolarHBondContact OE1-OG 2.87Å; E453-R511 IonicContact OE1-NE 3.92Å; E453-R511 IonicContact OE2-CZ 3.26Å; E453-R511 IonicContact OE2-NE 3.18Å; E453-R511 PolarHBondContact OE2-NE 3.29Å; E453-R511 IonicContact OE2-NH2 3.02Å; E453-R511 PolarHBondContact OE2-NH2 2.93Å; E453-R520 IonicContact OE1-CZ 3.41Å; E453-R520 VanDerWaalsContact OE1-CZ 3.24Å; E453-R520 IonicContact OE1-NE 3.59Å; E453-R520 PolarHBondContact OE1-NE 2.89Å; E453-R520 IonicContact OE1-NH2 2.71Å; E453-R520 PolarHBondContact OE1-NH2 3.15Å; E453-R520 IonicContact OE2-NH2 3.01Å |
| 454 | A | 94.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 157.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y446 V447 E459 L460 | Y446-A454 WeakPolarHBondContact CA-O 3.16Å; V447-A454 PolarHBondContact N-O 3.47Å; V447-A454 PolarHBondContact O-N 2.87Å; A454-E459 HydrophobicContact CB-CB 3.77Å; A454-L460 HydrophobicContact CB-CB 3.95Å |
| 455 | P | 94.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -84.3 | -10.1 | 178.2 | 34.7 | -34.1 | 0 | 0 | 0 | 113.7 | V444 V445 Y446 E459 | V444-P455 HydrophobicContact CG1-CB 4.2Å; V445-P455 WeakPolarHBondContact O-CA 3.45Å; Y446-P455 HydrophobicContact CD1-CB 4.28Å; Y446-P455 HydrophobicContact CE1-CB 4.21Å; Y446-P455 HydrophobicContact CE1-CG 4.2Å; P455-E459 WeakPolarHBondContact CG-OE2 3.43Å |
| 456 | T | 95.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -131.7 | 152 | 172 | 71.7 | 0 | 0 | 0 | 0 | 111.6 | Q458 E459 L460 F482 | T456-Q458 VanDerWaalsContact C-N 3.27Å; T456-Q458 PolarHBondContact O-N 2.77Å; T456-E459 WeakPolarHBondContact CB-OE2 3.34Å; T456-E459 WeakPolarHBondContact CG2-OE2 3.49Å; T456-E459 PolarHBondContact N-OE2 3.34Å; T456-E459 PolarHBondContact O-N 2.79Å; T456-E459 WeakPolarHBondContact OG1-CB 3.31Å; T456-E459 VanDerWaalsContact OG1-CG 3.23Å; T456-E459 WeakPolarHBondContact OG1-CG 3.47Å; T456-E459 PolarHBondContact OG1-N 3.45Å; T456-E459 PolarHBondContact OG1-OE2 2.95Å; T456-L460 PolarHBondContact O-N 2.04Å; T456-F482 WeakPolarHBondContact O-CZ 3.39Å |
| 457 | Y | 93.6 | Very high | 89 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.7 | -26.4 | -178.1 | 70 | -96.4 | 0 | 0 | 0 | 112.6 | R461 I481 F482 | Y457-R461 WeakPolarHBondContact O-CG 3.46Å; Y457-R461 PolarHBondContact O-N 2.02Å; Y457-I481 HydrophobicContact CD1-CG2 4.15Å; Y457-I481 HydrophobicContact CE1-CG2 4.18Å; Y457-F482 VanDerWaalsContact CA-CE1 3.44Å; Y457-F482 VanDerWaalsContact N-CZ 3.34Å |
| 458 | Q | 93.8 | Very high | 87.9 | Confident | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 173.9 | -59.1 | 90.2 | -29.3 | 0 | 0 | 110.9 | T456 R461 M462 | T456-Q458 VanDerWaalsContact C-N 3.27Å; T456-Q458 PolarHBondContact O-N 2.77Å; Q458-R461 PolarHBondContact O-N 2.97Å; Q458-M462 WeakPolarHBondContact O-CG 3.32Å; Q458-M462 PolarHBondContact O-N 3Å |
| 459 | E | 93.9 | Very high | 86.3 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 176 | -69.7 | 165.6 | 137.2 | 0 | 0 | 112 | A454 P455 T456 M462 S463 | A454-E459 HydrophobicContact CB-CB 3.77Å; P455-E459 WeakPolarHBondContact CG-OE2 3.43Å; T456-E459 WeakPolarHBondContact CB-OE2 3.34Å; T456-E459 WeakPolarHBondContact CG2-OE2 3.49Å; T456-E459 PolarHBondContact N-OE2 3.34Å; T456-E459 PolarHBondContact O-N 2.79Å; T456-E459 WeakPolarHBondContact OG1-CB 3.31Å; T456-E459 VanDerWaalsContact OG1-CG 3.23Å; T456-E459 WeakPolarHBondContact OG1-CG 3.47Å; T456-E459 PolarHBondContact OG1-N 3.45Å; T456-E459 PolarHBondContact OG1-OE2 2.95Å; E459-M462 HydrophobicContact CB-CE 4.47Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 PolarHBondContact O-N 3.01Å; E459-S463 WeakPolarHBondContact O-CB 3.45Å; E459-S463 PolarHBondContact O-N 2.77Å |
| 460 | L | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -51 | 174.6 | -177.2 | 57.6 | 0 | 0 | 0 | 111.1 | V449 F452 A454 T456 M462 S463 I464 I480 F482 | V449-L460 HydrophobicContact CG2-CD2 4.25Å; F452-L460 HydrophobicContact CB-CD1 4.37Å; F452-L460 WeakPolarHBondContact O-CD1 3.34Å; A454-L460 HydrophobicContact CB-CB 3.95Å; T456-L460 PolarHBondContact O-N 2.04Å; L460-M462 PolarHBondContact O-N 3Å; L460-S463 WeakPolarHBondContact O-CB 3.37Å; L460-S463 PolarHBondContact O-N 2.9Å; L460-S463 VanDerWaalsContact O-N 3.14Å; L460-I464 HydrophobicContact CD1-CD1 4.04Å; L460-I464 HydrophobicContact CD1-CG1 4.41Å; L460-I464 HydrophobicContact CG-CD1 3.92Å; L460-I464 WeakPolarHBondContact O-CG1 3.08Å; L460-I464 PolarHBondContact O-N 2.7Å; L460-I480 HydrophobicContact CD2-CD1 4.05Å; L460-I480 HydrophobicContact CD2-CG2 4.08Å; L460-F482 HydrophobicContact CB-CE1 4.3Å; L460-F482 HydrophobicContact CD2-CE1 3.79Å |
| 461 | R | 89.2 | Confident | 83.3 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.8 | -69.6 | 177.7 | -165.2 | -144.7 | 8.3 | 111.4 | Y457 Q458 S463 I464 D465 D479 I480 | Y457-R461 WeakPolarHBondContact O-CG 3.46Å; Y457-R461 PolarHBondContact O-N 2.02Å; Q458-R461 PolarHBondContact O-N 2.97Å; R461-S463 VanDerWaalsContact C-N 3.28Å; R461-S463 PolarHBondContact O-N 3.41Å; R461-I464 PolarHBondContact O-N 2.99Å; R461-D465 WeakPolarHBondContact O-CB 3.31Å; R461-D465 VanDerWaalsContact O-CG 3.27Å; R461-D465 PolarHBondContact O-N 3.21Å; R461-D479 IonicContact CZ-OD1 2.86Å; R461-D479 VanDerWaalsContact CZ-OD1 3.26Å; R461-D479 IonicContact NH1-OD1 2.66Å; R461-D479 PolarHBondContact NH1-OD1 3.44Å; R461-D479 IonicContact NH2-OD1 3.19Å; R461-D479 PolarHBondContact NH2-OD1 3.07Å; R461-I480 PolarHBondContact NE-O 3.23Å; R461-I480 PolarHBondContact NH2-O 2.92Å |
| 462 | M | 88.4 | Confident | 82.4 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.6 | -34 | 175.6 | -72.4 | -171.4 | -64.4 | 0 | 0 | 113.5 | Q458 E459 L460 K466 | Q458-M462 WeakPolarHBondContact O-CG 3.32Å; Q458-M462 PolarHBondContact O-N 3Å; E459-M462 HydrophobicContact CB-CE 4.47Å; E459-M462 HydrophobicContact CG-CE 4.02Å; E459-M462 PolarHBondContact O-N 3.01Å; L460-M462 PolarHBondContact O-N 3Å; M462-K466 WeakPolarHBondContact O-CB 3.39Å; M462-K466 PolarHBondContact O-N 2.92Å |
| 463 | S | 86.9 | Confident | 81.1 | Confident | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.9 | -43.8 | 176.1 | -163.8 | 0 | 0 | 0 | 0 | 111.7 | E459 L460 R461 N467 | E459-S463 WeakPolarHBondContact O-CB 3.45Å; E459-S463 PolarHBondContact O-N 2.77Å; L460-S463 WeakPolarHBondContact O-CB 3.37Å; L460-S463 PolarHBondContact O-N 2.9Å; L460-S463 VanDerWaalsContact O-N 3.14Å; R461-S463 VanDerWaalsContact C-N 3.28Å; R461-S463 PolarHBondContact O-N 3.41Å; S463-N467 PolarHBondContact O-N 3.39Å; S463-N467 PolarHBondContact O-ND2 2.75Å |
| 464 | I | 84.6 | Confident | 80.1 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.5 | -55.4 | 175 | -71.2 | 167.4 | 0 | 0 | 0 | 110.4 | V449 F452 L460 R461 K466 N467 L468 | V449-I464 HydrophobicContact CB-CD1 4.2Å; F452-I464 HydrophobicContact CB-CG1 4.35Å; L460-I464 HydrophobicContact CD1-CD1 4.04Å; L460-I464 HydrophobicContact CD1-CG1 4.41Å; L460-I464 HydrophobicContact CG-CD1 3.92Å; L460-I464 WeakPolarHBondContact O-CG1 3.08Å; L460-I464 PolarHBondContact O-N 2.7Å; R461-I464 PolarHBondContact O-N 2.99Å; I464-K466 PolarHBondContact O-N 2.91Å; I464-N467 PolarHBondContact O-N 2.77Å; I464-N467 VanDerWaalsContact O-N 3.13Å; I464-L468 HydrophobicContact CG1-CD1 4.5Å; I464-L468 HydrophobicContact CG2-CD1 3.97Å; I464-L468 PolarHBondContact O-N 3.39Å |
| 465 | D | 83.2 | Confident | 79.2 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60 | -31.3 | -176.6 | -71.5 | -17.9 | 0 | 0 | 0 | 113.7 | R461 S476 | R461-D465 WeakPolarHBondContact O-CB 3.31Å; R461-D465 VanDerWaalsContact O-CG 3.27Å; R461-D465 PolarHBondContact O-N 3.21Å; D465-S476 WeakPolarHBondContact OD1-CB 3.22Å |
| 466 | K | 82.4 | Confident | 78.1 | Confident | 163 Ų | 163 | 78 Ų | 78 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.4 | -38.4 | 178.8 | -178 | -178.9 | 177.8 | -173.1 | 0 | 112.4 | M462 I464 | M462-K466 WeakPolarHBondContact O-CB 3.39Å; M462-K466 PolarHBondContact O-N 2.92Å; I464-K466 PolarHBondContact O-N 2.91Å |
| 467 | N | 76.6 | Confident | 77.4 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -104.3 | -42.5 | -167.4 | -62.7 | -60.3 | 0 | 0 | 0 | 113.3 | F452 S463 I464 K469 | F452-N467 HydrophobicContact CD1-CB 4.43Å; F452-N467 HydrophobicContact CE1-CB 3.46Å; F452-N467 VanDerWaalsContact CE1-CB 3.46Å; F452-N467 WeakPolarHBondContact CE1-ND2 3.41Å; F452-N467 HydrophobicContact CZ-CB 3.5Å; S463-N467 PolarHBondContact O-N 3.39Å; S463-N467 PolarHBondContact O-ND2 2.75Å; I464-N467 PolarHBondContact O-N 2.77Å; I464-N467 VanDerWaalsContact O-N 3.13Å; N467-K469 PolarHBondContact O-N 2.9Å; N467-K469 VanDerWaalsContact O-N 3.1Å |
| 468 | L | 72.2 | Confident | 77 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -81.5 | 18.2 | -177.3 | -76.9 | 160.2 | 0 | 0 | 0 | 114 | L155 F452 I464 Y470 | L155-L468 HydrophobicContact CD2-CD2 4.03Å; F452-L468 HydrophobicContact CD2-CD1 3.93Å; F452-L468 HydrophobicContact CE2-CD1 3.67Å; F452-L468 HydrophobicContact CE2-CD2 4.35Å; F452-L468 HydrophobicContact CE2-CG 3.77Å; F452-L468 HydrophobicContact CZ-CG 4.4Å; I464-L468 HydrophobicContact CG1-CD1 4.5Å; I464-L468 HydrophobicContact CG2-CD1 3.97Å; I464-L468 PolarHBondContact O-N 3.39Å; L468-Y470 PolarHBondContact O-N 3.33Å |
| 469 | K | 59.3 | Low | 76.8 | Confident | 139 Ų | 139 | 75.2 Ų | 75.2 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -12.6 | -166.4 | -156.6 | 169.8 | -172.1 | 172.7 | 0 | 115.4 | N467 | N467-K469 PolarHBondContact O-N 2.9Å; N467-K469 VanDerWaalsContact O-N 3.1Å |
| 470 | Y | 54.5 | Low | 76.8 | Confident | 216 Ų | 216 | 71.1 Ų | 71.1 | 85% | 0.847 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | -33.4 | -176.7 | -61.7 | -68.2 | 0 | 0 | 0 | 115 | L468 | L468-Y470 PolarHBondContact O-N 3.33Š|
| 471 | S | 54.4 | Low | 76.9 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -49.3 | -172.7 | 50 | 0 | 0 | 0 | 0 | 113.4 | E154 | E154-S471 WeakPolarHBondContact OE2-CB 3.22Å; E154-S471 PolarHBondContact OE2-OG 2.91Å |
| 472 | K | 60 | Low | 77.2 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | trans | -143.7 | 87.4 | -176.6 | -67 | 177.5 | -175.6 | 176.4 | 0 | 113.5 | D153 L155 Q474 L475 | D153-K472 IonicContact OD2-NZ 3.26Å; D153-K472 PolarHBondContact OD2-NZ 2.65Å; L155-K472 HydrophobicContact CD1-CD 3.35Å; L155-K472 VanDerWaalsContact CD1-NZ 3.34Å; L155-K472 HydrophobicContact CD2-CD 4.32Å; L155-K472 HydrophobicContact CG-CD 3.84Å; K472-Q474 PolarHBondContact O-N 3.09Å; K472-L475 PolarHBondContact O-N 2.98Å | ||
| 473 | Q | 61.5 | Low | 77.5 | Confident | 144 Ų | 144 | 70.1 Ų | 70.1 | 67% | 0.673 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -15.9 | -179.8 | -69.5 | -173.2 | -6.9 | 0 | 0 | 116.1 | S476 | Q473-S476 PolarHBondContact O-OG 3.05Š|
| 474 | Q | 70.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -22.2 | -178.3 | -67.8 | 174.1 | -90.8 | 0 | 0 | 112.3 | K472 Q477 L502 N503 Q504 | K472-Q474 PolarHBondContact O-N 3.09Å; Q474-Q477 PolarHBondContact O-N 3.15Å; Q474-L502 PolarHBondContact NE2-O 2.99Å; Q474-N503 PolarHBondContact OE1-ND2 3.09Å; Q474-Q504 HydrophobicContact CB-CG 4.31Å; Q474-Q504 PolarHBondContact O-NE2 2.84Å |
| 475 | L | 75 | Confident | 78.3 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -83.6 | -25 | 178.2 | -83.1 | 171.6 | 0 | 0 | 0 | 114.8 | L155 K472 Q477 L478 Q504 C506 | L155-L475 HydrophobicContact CD1-CD1 3.39Å; L155-L475 HydrophobicContact CD2-CD1 3.4Å; L155-L475 HydrophobicContact CG-CD1 3.98Å; K472-L475 PolarHBondContact O-N 2.98Å; L475-Q477 PolarHBondContact O-N 3.06Å; L475-Q477 VanDerWaalsContact O-N 3.16Å; L475-L478 HydrophobicContact CD2-CB 4.45Å; L475-L478 HydrophobicContact CD2-CD1 4.37Å; L475-L478 HydrophobicContact CD2-CD2 4.17Å; L475-L478 WeakPolarHBondContact O-CB 3.4Å; L475-L478 PolarHBondContact O-N 3.27Å; L475-Q504 HydrophobicContact CD2-CB 4.34Å; L475-C506 HydrophobicContact CD2-CB 4.15Å |
| 476 | S | 71.5 | Confident | 78.5 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -66.7 | -7 | 165.4 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | D465 Q473 | D465-S476 WeakPolarHBondContact OD1-CB 3.22Å; Q473-S476 PolarHBondContact O-OG 3.05Å |
| 477 | Q | 81 | Confident | 78.5 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -101.8 | 13.4 | 171.3 | -55 | -176.3 | 15.7 | 0 | 0 | 113.2 | Q474 L475 D479 Q504 | Q474-Q477 PolarHBondContact O-N 3.15Å; L475-Q477 PolarHBondContact O-N 3.06Å; L475-Q477 VanDerWaalsContact O-N 3.16Å; Q477-D479 PolarHBondContact O-N 2.85Å; Q477-Q504 PolarHBondContact O-NE2 3.04Å |
| 478 | L | 85.5 | Confident | 78.5 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | trans | -75.9 | 111.7 | -179.3 | -167.6 | 73 | 0 | 0 | 0 | 110.8 | V449 L475 I480 I497 L500 Q504 | V449-L478 HydrophobicContact CG1-CD2 3.97Å; V449-L478 HydrophobicContact CG2-CD2 4.05Å; L475-L478 HydrophobicContact CD2-CB 4.45Å; L475-L478 HydrophobicContact CD2-CD1 4.37Å; L475-L478 HydrophobicContact CD2-CD2 4.17Å; L475-L478 WeakPolarHBondContact O-CB 3.4Å; L475-L478 PolarHBondContact O-N 3.27Å; L478-I480 HydrophobicContact CD2-CB 4.44Å; L478-I480 HydrophobicContact CD2-CG2 4.45Å; L478-I480 PolarHBondContact O-N 3.49Å; L478-I497 HydrophobicContact CD1-CG2 3.62Å; L478-I497 HydrophobicContact CG-CG2 3.93Å; L478-L500 HydrophobicContact CD1-CD2 3.82Å; L478-Q504 HydrophobicContact CD1-CB 4.29Å | ||
| 479 | D | 90.2 | Very high | 78.9 | Confident | 54 Ų | 54 | 77 Ų | 77 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 68.3 | 179.9 | -169.5 | 47.6 | 0 | 0 | 0 | 111.9 | R461 Q477 I497 T498 | R461-D479 IonicContact CZ-OD1 2.86Å; R461-D479 VanDerWaalsContact CZ-OD1 3.26Å; R461-D479 IonicContact NH1-OD1 2.66Å; R461-D479 PolarHBondContact NH1-OD1 3.44Å; R461-D479 IonicContact NH2-OD1 3.19Å; R461-D479 PolarHBondContact NH2-OD1 3.07Å; Q477-D479 PolarHBondContact O-N 2.85Å; D479-I497 WeakPolarHBondContact O-CA 3.3Å; D479-T498 PolarHBondContact O-N 2.67Å; D479-T498 PolarHBondContact OD2-OG1 3.09Å |
| 480 | I | 92.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129 | 176.8 | -175.3 | 165.1 | 0 | 0 | 0 | 111.8 | V447 V449 L460 R461 L478 F482 V495 N496 I497 L508 | V447-I480 HydrophobicContact CG1-CD1 4.19Å; V449-I480 HydrophobicContact CG2-CD1 3.84Å; L460-I480 HydrophobicContact CD2-CD1 4.05Å; L460-I480 HydrophobicContact CD2-CG2 4.08Å; R461-I480 PolarHBondContact NE-O 3.23Å; R461-I480 PolarHBondContact NH2-O 2.92Å; L478-I480 HydrophobicContact CD2-CB 4.44Å; L478-I480 HydrophobicContact CD2-CG2 4.45Å; L478-I480 PolarHBondContact O-N 3.49Å; I480-F482 HydrophobicContact CG1-CD1 4.33Å; I480-V495 HydrophobicContact CD1-CG1 4.06Å; I480-V495 HydrophobicContact CG1-CG1 4.24Å; I480-N496 WeakPolarHBondContact CA-O 3.33Å; I480-I497 HydrophobicContact CB-CG1 4.08Å; I480-I497 HydrophobicContact CD1-CD1 4.16Å; I480-I497 HydrophobicContact CD1-CG1 4.11Å; I480-I497 HydrophobicContact CG1-CG1 3.92Å; I480-L508 HydrophobicContact CD1-CD1 4.06Å |
| 481 | I | 94.6 | Very high | 82.1 | Confident | 67 Ų | 67 | 66.1 Ų | 66.1 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.2 | 175.1 | -57.5 | 177.8 | 0 | 0 | 0 | 108.1 | Y457 N496 | Y457-I481 HydrophobicContact CD1-CG2 4.15Å; Y457-I481 HydrophobicContact CE1-CG2 4.18Å; I481-N496 PolarHBondContact N-O 3.38Å; I481-N496 PolarHBondContact O-N 2.66Å; I481-N496 VanDerWaalsContact O-O 3.11Å |
| 482 | F | 96.3 | Very high | 84 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 5% | 0.053 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.6 | 176.1 | 60.8 | -95.2 | 0 | 0 | 0 | 112.4 | V447 T456 Y457 L460 I480 I493 T494 V495 | V447-F482 HydrophobicContact CB-CD1 3.8Å; V447-F482 HydrophobicContact CB-CD2 4.08Å; V447-F482 HydrophobicContact CB-CE1 3.66Å; V447-F482 HydrophobicContact CB-CE2 3.95Å; V447-F482 HydrophobicContact CB-CG 4Å; V447-F482 HydrophobicContact CB-CZ 3.73Å; V447-F482 HydrophobicContact CG1-CD1 3.97Å; V447-F482 HydrophobicContact CG1-CE1 4.12Å; V447-F482 HydrophobicContact CG1-CG 4.4Å; V447-F482 HydrophobicContact CG2-CB 4.2Å; V447-F482 HydrophobicContact CG2-CD1 4.03Å; V447-F482 HydrophobicContact CG2-CD2 3.58Å; V447-F482 HydrophobicContact CG2-CE1 4.25Å; V447-F482 HydrophobicContact CG2-CE2 3.81Å; V447-F482 HydrophobicContact CG2-CG 3.69Å; V447-F482 HydrophobicContact CG2-CZ 4.14Å; T456-F482 WeakPolarHBondContact O-CZ 3.39Å; Y457-F482 VanDerWaalsContact CA-CE1 3.44Å; Y457-F482 VanDerWaalsContact N-CZ 3.34Å; L460-F482 HydrophobicContact CB-CE1 4.3Å; L460-F482 HydrophobicContact CD2-CE1 3.79Å; I480-F482 HydrophobicContact CG1-CD1 4.33Å; F482-I493 HydrophobicContact CB-CD1 3.98Å; F482-I493 HydrophobicContact CD2-CD1 4.05Å; F482-I493 HydrophobicContact CG-CD1 4.44Å; F482-T494 WeakPolarHBondContact CA-O 3.49Å; F482-T494 WeakPolarHBondContact CB-O 3.32Å; F482-V495 HydrophobicContact CB-CB 4.33Å; F482-V495 HydrophobicContact CB-CG1 4.33Å; F482-V495 HydrophobicContact CB-CG2 3.96Å |
| 483 | H | 95.4 | Very high | 85.7 | Confident | 92 Ų | 92 | 65 Ų | 65 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.1 | 178.4 | 62.2 | -84.3 | 0 | 0 | 0 | 111.8 | I493 T494 | H483-I493 VanDerWaalsContact O-CD1 3.28Å; H483-I493 WeakPolarHBondContact O-CD1 3.33Å; H483-T494 PolarHBondContact N-O 3.48Å; H483-T494 VanDerWaalsContact N-O 3.11Å; H483-T494 PolarHBondContact O-N 3.22Å |
| 484 | V | 94.4 | Very high | 87.4 | Confident | 70 Ų | 70 | 59 Ų | 59 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 130.5 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | F437 V445 K491 R492 I493 | F437-V484 HydrophobicContact CE1-CG1 4.26Å; F437-V484 HydrophobicContact CZ-CG1 3.85Å; V445-V484 HydrophobicContact CB-CG2 3.82Å; V445-V484 HydrophobicContact CG1-CG2 4.4Å; V445-V484 HydrophobicContact CG2-CG2 3.63Å; V484-K491 HydrophobicContact CG1-CB 4.46Å; V484-K491 HydrophobicContact CG1-CD 4.17Å; V484-R492 WeakPolarHBondContact CA-O 3.33Å; V484-I493 HydrophobicContact CG2-CB 4.38Å; V484-I493 HydrophobicContact CG2-CD1 3.97Å |
| 485 | D | 92.5 | Very high | 88.6 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | -180 | 172.5 | 73.7 | -36.2 | 0 | 0 | 0 | 111.6 | K491 R492 | D485-K491 CarbonylContact O-C 3.54Å; D485-K491 VanDerWaalsContact O-CA 3.31Å; D485-K491 WeakPolarHBondContact O-CA 3.37Å; D485-R492 PolarHBondContact N-O 2.8Å; D485-R492 VanDerWaalsContact N-O 3.11Å; D485-R492 PolarHBondContact O-N 2.68Å; D485-R492 WeakPolarHBondContact OD1-CD 3.35Å; D485-R492 WeakPolarHBondContact OD1-CG 3.22Å; D485-R492 IonicContact OD1-CZ 2.67Å; D485-R492 IonicContact OD1-NE 3.24Å; D485-R492 PolarHBondContact OD1-NE 3.49Å; D485-R492 IonicContact OD1-NH2 3.88Å; D485-R492 IonicContact OD2-CZ 2.67Å; D485-R492 IonicContact OD2-NE 2.93Å; D485-R492 PolarHBondContact OD2-NE 2.81Å; D485-R492 IonicContact OD2-NH2 3.83Å; D485-R492 PolarHBondContact OD2-NH2 3.3Å |
| 486 | G | 87.7 | Confident | 89.5 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 52% | 0.515 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 93.2 | 171.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 487 | E | 81.7 | Confident | 90.5 | Very high | 138 Ų | 138 | 56.4 Ų | 56.4 | 65% | 0.645 | 29% | 0.289 | S | S | * | . | trans | -78.6 | 165.5 | -177 | -59.4 | 171.6 | 157.3 | 0 | 0 | 112.3 | I489 N490 K491 | E487-I489 PolarHBondContact O-N 3.38Å; E487-I489 VanDerWaalsContact O-N 3.15Å; E487-N490 HydrophobicContact CB-CB 4.49Å; E487-N490 CarbonylContact O-C 3.59Å; E487-N490 WeakPolarHBondContact O-CA 3.35Å; E487-N490 PolarHBondContact O-N 2.92Å; E487-K491 WeakPolarHBondContact O-CG 3.48Å; E487-K491 PolarHBondContact O-N 2.97Å | ||
| 488 | E | 78.1 | Confident | 91 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -44.6 | -170.7 | -167.4 | -179 | 172.5 | 0 | 0 | 114.7 | G439 R440 | G439-E488 CarbonylContact C-O 3.42Å; G439-E488 WeakPolarHBondContact CA-O 3.38Å; G439-E488 PolarHBondContact N-O 3.28Å; R440-E488 WeakPolarHBondContact CA-OE1 3.19Å; R440-E488 HydrophobicContact CG-CG 4.05Å; R440-E488 PolarHBondContact N-O 3.21Å |
| 489 | I | 80.7 | Confident | 91.1 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -18.2 | 179.3 | -59.9 | 169 | 0 | 0 | 0 | 111.7 | R440 E487 | R440-I489 HydrophobicContact CG-CG1 4.17Å; E487-I489 PolarHBondContact O-N 3.38Å; E487-I489 VanDerWaalsContact O-N 3.15Å |
| 490 | N | 86.1 | Confident | 91.1 | Very high | 80 Ų | 80 | 57.6 Ų | 57.6 | 43% | 0.428 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -124.4 | 38.4 | -170.5 | -64.5 | -49.3 | 0 | 0 | 0 | 112.6 | K414 E487 | K414-N490 PolarHBondContact NZ-OD1 3.37Å; E487-N490 HydrophobicContact CB-CB 4.49Å; E487-N490 CarbonylContact O-C 3.59Å; E487-N490 WeakPolarHBondContact O-CA 3.35Å; E487-N490 PolarHBondContact O-N 2.92Å |
| 491 | K | 93.5 | Very high | 91 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 152.8 | 175.5 | -64.7 | -166.4 | -174.6 | 160.1 | 0 | 110.7 | E436 F437 G439 V484 D485 E487 | E436-K491 WeakPolarHBondContact CA-O 3.41Å; F437-K491 HydrophobicContact CD1-CB 4.22Å; F437-K491 HydrophobicContact CD2-CB 4.21Å; F437-K491 HydrophobicContact CE1-CB 3.7Å; F437-K491 HydrophobicContact CE2-CB 3.7Å; F437-K491 HydrophobicContact CE2-CD 4.04Å; F437-K491 HydrophobicContact CE2-CG 4.42Å; F437-K491 HydrophobicContact CG-CB 4.46Å; F437-K491 HydrophobicContact CZ-CB 3.4Å; F437-K491 VanDerWaalsContact CZ-CB 3.4Å; F437-K491 HydrophobicContact CZ-CD 3.99Å; F437-K491 HydrophobicContact CZ-CG 4.32Å; F437-K491 PolarHBondContact N-O 3.42Å; F437-K491 PolarHBondContact O-N 2.86Å; G439-K491 PolarHBondContact O-NZ 2.92Å; V484-K491 HydrophobicContact CG1-CB 4.46Å; V484-K491 HydrophobicContact CG1-CD 4.17Å; D485-K491 CarbonylContact O-C 3.54Å; D485-K491 VanDerWaalsContact O-CA 3.31Å; D485-K491 WeakPolarHBondContact O-CA 3.37Å; E487-K491 WeakPolarHBondContact O-CG 3.48Å; E487-K491 PolarHBondContact O-N 2.97Å |
| 492 | R | 94.9 | Very high | 90.6 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 42% | 0.415 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.1 | 169.6 | 67.8 | -170.4 | 178.6 | -174.7 | -2 | 110.6 | V434 C435 E436 V484 D485 | V434-R492 HydrophobicContact CG1-CB 4.08Å; V434-R492 HydrophobicContact CG1-CG 4.27Å; C435-R492 CarbonylContact O-C 3.5Å; C435-R492 VanDerWaalsContact O-CA 3.22Å; C435-R492 WeakPolarHBondContact O-CA 3.35Å; E436-R492 HydrophobicContact CG-CB 4.18Å; V484-R492 WeakPolarHBondContact CA-O 3.33Å; D485-R492 PolarHBondContact N-O 2.8Å; D485-R492 VanDerWaalsContact N-O 3.11Å; D485-R492 PolarHBondContact O-N 2.68Å; D485-R492 WeakPolarHBondContact OD1-CD 3.35Å; D485-R492 WeakPolarHBondContact OD1-CG 3.22Å; D485-R492 IonicContact OD1-CZ 2.67Å; D485-R492 IonicContact OD1-NE 3.24Å; D485-R492 PolarHBondContact OD1-NE 3.49Å; D485-R492 IonicContact OD1-NH2 3.88Å; D485-R492 IonicContact OD2-CZ 2.67Å; D485-R492 IonicContact OD2-NE 2.93Å; D485-R492 PolarHBondContact OD2-NE 2.81Å; D485-R492 IonicContact OD2-NH2 3.83Å; D485-R492 PolarHBondContact OD2-NH2 3.3Å |
| 493 | I | 96 | Very high | 89.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.1 | 172.1 | 169.3 | 61.8 | 0 | 0 | 0 | 107.4 | V434 C435 F437 V445 V447 F482 H483 V484 V495 I510 | V434-I493 WeakPolarHBondContact CA-O 3.42Å; C435-I493 HydrophobicContact CB-CG2 3.82Å; C435-I493 PolarHBondContact N-O 2.82Å; C435-I493 WeakPolarHBondContact O-CG2 3.48Å; C435-I493 PolarHBondContact O-N 3.38Å; F437-I493 HydrophobicContact CD1-CG2 4.16Å; F437-I493 HydrophobicContact CE1-CB 4.18Å; F437-I493 HydrophobicContact CE1-CG2 4.09Å; V445-I493 HydrophobicContact CG1-CB 4.16Å; V445-I493 HydrophobicContact CG1-CD1 4.23Å; V445-I493 HydrophobicContact CG1-CG1 3.93Å; V445-I493 HydrophobicContact CG1-CG2 4.37Å; V447-I493 HydrophobicContact CG2-CD1 4.03Å; V447-I493 HydrophobicContact CG2-CG1 4.16Å; F482-I493 HydrophobicContact CB-CD1 3.98Å; F482-I493 HydrophobicContact CD2-CD1 4.05Å; F482-I493 HydrophobicContact CG-CD1 4.44Å; H483-I493 VanDerWaalsContact O-CD1 3.28Å; H483-I493 WeakPolarHBondContact O-CD1 3.33Å; V484-I493 HydrophobicContact CG2-CB 4.38Å; V484-I493 HydrophobicContact CG2-CD1 3.97Å; I493-V495 HydrophobicContact CD1-CG2 4.22Å; I493-V495 HydrophobicContact CG1-CG2 3.93Å; I493-I510 HydrophobicContact CG1-CG2 4.46Å; I493-I510 HydrophobicContact CG2-CD1 4.43Å; I493-I510 HydrophobicContact CG2-CG2 3.99Å |
| 494 | T | 96.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125 | 174.2 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | T433 V434 F482 H483 | T433-T494 WeakPolarHBondContact O-CA 3.05Å; V434-T494 HydrophobicContact CG2-CG2 4.13Å; F482-T494 WeakPolarHBondContact CA-O 3.49Å; F482-T494 WeakPolarHBondContact CB-O 3.32Å; H483-T494 PolarHBondContact N-O 3.48Å; H483-T494 VanDerWaalsContact N-O 3.11Å; H483-T494 PolarHBondContact O-N 3.22Å |
| 495 | V | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.1 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 109 | G432 T433 V447 I480 F482 I493 L508 I510 | G432-V495 WeakPolarHBondContact CA-O 3.45Å; T433-V495 HydrophobicContact CG2-CB 4.06Å; T433-V495 PolarHBondContact N-O 2.73Å; T433-V495 PolarHBondContact O-N 3.13Å; V447-V495 HydrophobicContact CG1-CG1 4.28Å; V447-V495 HydrophobicContact CG1-CG2 4.27Å; V447-V495 HydrophobicContact CG2-CG2 4.01Å; I480-V495 HydrophobicContact CD1-CG1 4.06Å; I480-V495 HydrophobicContact CG1-CG1 4.24Å; F482-V495 HydrophobicContact CB-CB 4.33Å; F482-V495 HydrophobicContact CB-CG1 4.33Å; F482-V495 HydrophobicContact CB-CG2 3.96Å; I493-V495 HydrophobicContact CD1-CG2 4.22Å; I493-V495 HydrophobicContact CG1-CG2 3.93Å; V495-L508 HydrophobicContact CG1-CD1 4.33Å; V495-I510 HydrophobicContact CG2-CD1 3.94Å; V495-I510 HydrophobicContact CG2-CG1 4.45Å |
| 496 | N | 94.6 | Very high | 88.7 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.8 | 176.2 | -68 | -28.1 | 0 | 0 | 0 | 110.1 | F431 G432 I480 I481 | F431-N496 CarbonylContact O-C 3.6Å; F431-N496 WeakPolarHBondContact O-CA 3.37Å; G432-N496 WeakPolarHBondContact CA-OD1 3.32Å; I480-N496 WeakPolarHBondContact CA-O 3.33Å; I481-N496 PolarHBondContact N-O 3.38Å; I481-N496 PolarHBondContact O-N 2.66Å; I481-N496 VanDerWaalsContact O-O 3.11Å |
| 497 | I | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122.9 | 173.2 | -52.2 | 175.9 | 0 | 0 | 0 | 107.6 | N430 F431 L478 D479 I480 L500 L508 L525 | N430-I497 CarbonylContact C-O 3.56Å; N430-I497 VanDerWaalsContact CA-O 3.3Å; N430-I497 WeakPolarHBondContact CA-O 3.12Å; F431-I497 HydrophobicContact CB-CB 4.37Å; F431-I497 HydrophobicContact CD1-CD1 4.23Å; F431-I497 HydrophobicContact CD1-CG1 4.45Å; F431-I497 PolarHBondContact N-O 2.94Å; F431-I497 PolarHBondContact O-N 3.25Å; L478-I497 HydrophobicContact CD1-CG2 3.62Å; L478-I497 HydrophobicContact CG-CG2 3.93Å; D479-I497 WeakPolarHBondContact O-CA 3.3Å; I480-I497 HydrophobicContact CB-CG1 4.08Å; I480-I497 HydrophobicContact CD1-CD1 4.16Å; I480-I497 HydrophobicContact CD1-CG1 4.11Å; I480-I497 HydrophobicContact CG1-CG1 3.92Å; I497-L500 HydrophobicContact CG2-CD2 3.87Å; I497-L500 HydrophobicContact CG2-CG 4.06Å; I497-L508 HydrophobicContact CD1-CD2 4.29Å; I497-L525 HydrophobicContact CD1-CD2 3.85Å |
| 498 | T | 91.1 | Very high | 89.4 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 145.2 | -175.3 | 90.1 | 0 | 0 | 0 | 0 | 113.1 | N430 D479 L500 | N430-T498 VanDerWaalsContact OD1-CA 3.26Å; N430-T498 WeakPolarHBondContact OD1-CA 3.38Å; N430-T498 WeakPolarHBondContact OD1-CB 3.47Å; D479-T498 PolarHBondContact O-N 2.67Å; D479-T498 PolarHBondContact OD2-OG1 3.09Å; T498-L500 PolarHBondContact O-N 2.85Å |
| 499 | K | 87.9 | Confident | 90.1 | Very high | 150 Ų | 150 | 41.8 Ų | 41.8 | 65% | 0.652 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 50.5 | 55.4 | 168.6 | -57.3 | 178.3 | -178 | 178.4 | 0 | 114.3 | N429 N430 K501 | N429-K499 PolarHBondContact O-N 2.65Å; N430-K499 PolarHBondContact OD1-N 2.83Å; K499-K501 PolarHBondContact O-N 3.06Å |
| 500 | L | 89.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -58.8 | 128.2 | -179.7 | -79.8 | 156.5 | 0 | 0 | 0 | 111.6 | V425 E427 G428 N429 F431 L478 I497 T498 Q504 L525 V527 | V425-L500 HydrophobicContact CB-CD1 4.13Å; V425-L500 HydrophobicContact CG1-CD1 3.85Å; V425-L500 HydrophobicContact CG2-CD1 4.47Å; E427-L500 WeakPolarHBondContact CA-O 3.24Å; G428-L500 PolarHBondContact N-O 2.84Å; N429-L500 PolarHBondContact O-N 2.79Å; F431-L500 HydrophobicContact CB-CD1 3.82Å; L478-L500 HydrophobicContact CD1-CD2 3.82Å; I497-L500 HydrophobicContact CG2-CD2 3.87Å; I497-L500 HydrophobicContact CG2-CG 4.06Å; T498-L500 PolarHBondContact O-N 2.85Å; L500-Q504 HydrophobicContact CD2-CB 4.25Å; L500-L525 HydrophobicContact CD1-CD1 4.48Å; L500-L525 HydrophobicContact CD1-CD2 3.99Å; L500-L525 HydrophobicContact CD2-CD2 4.06Å; L500-V527 HydrophobicContact CB-CG1 4.36Å; L500-V527 HydrophobicContact CB-CG2 4.02Å; L500-V527 HydrophobicContact CD2-CG2 4.1Å | ||
| 501 | K | 90.1 | Very high | 91.3 | Very high | 89 Ų | 89 | 34.7 Ų | 34.7 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | trans | -104.2 | 158.3 | -179.7 | -54.3 | 178.7 | -170.3 | 174.7 | 0 | 110.8 | K499 Q504 | K499-K501 PolarHBondContact O-N 3.06Å; K501-Q504 HydrophobicContact CB-CG 4.32Å; K501-Q504 VanDerWaalsContact O-CB 3.31Å; K501-Q504 WeakPolarHBondContact O-CB 3.34Å; K501-Q504 PolarHBondContact O-N 2.78Å; K501-Q504 VanDerWaalsContact O-N 3.1Å | ||
| 502 | L | 87.1 | Confident | 91.4 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 147.2 | 168.9 | -73.8 | 167.7 | 0 | 0 | 0 | 112.4 | E427 Q474 Q504 P529 | E427-L502 HydrophobicContact CG-CG 4.48Å; E427-L502 WeakPolarHBondContact OE1-CD1 3.22Å; E427-L502 WeakPolarHBondContact OE1-CG 3.27Å; E427-L502 PolarHBondContact OE1-N 3.05Å; E427-L502 WeakPolarHBondContact OE2-CD1 3.15Å; Q474-L502 PolarHBondContact NE2-O 2.99Å; L502-Q504 PolarHBondContact O-N 2.87Å; L502-P529 HydrophobicContact CD1-CB 4.14Å; L502-P529 HydrophobicContact CD2-CB 3.86Å; L502-P529 HydrophobicContact CD2-CG 4.32Å |
| 503 | N | 79.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 28.9 Ų | 28.9 | 50% | 0.503 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 8.3 | -171.2 | -47 | -32 | 0 | 0 | 0 | 116.2 | Q474 D505 | Q474-N503 PolarHBondContact OE1-ND2 3.09Å; N503-D505 PolarHBondContact O-N 3.4Å |
| 504 | Q | 85.9 | Confident | 91.1 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | trans | -86.7 | 26.8 | 164.8 | -62.7 | -175.8 | -40.8 | 0 | 0 | 112.5 | Q474 L475 Q477 L478 L500 K501 L502 C506 V527 | Q474-Q504 HydrophobicContact CB-CG 4.31Å; Q474-Q504 PolarHBondContact O-NE2 2.84Å; L475-Q504 HydrophobicContact CD2-CB 4.34Å; Q477-Q504 PolarHBondContact O-NE2 3.04Å; L478-Q504 HydrophobicContact CD1-CB 4.29Å; L500-Q504 HydrophobicContact CD2-CB 4.25Å; K501-Q504 HydrophobicContact CB-CG 4.32Å; K501-Q504 VanDerWaalsContact O-CB 3.31Å; K501-Q504 WeakPolarHBondContact O-CB 3.34Å; K501-Q504 PolarHBondContact O-N 2.78Å; K501-Q504 VanDerWaalsContact O-N 3.1Å; L502-Q504 PolarHBondContact O-N 2.87Å; Q504-C506 PolarHBondContact O-N 2.95Å; Q504-V527 HydrophobicContact CB-CG2 4.35Å | ||
| 505 | D | 86.4 | Confident | 90.7 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | trans | -59.7 | 123.8 | 168.2 | -67 | -21.6 | 0 | 0 | 0 | 109.3 | L155 N503 L525 K526 V527 K568 | L155-D505 WeakPolarHBondContact CD1-O 3.49Å; N503-D505 PolarHBondContact O-N 3.4Å; D505-L525 WeakPolarHBondContact CA-O 3.3Å; D505-K526 HydrophobicContact CB-CD 4.09Å; D505-K526 WeakPolarHBondContact OD1-CA 3.43Å; D505-V527 PolarHBondContact OD1-N 2.98Å; D505-K568 VanDerWaalsContact OD2-CE 3.28Å; D505-K568 WeakPolarHBondContact OD2-CE 3.49Å; D505-K568 IonicContact OD2-NZ 3.89Å; D505-K568 PolarHBondContact OD2-NZ 2.76Å | ||
| 506 | C | 86.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.1 | -177.7 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | V449 L475 Q504 L525 | V449-C506 HydrophobicContact CG1-CB 3.96Å; L475-C506 HydrophobicContact CD2-CB 4.15Å; Q504-C506 PolarHBondContact O-N 2.95Å; C506-L525 PolarHBondContact N-O 2.97Å; C506-L525 PolarHBondContact O-N 3.22Å |
| 507 | E | 90.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 136.5 | 155.3 | -170.7 | -90.3 | 169.8 | 0 | 0 | 109.1 | V157 I158 V449 A450 S509 S522 T523 | V157-E507 WeakPolarHBondContact O-CG 3.27Å; I158-E507 HydrophobicContact CG2-CG 3.95Å; V449-E507 VanDerWaalsContact CA-O 3.31Å; V449-E507 WeakPolarHBondContact CA-O 3.43Å; A450-E507 PolarHBondContact N-O 3.41Å; E507-S509 VanDerWaalsContact OE1-CB 3.25Å; E507-S509 WeakPolarHBondContact OE1-CB 3.44Å; E507-S522 WeakPolarHBondContact OE1-CB 3.41Å; E507-T523 WeakPolarHBondContact CA-O 3.32Å |
| 508 | L | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.6 | 173.1 | 166 | 68.4 | 0 | 0 | 0 | 108.3 | L419 F431 V447 G448 V449 I480 V495 I497 S522 T523 | L419-L508 HydrophobicContact CD1-CD2 4.29Å; F431-L508 HydrophobicContact CD1-CD2 4.15Å; F431-L508 HydrophobicContact CE1-CD2 3.55Å; F431-L508 HydrophobicContact CZ-CD2 4.4Å; V447-L508 HydrophobicContact CG1-CD1 3.89Å; G448-L508 WeakPolarHBondContact O-CA 3.27Å; G448-L508 WeakPolarHBondContact O-CD1 3.47Å; V449-L508 HydrophobicContact CG2-CD1 4.22Å; I480-L508 HydrophobicContact CD1-CD1 4.06Å; V495-L508 HydrophobicContact CG1-CD1 4.33Å; I497-L508 HydrophobicContact CD1-CD2 4.29Å; L508-S522 CarbonylContact O-C 3.56Å; L508-S522 WeakPolarHBondContact O-CA 3.29Å; L508-T523 HydrophobicContact CB-CG2 3.8Å; L508-T523 HydrophobicContact CD2-CG2 4.04Å; L508-T523 HydrophobicContact CG-CG2 4.18Å; L508-T523 PolarHBondContact N-O 3.43Å; L508-T523 PolarHBondContact O-N 2.9Å |
| 509 | S | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 151.2 | -178.1 | 90 | 0 | 0 | 0 | 0 | 112.3 | V447 G448 E453 E507 I521 | V447-S509 WeakPolarHBondContact CA-O 3.46Å; G448-S509 PolarHBondContact N-O 2.84Å; G448-S509 PolarHBondContact N-OG 3.44Å; G448-S509 PolarHBondContact O-N 3.04Å; E453-S509 PolarHBondContact OE1-OG 2.87Å; E507-S509 VanDerWaalsContact OE1-CB 3.25Å; E507-S509 WeakPolarHBondContact OE1-CB 3.44Å; S509-I521 WeakPolarHBondContact CA-O 3.41Å |
| 510 | I | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123.8 | 166 | -53.9 | 177 | 0 | 0 | 0 | 107.5 | F413 L419 V445 Y446 I493 V495 R520 I521 | F413-I510 HydrophobicContact CE1-CB 4.38Å; F413-I510 HydrophobicContact CE1-CG2 3.83Å; F413-I510 HydrophobicContact CZ-CB 4.15Å; F413-I510 HydrophobicContact CZ-CG2 3.84Å; L419-I510 HydrophobicContact CD1-CD1 4.49Å; L419-I510 HydrophobicContact CD2-CD1 4.28Å; L419-I510 HydrophobicContact CD2-CG1 4.15Å; V445-I510 HydrophobicContact CG1-CG2 4Å; Y446-I510 WeakPolarHBondContact O-CA 3.37Å; I493-I510 HydrophobicContact CG1-CG2 4.46Å; I493-I510 HydrophobicContact CG2-CD1 4.43Å; I493-I510 HydrophobicContact CG2-CG2 3.99Å; V495-I510 HydrophobicContact CG2-CD1 3.94Å; V495-I510 HydrophobicContact CG2-CG1 4.45Å; I510-R520 VanDerWaalsContact O-CA 3.31Å; I510-R520 WeakPolarHBondContact O-CA 3.32Å; I510-I521 HydrophobicContact CB-CG1 4.2Å; I510-I521 PolarHBondContact N-O 3.14Å; I510-I521 PolarHBondContact O-N 3.48Å |
| 511 | R | 95.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 22.8 Ų | 22.8 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121 | 178.8 | -176.9 | 169.8 | 61.5 | 82.9 | 12.8 | 111.8 | Y446 E453 Q518 S519 R520 | Y446-R511 PolarHBondContact N-O 2.93Å; Y446-R511 PolarHBondContact O-N 3.04Å; E453-R511 IonicContact OE1-NE 3.92Å; E453-R511 IonicContact OE2-CZ 3.26Å; E453-R511 IonicContact OE2-NE 3.18Å; E453-R511 PolarHBondContact OE2-NE 3.29Å; E453-R511 IonicContact OE2-NH2 3.02Å; E453-R511 PolarHBondContact OE2-NH2 2.93Å; R511-Q518 HydrophobicContact CG-CB 4.48Å; R511-S519 CarbonylContact C-O 3.6Å; R511-S519 WeakPolarHBondContact CA-O 3.42Å; R511-R520 HydrophobicContact CB-CB 4.18Å; R511-R520 HydrophobicContact CB-CG 4.22Å; R511-R520 HydrophobicContact CG-CB 4.21Å |
| 512 | L | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 135.3 | 168.9 | -50 | 175.7 | 0 | 0 | 0 | 109 | P411 F413 F437 T443 V445 Q518 S519 | P411-L512 HydrophobicContact CB-CB 3.82Å; P411-L512 HydrophobicContact CB-CD1 4.24Å; P411-L512 HydrophobicContact CG-CB 3.65Å; F413-L512 HydrophobicContact CD1-CD1 3.95Å; F413-L512 HydrophobicContact CD1-CG 4.41Å; F413-L512 HydrophobicContact CD2-CD1 4.02Å; F413-L512 HydrophobicContact CE1-CD1 3.84Å; F413-L512 HydrophobicContact CE1-CD2 3.92Å; F413-L512 HydrophobicContact CE1-CG 3.78Å; F413-L512 HydrophobicContact CE2-CD1 3.89Å; F413-L512 HydrophobicContact CE2-CG 3.93Å; F413-L512 HydrophobicContact CG-CD1 4.06Å; F413-L512 HydrophobicContact CZ-CD1 3.81Å; F413-L512 HydrophobicContact CZ-CD2 4.05Å; F413-L512 HydrophobicContact CZ-CG 3.52Å; F437-L512 HydrophobicContact CB-CD1 3.52Å; F437-L512 HydrophobicContact CB-CD2 4.15Å; F437-L512 HydrophobicContact CB-CG 4.48Å; F437-L512 HydrophobicContact CD1-CD2 4.02Å; F437-L512 HydrophobicContact CD2-CD1 4.09Å; F437-L512 HydrophobicContact CD2-CD2 3.67Å; F437-L512 HydrophobicContact CD2-CG 4.48Å; F437-L512 HydrophobicContact CE1-CD2 4.31Å; F437-L512 HydrophobicContact CE2-CD2 3.99Å; F437-L512 HydrophobicContact CG-CD1 3.98Å; F437-L512 HydrophobicContact CG-CD2 3.7Å; F437-L512 HydrophobicContact CG-CG 4.5Å; F437-L512 HydrophobicContact CZ-CD2 4.3Å; T443-L512 HydrophobicContact CG2-CB 3.93Å; T443-L512 HydrophobicContact CG2-CD2 4.48Å; V445-L512 HydrophobicContact CG1-CD2 4.34Å; V445-L512 HydrophobicContact CG2-CD2 3.85Å; L512-Q518 CarbonylContact O-C 3.59Å; L512-Q518 WeakPolarHBondContact O-CA 3.39Å; L512-Q518 WeakPolarHBondContact O-CB 3.24Å; L512-S519 PolarHBondContact N-O 3.4Å; L512-S519 PolarHBondContact O-N 2.63Å |
| 513 | H | 92.8 | Very high | 91 | Very high | 36 Ų | 36 | 18.3 Ų | 18.3 | 17% | 0.167 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.6 | -176.6 | 173.9 | 88.3 | 0 | 0 | 0 | 111.8 | T443 V444 Y446 Q518 | T443-H513 WeakPolarHBondContact CA-O 3.3Å; V444-H513 PolarHBondContact N-O 3.08Å; V444-H513 PolarHBondContact O-N 3.27Å; Y446-H513 HydrophobicContact CD2-CB 4.27Å; Y446-H513 HydrophobicContact CE2-CB 4Å; H513-Q518 HydrophobicContact CB-CB 4.46Å; H513-Q518 PolarHBondContact ND1-OE1 3.48Å |
| 514 | S | 91.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.028 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 175 | 170.9 | 80.1 | 0 | 0 | 0 | 0 | 111 | V93 Y516 G517 | V93-S514 WeakPolarHBondContact CG1-O 3.23Å; S514-Y516 PolarHBondContact O-N 2.83Å; S514-Y516 PolarHBondContact OG-N 2.54Å; S514-G517 PolarHBondContact N-O 2.83Å; S514-G517 PolarHBondContact O-N 2.76Å; S514-G517 VanDerWaalsContact O-N 3.09Å; S514-G517 VanDerWaalsContact O-O 3.11Å |
| 515 | T | 88.6 | Confident | 91.7 | Very high | 82 Ų | 82 | 14.1 Ų | 14.1 | 50% | 0.503 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.6 | 175.9 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 516 | Y | 88.1 | Confident | 91.8 | Very high | 44 Ų | 44 | 13.4 Ų | 13.4 | 17% | 0.173 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 7.6 | 177.1 | -52.8 | -56.8 | 0 | 0 | 0 | 113.6 | V327 K406 V408 W441 S514 | V327-Y516 HydrophobicContact CG1-CD1 4.35Å; V327-Y516 HydrophobicContact CG1-CE1 4.03Å; K406-Y516 PolarHBondContact NZ-OH 2.73Å; V408-Y516 HydrophobicContact CB-CD1 4.07Å; V408-Y516 HydrophobicContact CB-CD2 3.88Å; V408-Y516 HydrophobicContact CB-CE1 4.46Å; V408-Y516 HydrophobicContact CB-CE2 4.28Å; V408-Y516 HydrophobicContact CB-CG 3.77Å; V408-Y516 HydrophobicContact CG1-CD1 4.08Å; V408-Y516 HydrophobicContact CG1-CD2 3.82Å; V408-Y516 HydrophobicContact CG1-CE1 3.97Å; V408-Y516 HydrophobicContact CG1-CE2 3.69Å; V408-Y516 HydrophobicContact CG1-CG 4.02Å; V408-Y516 HydrophobicContact CG2-CD1 3.88Å; V408-Y516 HydrophobicContact CG2-CE1 4.41Å; V408-Y516 HydrophobicContact CG2-CG 3.97Å; W441-Y516 HydrophobicContact CB-CD2 3.79Å; W441-Y516 HydrophobicContact CB-CE2 4Å; W441-Y516 AromaticContact CD1-CD2 3.82Å; W441-Y516 AromaticContact CD2-CD2 3.97Å; W441-Y516 HydrophobicContact CD2-CD2 3.97Å; W441-Y516 AromaticContact CD2-CE2 3.87Å; W441-Y516 HydrophobicContact CD2-CE2 3.87Å; W441-Y516 HydrophobicContact CE3-CE2 4.12Å; W441-Y516 AromaticContact CG-CD2 3.57Å; W441-Y516 HydrophobicContact CG-CD2 3.57Å; W441-Y516 AromaticContact CG-CE2 3.85Å; W441-Y516 HydrophobicContact CG-CE2 3.85Å; S514-Y516 PolarHBondContact O-N 2.83Å; S514-Y516 PolarHBondContact OG-N 2.54Å |
| 517 | G | 89.5 | Confident | 92 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.1 | -165.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P411 S514 | P411-G517 VanDerWaalsContact CD-O 3.23Å; P411-G517 WeakPolarHBondContact CD-O 3.29Å; S514-G517 PolarHBondContact N-O 2.83Å; S514-G517 PolarHBondContact O-N 2.76Å; S514-G517 VanDerWaalsContact O-N 3.09Å; S514-G517 VanDerWaalsContact O-O 3.11Å |
| 518 | Q | 91.7 | Very high | 92 | Very high | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.014 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164.5 | -178 | 59.2 | -179.6 | 29.6 | 0 | 0 | 115.1 | Q53 E162 R511 L512 H513 | Q53-Q518 WeakPolarHBondContact CB-O 3.11Å; Q53-Q518 PolarHBondContact N-O 2.93Å; E162-Q518 VanDerWaalsContact CD-NE2 3.28Å; E162-Q518 VanDerWaalsContact OE2-CD 3.23Å; E162-Q518 PolarHBondContact OE2-NE2 3.1Å; E162-Q518 VanDerWaalsContact OE2-NE2 3.08Å; R511-Q518 HydrophobicContact CG-CB 4.48Å; L512-Q518 CarbonylContact O-C 3.59Å; L512-Q518 WeakPolarHBondContact O-CA 3.39Å; L512-Q518 WeakPolarHBondContact O-CB 3.24Å; H513-Q518 HydrophobicContact CB-CB 4.46Å; H513-Q518 PolarHBondContact ND1-OE1 3.48Å |
| 519 | S | 94 | Very high | 92 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123.9 | 172.3 | 170.4 | 0 | 0 | 0 | 0 | 109 | N51 N161 P411 F413 R511 L512 | N51-S519 PolarHBondContact O-OG 2.63Å; N161-S519 VanDerWaalsContact OD1-CA 3.24Å; N161-S519 WeakPolarHBondContact OD1-CA 3.07Å; P411-S519 WeakPolarHBondContact O-CB 3.15Å; F413-S519 VanDerWaalsContact CD2-OG 3.31Å; F413-S519 WeakPolarHBondContact CD2-OG 3.31Å; F413-S519 WeakPolarHBondContact CE2-OG 3.43Å; R511-S519 CarbonylContact C-O 3.6Å; R511-S519 WeakPolarHBondContact CA-O 3.42Å; L512-S519 PolarHBondContact N-O 3.4Å; L512-S519 PolarHBondContact O-N 2.63Å |
| 520 | R | 94.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 14 Ų | 14 | 5% | 0.049 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.7 | 174 | -175 | -174.5 | -73.3 | 117.6 | -15.5 | 110.3 | E159 S160 N161 E453 I510 R511 | E159-R520 VanDerWaalsContact CD-NH2 3.31Å; E159-R520 VanDerWaalsContact CG-NH1 3.31Å; E159-R520 IonicContact OE1-CZ 3.89Å; E159-R520 VanDerWaalsContact OE1-CZ 3.23Å; E159-R520 IonicContact OE1-NH1 3.64Å; E159-R520 PolarHBondContact OE1-NH1 3.29Å; E159-R520 IonicContact OE1-NH2 2.67Å; E159-R520 PolarHBondContact OE1-NH2 2.91Å; E159-R520 IonicContact OE2-NH2 2.91Å; S160-R520 PolarHBondContact O-NH1 3.44Å; N161-R520 PolarHBondContact ND2-O 2.91Å; N161-R520 PolarHBondContact OD1-N 3.26Å; E453-R520 IonicContact OE1-CZ 3.41Å; E453-R520 VanDerWaalsContact OE1-CZ 3.24Å; E453-R520 IonicContact OE1-NE 3.59Å; E453-R520 PolarHBondContact OE1-NE 2.89Å; E453-R520 IonicContact OE1-NH2 2.71Å; E453-R520 PolarHBondContact OE1-NH2 3.15Å; E453-R520 IonicContact OE2-NH2 3.01Å; I510-R520 VanDerWaalsContact O-CA 3.31Å; I510-R520 WeakPolarHBondContact O-CA 3.32Å; R511-R520 HydrophobicContact CB-CB 4.18Å; R511-R520 HydrophobicContact CB-CG 4.22Å; R511-R520 HydrophobicContact CG-CB 4.21Å |
| 521 | I | 94.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 14.2 Ų | 14.2 | 5% | 0.046 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 155.1 | 161.8 | 57.6 | -176.3 | 0 | 0 | 0 | 109.1 | F413 P416 L419 S509 I510 | F413-I521 HydrophobicContact CD1-CD1 3.75Å; F413-I521 HydrophobicContact CD2-CD1 3.89Å; F413-I521 HydrophobicContact CD2-CG1 4.12Å; F413-I521 HydrophobicContact CD2-CG2 3.76Å; F413-I521 HydrophobicContact CE1-CD1 3.68Å; F413-I521 HydrophobicContact CE1-CG1 4.1Å; F413-I521 HydrophobicContact CE2-CB 4.21Å; F413-I521 HydrophobicContact CE2-CD1 3.85Å; F413-I521 HydrophobicContact CE2-CG1 3.65Å; F413-I521 HydrophobicContact CE2-CG2 3.84Å; F413-I521 HydrophobicContact CG-CD1 3.84Å; F413-I521 HydrophobicContact CZ-CD1 3.73Å; F413-I521 HydrophobicContact CZ-CG1 3.62Å; P416-I521 HydrophobicContact CB-CG2 4.04Å; L419-I521 HydrophobicContact CB-CD1 3.67Å; L419-I521 HydrophobicContact CB-CG1 4.04Å; L419-I521 HydrophobicContact CD2-CB 4.44Å; L419-I521 HydrophobicContact CD2-CD1 4.34Å; L419-I521 HydrophobicContact CD2-CG1 3.87Å; S509-I521 WeakPolarHBondContact CA-O 3.41Å; I510-I521 HydrophobicContact CB-CG1 4.2Å; I510-I521 PolarHBondContact N-O 3.14Å; I510-I521 PolarHBondContact O-N 3.48Å |
| 522 | S | 92.5 | Very high | 91.5 | Very high | 33 Ų | 33 | 17.3 Ų | 17.3 | 23% | 0.231 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147.8 | -173.3 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | E507 L508 | E507-S522 WeakPolarHBondContact OE1-CB 3.41Å; L508-S522 CarbonylContact O-C 3.56Å; L508-S522 WeakPolarHBondContact O-CA 3.29Å |
| 523 | T | 90.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.9 | 170.4 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | L419 K420 F423 E507 L508 | L419-T523 HydrophobicContact CD1-CG2 3.72Å; L419-T523 HydrophobicContact CD2-CG2 4.24Å; L419-T523 HydrophobicContact CG-CG2 3.84Å; K420-T523 WeakPolarHBondContact O-CB 3.47Å; K420-T523 PolarHBondContact O-OG1 2.7Å; F423-T523 HydrophobicContact CD2-CG2 4.19Å; F423-T523 WeakPolarHBondContact CD2-OG1 3.5Å; E507-T523 WeakPolarHBondContact CA-O 3.32Å; L508-T523 HydrophobicContact CB-CG2 3.8Å; L508-T523 HydrophobicContact CD2-CG2 4.04Å; L508-T523 HydrophobicContact CG-CG2 4.18Å; L508-T523 PolarHBondContact N-O 3.43Å; L508-T523 PolarHBondContact O-N 2.9Å |
| 524 | S | 90.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 114.6 | 158.6 | -169 | 0 | 0 | 0 | 0 | 109.8 | E421 L422 F423 K526 | E421-S524 PolarHBondContact O-N 3.01Å; L422-S524 WeakPolarHBondContact CA-O 3.3Å; F423-S524 PolarHBondContact N-O 3.18Å; S524-K526 WeakPolarHBondContact OG-CE 3.39Å; S524-K526 PolarHBondContact OG-NZ 2.84Å |
| 525 | L | 90 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.7 | 170.2 | -178.5 | 63 | 0 | 0 | 0 | 108.7 | F423 V425 F431 I497 L500 D505 C506 | F423-L525 HydrophobicContact CB-CD1 4.03Å; V425-L525 HydrophobicContact CB-CD1 4.37Å; V425-L525 HydrophobicContact CG2-CD1 3.67Å; F431-L525 HydrophobicContact CB-CD1 4.42Å; F431-L525 HydrophobicContact CD2-CD1 4.01Å; F431-L525 HydrophobicContact CG-CD1 4.15Å; F431-L525 HydrophobicContact CG-CD2 4.49Å; I497-L525 HydrophobicContact CD1-CD2 3.85Å; L500-L525 HydrophobicContact CD1-CD1 4.48Å; L500-L525 HydrophobicContact CD1-CD2 3.99Å; L500-L525 HydrophobicContact CD2-CD2 4.06Å; D505-L525 WeakPolarHBondContact CA-O 3.3Å; C506-L525 PolarHBondContact N-O 2.97Å; C506-L525 PolarHBondContact O-N 3.22Å |
| 526 | K | 89.1 | Confident | 91.4 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.4 | 176.4 | -53.7 | -61.8 | -161.8 | -176.2 | 0 | 110.7 | S19 N156 L422 F423 Y424 V425 D505 S524 F569 | S19-K526 WeakPolarHBondContact O-CE 3.25Å; S19-K526 PolarHBondContact O-NZ 3.46Å; N156-K526 PolarHBondContact OD1-NZ 2.86Å; L422-K526 HydrophobicContact CD1-CG 3.88Å; F423-K526 PolarHBondContact O-N 3.02Å; Y424-K526 HydrophobicContact CD1-CB 4.01Å; Y424-K526 HydrophobicContact CD1-CG 4.48Å; Y424-K526 HydrophobicContact CE1-CB 4.2Å; Y424-K526 HydrophobicContact CE1-CG 4.31Å; V425-K526 PolarHBondContact N-O 2.71Å; V425-K526 VanDerWaalsContact N-O 3.08Å; D505-K526 HydrophobicContact CB-CD 4.09Å; D505-K526 WeakPolarHBondContact OD1-CA 3.43Å; S524-K526 WeakPolarHBondContact OG-CE 3.39Å; S524-K526 PolarHBondContact OG-NZ 2.84Å; K526-F569 HydrophobicContact CB-CD1 4.38Å; K526-F569 HydrophobicContact CB-CE1 4.01Å |
| 527 | V | 90.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.7 | -179.8 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | V425 E427 L500 Q504 D505 F569 | V425-V527 CarbonylContact O-C 3.58Å; V425-V527 WeakPolarHBondContact O-CA 3.39Å; E427-V527 HydrophobicContact CB-CG1 4.12Å; L500-V527 HydrophobicContact CB-CG1 4.36Å; L500-V527 HydrophobicContact CB-CG2 4.02Å; L500-V527 HydrophobicContact CD2-CG2 4.1Å; Q504-V527 HydrophobicContact CB-CG2 4.35Å; D505-V527 PolarHBondContact OD1-N 2.98Å; V527-F569 VanDerWaalsContact O-CZ 3.25Å; V527-F569 WeakPolarHBondContact O-CZ 3.36Å |
| 528 | V | 91.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.5 | -177.4 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | Y424 V425 M426 E427 F569 I571 I729 | Y424-V528 HydrophobicContact CG-CG2 4.15Å; V425-V528 PolarHBondContact O-N 2.91Å; M426-V528 CarbonylContact C-O 3.49Å; M426-V528 WeakPolarHBondContact CA-O 3.28Å; M426-V528 HydrophobicContact CE-CB 4.36Å; M426-V528 HydrophobicContact CE-CG1 3.97Å; M426-V528 HydrophobicContact SD-CB 3.82Å; M426-V528 HydrophobicContact SD-CG1 3.73Å; E427-V528 PolarHBondContact N-O 3.1Å; V528-F569 HydrophobicContact CB-CE1 4.46Å; V528-F569 HydrophobicContact CG2-CD1 3.83Å; V528-F569 HydrophobicContact CG2-CE1 3.83Å; V528-F569 HydrophobicContact CG2-CG 4.43Å; V528-F569 HydrophobicContact CG2-CZ 4.44Å; V528-I571 HydrophobicContact CG1-CD1 3.67Å; V528-I571 HydrophobicContact CG2-CD1 4Å; V528-I729 HydrophobicContact CG1-CD1 4.42Å |
| 529 | P | 92.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 141.9 | 177.1 | 20.7 | -29 | 0 | 0 | 0 | 111.6 | M426 L502 I561 W565 F569 | M426-P529 WeakPolarHBondContact CE-O 3.47Å; L502-P529 HydrophobicContact CD1-CB 4.14Å; L502-P529 HydrophobicContact CD2-CB 3.86Å; L502-P529 HydrophobicContact CD2-CG 4.32Å; P529-I561 HydrophobicContact CB-CG2 4.46Å; P529-I561 HydrophobicContact CG-CG2 4.22Å; P529-W565 PolarHBondContact O-NE1 3.02Å; P529-F569 HydrophobicContact CG-CE2 4.45Å |
| 530 | K | 91.2 | Very high | 91.4 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 10% | 0.096 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 156.7 | 169.5 | -73.9 | -164.5 | 179.8 | -158.8 | 0 | 111.4 | E427 Q532 E735 L740 | E427-K530 HydrophobicContact CB-CG 4.32Å; E427-K530 WeakPolarHBondContact O-CE 3.32Å; K530-Q532 PolarHBondContact O-N 2.91Å; K530-E735 WeakPolarHBondContact CD-OE2 3.12Å; K530-E735 VanDerWaalsContact NZ-CD 3.27Å; K530-E735 IonicContact NZ-OE1 2.73Å; K530-E735 PolarHBondContact NZ-OE1 3.08Å; K530-E735 IonicContact NZ-OE2 2.75Å; K530-E735 PolarHBondContact NZ-OE2 2.96Å; K530-L740 HydrophobicContact CB-CD2 4.23Å; K530-L740 HydrophobicContact CD-CD2 4.24Å |
| 531 | P | 92.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 135.6 | 169.3 | -23.4 | 33.6 | 0 | 0 | 0 | 111.8 | L557 W565 I690 Y730 L740 | P531-L557 HydrophobicContact CB-CD2 4Å; P531-W565 HydrophobicContact CB-CH2 3.95Å; P531-W565 HydrophobicContact CB-CZ2 4.39Å; P531-W565 HydrophobicContact CG-CH2 3.91Å; P531-W565 HydrophobicContact CG-CZ2 4.11Å; P531-I690 HydrophobicContact CB-CD1 4.07Å; P531-I690 HydrophobicContact CG-CG2 4.19Å; P531-Y730 HydrophobicContact CG-CD1 4.28Å; P531-Y730 HydrophobicContact CG-CE1 3.6Å; P531-L740 WeakPolarHBondContact O-CD1 3.44Å; P531-L740 WeakPolarHBondContact O-CD2 3.18Å |
| 532 | Q | 92.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 34 Ų | 34 | 44% | 0.444 | 19% | 0.186 | S | C | . | . | trans | -120 | 144.5 | 163.9 | -59.5 | 176.3 | 2.5 | 0 | 0 | 108.3 | K530 N558 I561 | K530-Q532 PolarHBondContact O-N 2.91Å; Q532-N558 HydrophobicContact CB-CB 4.13Å; Q532-N558 PolarHBondContact O-N 3.45Å; Q532-N558 PolarHBondContact OE1-ND2 2.86Å; Q532-I561 HydrophobicContact CB-CD1 3.8Å; Q532-I561 HydrophobicContact CG-CD1 3.53Å | ||
| 533 | L | 90.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.9 | 179.4 | -62.6 | 179.4 | 0 | 0 | 0 | 110.8 | A556 L557 I690 Q743 L744 | L533-A556 CarbonylContact C-O 3.59Å; L533-A556 VanDerWaalsContact CA-O 3.27Å; L533-A556 WeakPolarHBondContact CA-O 3.34Å; L533-L557 HydrophobicContact CD2-CD2 4.5Å; L533-I690 HydrophobicContact CD2-CD1 4.02Å; L533-Q743 HydrophobicContact CD1-CB 4.28Å; L533-L744 HydrophobicContact CD1-CD2 4.12Å |
| 534 | T | 91.5 | Very high | 90.1 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 60% | 0.595 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -31.7 | 166.3 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | A556 L557 N558 | T534-A556 PolarHBondContact N-O 3.04Å; T534-L557 PolarHBondContact OG1-O 3.43Å; T534-N558 VanDerWaalsContact OG1-CA 3.31Å; T534-N558 WeakPolarHBondContact OG1-CA 3.43Å; T534-N558 PolarHBondContact OG1-N 3.44Å |
| 535 | I | 90.8 | Very high | 89.4 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 43% | 0.431 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 122.1 | 174.9 | -55.8 | 174.1 | 0 | 0 | 0 | 106.8 | A556 | I535-A556 HydrophobicContact CB-CB 3.93Å; I535-A556 HydrophobicContact CD1-CB 4.02Å; I535-A556 HydrophobicContact CG1-CB 4Å; I535-A556 PolarHBondContact N-O 3.49Å; I535-A556 PolarHBondContact O-N 3.34Å; I535-A556 VanDerWaalsContact O-N 3.11Å |
| 536 | S | 92.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | trans | -106.4 | 129.4 | -172.5 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | S538 D539 Q743 | S536-S538 WeakPolarHBondContact CB-OG 3.29Å; S536-S538 PolarHBondContact O-N 2.84Å; S536-S538 VanDerWaalsContact O-N 3.08Å; S536-S538 PolarHBondContact OG-OG 3Å; S536-D539 WeakPolarHBondContact CB-OD2 3.35Å; S536-D539 PolarHBondContact N-OD2 3.26Å; S536-D539 WeakPolarHBondContact O-CB 3.32Å; S536-D539 VanDerWaalsContact O-CG 3.26Å; S536-D539 PolarHBondContact O-N 3.07Å; S536-Q743 VanDerWaalsContact OG-C 3.31Å; S536-Q743 VanDerWaalsContact OG-CA 3.27Å; S536-Q743 WeakPolarHBondContact OG-CA 3.46Å; S536-Q743 VanDerWaalsContact OG-CB 3.26Å; S536-Q743 WeakPolarHBondContact OG-CB 3.49Å; S536-Q743 PolarHBondContact OG-O 2.92Å | ||
| 537 | P | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -50.6 | -33.4 | 172.6 | -29.3 | 33.9 | 0 | 0 | 0 | 113.5 | D539 E540 V553 C555 W577 C688 Q743 A746 | P537-D539 PolarHBondContact O-N 3.26Å; P537-D539 VanDerWaalsContact O-N 3.09Å; P537-E540 PolarHBondContact O-N 3Å; P537-V553 HydrophobicContact CB-CG1 4.04Å; P537-C555 HydrophobicContact CG-CB 3.89Å; P537-W577 HydrophobicContact CB-CH2 4.43Å; P537-W577 HydrophobicContact CB-CZ3 4.44Å; P537-W577 HydrophobicContact CG-CH2 3.95Å; P537-W577 HydrophobicContact CG-CZ3 4.16Å; P537-C688 HydrophobicContact CG-CB 3.74Å; P537-Q743 VanDerWaalsContact CD-O 3.29Å; P537-Q743 WeakPolarHBondContact CD-O 3.26Å; P537-A746 HydrophobicContact CB-CB 4.06Å; P537-A746 WeakPolarHBondContact O-CB 3.3Å |
| 538 | S | 91.8 | Very high | 88.1 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -56.5 | -20.3 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 115.4 | S536 E540 N541 Q743 | S536-S538 WeakPolarHBondContact CB-OG 3.29Å; S536-S538 PolarHBondContact O-N 2.84Å; S536-S538 VanDerWaalsContact O-N 3.08Å; S536-S538 PolarHBondContact OG-OG 3Å; S538-E540 VanDerWaalsContact C-N 3.29Å; S538-N541 WeakPolarHBondContact CA-ND2 3.31Å; S538-N541 VanDerWaalsContact O-CB 3.23Å; S538-N541 WeakPolarHBondContact O-CB 3.36Å; S538-N541 PolarHBondContact O-N 2.86Å; S538-N541 PolarHBondContact O-ND2 3.26Å; S538-Q743 PolarHBondContact N-O 2.89Å; S538-Q743 VanDerWaalsContact N-O 3.12Å |
| 539 | D | 89.8 | Confident | 87.7 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -78.9 | -21.8 | -173.8 | -53.7 | -19.2 | 0 | 0 | 0 | 110.8 | S536 P537 N541 | S536-D539 WeakPolarHBondContact CB-OD2 3.35Å; S536-D539 PolarHBondContact N-OD2 3.26Å; S536-D539 WeakPolarHBondContact O-CB 3.32Å; S536-D539 VanDerWaalsContact O-CG 3.26Å; S536-D539 PolarHBondContact O-N 3.07Å; P537-D539 PolarHBondContact O-N 3.26Å; P537-D539 VanDerWaalsContact O-N 3.09Å; D539-N541 VanDerWaalsContact C-N 3.33Å |
| 540 | E | 89 | Confident | 87.4 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 41% | 0.407 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -92 | 10.9 | 174.8 | -64.8 | -65.5 | 163.8 | 0 | 0 | 113.2 | P537 S538 C542 V553 R748 | P537-E540 PolarHBondContact O-N 3Å; S538-E540 VanDerWaalsContact C-N 3.29Å; E540-C542 PolarHBondContact O-N 3.43Å; E540-V553 HydrophobicContact CB-CG1 4.43Å; E540-V553 HydrophobicContact CB-CG2 4.17Å; E540-R748 WeakPolarHBondContact O-CD 3.37Å; E540-R748 PolarHBondContact O-NH1 2.92Å |
| 541 | N | 89.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | trans | -56 | 133.2 | 176.1 | -87.1 | -35 | 0 | 0 | 0 | 111.7 | S538 D539 F747 | S538-N541 WeakPolarHBondContact CA-ND2 3.31Å; S538-N541 VanDerWaalsContact O-CB 3.23Å; S538-N541 WeakPolarHBondContact O-CB 3.36Å; S538-N541 PolarHBondContact O-N 2.86Å; S538-N541 PolarHBondContact O-ND2 3.26Å; D539-N541 VanDerWaalsContact C-N 3.33Å; N541-F747 WeakPolarHBondContact CA-O 3.43Å; N541-F747 PolarHBondContact OD1-N 2.92Å; N541-F747 PolarHBondContact OD1-O 3.05Å | ||
| 542 | C | 89.1 | Confident | 87.2 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -141.5 | 138.4 | -178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | E540 K544 C546 F747 R748 T749 | E540-C542 PolarHBondContact O-N 3.43Å; C542-K544 PolarHBondContact SG-O 3.43Å; C542-C546 HydrophobicContact CB-CB 3.76Å; C542-C546 WeakPolarHBondContact CB-SG 3.24Å; C542-C546 PolarHBondContact O-SG 2.83Å; C542-C546 VanDerWaalsContact O-SG 3.35Å; C542-C546 WeakPolarHBondContact SG-CA 3.48Å; C542-C546 WeakPolarHBondContact SG-CB 3.41Å; C542-C546 CovalentContact SG-SG 2.03Å; C542-C546 PolarHBondContact SG-SG 3.14Å; C542-F747 PolarHBondContact N-O 2.85Å; C542-R748 WeakPolarHBondContact O-CA 3.23Å; C542-T749 PolarHBondContact O-N 2.88Å |
| 543 | I | 84.9 | Confident | 87.2 | Confident | 145 Ų | 145 | 63.3 Ų | 63.3 | 74% | 0.744 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -117.3 | -14.4 | -172.3 | -53.4 | 174.8 | 0 | 0 | 0 | 112.3 | C546 | I543-C546 PolarHBondContact N-SG 2.93Š|
| 544 | K | 81.2 | Confident | 87.2 | Confident | 148 Ų | 148 | 63.3 Ų | 63.3 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -146.8 | 137 | -175.9 | -161.4 | -158.9 | 176 | -74 | 0 | 111.1 | C542 C546 | C542-K544 PolarHBondContact SG-O 3.43Å; K544-C546 VanDerWaalsContact C-N 3.27Å; K544-C546 PolarHBondContact N-SG 2.95Å; K544-C546 PolarHBondContact O-N 3.26Å; K544-C546 PolarHBondContact O-SG 3.02Å |
| 545 | D | 75.8 | Confident | 87.2 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 57.8 | 33.5 | 175.5 | -39.2 | -35.9 | 0 | 0 | 0 | 113.8 | ||
| 546 | C | 82.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.5 | -163.3 | -52.5 | 0 | 0 | 0 | 0 | 115.9 | C542 I543 K544 Y551 R748 T749 | C542-C546 HydrophobicContact CB-CB 3.76Å; C542-C546 WeakPolarHBondContact CB-SG 3.24Å; C542-C546 PolarHBondContact O-SG 2.83Å; C542-C546 VanDerWaalsContact O-SG 3.35Å; C542-C546 WeakPolarHBondContact SG-CA 3.48Å; C542-C546 WeakPolarHBondContact SG-CB 3.41Å; C542-C546 CovalentContact SG-SG 2.03Å; C542-C546 PolarHBondContact SG-SG 3.14Å; I543-C546 PolarHBondContact N-SG 2.93Å; K544-C546 VanDerWaalsContact C-N 3.27Å; K544-C546 PolarHBondContact N-SG 2.95Å; K544-C546 PolarHBondContact O-N 3.26Å; K544-C546 PolarHBondContact O-SG 3.02Å; C546-Y551 VanDerWaalsContact O-CE1 3.31Å; C546-Y551 WeakPolarHBondContact O-CE1 3.4Å; C546-R748 HydrophobicContact CB-CB 4.34Å; C546-R748 PolarHBondContact O-NH2 2.71Å; C546-R748 VanDerWaalsContact O-NH2 3.13Å; C546-T749 VanDerWaalsContact CB-O 3.32Å; C546-T749 WeakPolarHBondContact CB-O 3.27Å; C546-T749 PolarHBondContact SG-O 3Å |
| 547 | D | 80.4 | Confident | 87.2 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 16.9 | -169.3 | 58.8 | -24.1 | 0 | 0 | 0 | 113.3 | P611 F750 T751 | D547-P611 HydrophobicContact CB-CB 4.24Å; D547-P611 HydrophobicContact CB-CG 4.49Å; D547-P611 WeakPolarHBondContact O-CB 3.44Å; D547-F750 HydrophobicContact CB-CD1 3.91Å; D547-F750 HydrophobicContact CB-CE1 4.5Å; D547-F750 WeakPolarHBondContact OD2-CD1 3.4Å; D547-T751 VanDerWaalsContact CG-N 3.31Å; D547-T751 WeakPolarHBondContact OD1-CB 3.49Å; D547-T751 PolarHBondContact OD1-N 2.81Å; D547-T751 PolarHBondContact OD1-OG1 3.27Å; D547-T751 PolarHBondContact OD2-N 3.14Å |
| 548 | E | 77.7 | Confident | 87.2 | Confident | 137 Ų | 137 | 57.9 Ų | 57.9 | 64% | 0.64 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -83.7 | -41.2 | 174.3 | -59.7 | -167.3 | 158.1 | 0 | 0 | 112.8 | ||
| 549 | T | 83.7 | Confident | 87.2 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -120.7 | 156.1 | -173.3 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | Y551 P611 | T549-Y551 WeakPolarHBondContact O-CD1 3.31Å; T549-P611 WeakPolarHBondContact O-CD 3.43Å; T549-P611 WeakPolarHBondContact O-CG 3.11Å |
| 550 | P | 86.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | trans | -63.6 | 142.6 | 170.8 | -20.4 | 33.4 | 0 | 0 | 0 | 112.2 | V609 W610 | P550-V609 WeakPolarHBondContact CA-O 3.34Å; P550-W610 HydrophobicContact CB-CD2 4.23Å; P550-W610 HydrophobicContact CB-CE3 3.82Å; P550-W610 HydrophobicContact CB-CZ3 4.12Å; P550-W610 HydrophobicContact CG-CD2 4.4Å; P550-W610 HydrophobicContact CG-CE3 3.57Å; P550-W610 HydrophobicContact CG-CZ3 3.87Å | ||
| 551 | Y | 89.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 161.2 | 179.3 | 59 | -90 | 0 | 0 | 0 | 111.5 | C546 T549 V553 T608 V609 P611 L684 R748 | C546-Y551 VanDerWaalsContact O-CE1 3.31Å; C546-Y551 WeakPolarHBondContact O-CE1 3.4Å; T549-Y551 WeakPolarHBondContact O-CD1 3.31Å; Y551-V553 HydrophobicContact CD2-CG2 3.88Å; Y551-V553 HydrophobicContact CE2-CG2 3.83Å; Y551-T608 WeakPolarHBondContact O-CA 3.18Å; Y551-V609 HydrophobicContact CD1-CB 4.44Å; Y551-V609 HydrophobicContact CD2-CB 4.22Å; Y551-V609 HydrophobicContact CD2-CG2 4.37Å; Y551-V609 HydrophobicContact CE1-CB 4.02Å; Y551-V609 HydrophobicContact CE1-CG1 4.03Å; Y551-V609 HydrophobicContact CE2-CB 3.76Å; Y551-V609 HydrophobicContact CE2-CG1 4.34Å; Y551-V609 HydrophobicContact CE2-CG2 3.73Å; Y551-V609 PolarHBondContact N-O 3.36Å; Y551-V609 PolarHBondContact O-N 2.93Å; Y551-P611 HydrophobicContact CE1-CG 4.2Å; Y551-L684 VanDerWaalsContact OH-CD2 3.28Å; Y551-L684 WeakPolarHBondContact OH-CD2 3.47Å; Y551-R748 VanDerWaalsContact CD1-NH2 3.31Å; Y551-R748 HydrophobicContact CE2-CG 3.82Å; Y551-R748 WeakPolarHBondContact OH-CG 3.4Å |
| 552 | N | 90.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 152.9 | 173.4 | -70.4 | -29.1 | 0 | 0 | 0 | 110.4 | T606 L607 T608 | N552-T606 HydrophobicContact CB-CG2 3.95Å; N552-L607 CarbonylContact C-O 3.59Å; N552-L607 VanDerWaalsContact CA-O 3.29Å; N552-L607 WeakPolarHBondContact CA-O 3.44Å; N552-T608 WeakPolarHBondContact OD1-CA 3.33Å; N552-T608 WeakPolarHBondContact OD1-CB 3.26Å; N552-T608 WeakPolarHBondContact OD1-CG2 3.47Å; N552-T608 PolarHBondContact OD1-OG1 2.87Å |
| 553 | V | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 122.2 | 165.8 | -175 | 0 | 0 | 0 | 0 | 107.5 | P537 E540 Y551 W577 T606 L607 L686 A746 | P537-V553 HydrophobicContact CB-CG1 4.04Å; E540-V553 HydrophobicContact CB-CG1 4.43Å; E540-V553 HydrophobicContact CB-CG2 4.17Å; Y551-V553 HydrophobicContact CD2-CG2 3.88Å; Y551-V553 HydrophobicContact CE2-CG2 3.83Å; V553-W577 HydrophobicContact CG1-CH2 3.96Å; V553-W577 HydrophobicContact CG1-CZ3 4.22Å; V553-T606 WeakPolarHBondContact O-CA 3.39Å; V553-L607 PolarHBondContact N-O 3.29Å; V553-L607 PolarHBondContact O-N 2.62Å; V553-L686 HydrophobicContact CB-CD1 4.34Å; V553-L686 HydrophobicContact CG2-CD1 3.88Å; V553-A746 HydrophobicContact CG1-CB 3.73Å |
| 554 | S | 91.1 | Very high | 87.8 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.4 | -173.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | T605 T606 | S554-T605 CarbonylContact C-O 3.57Å; S554-T605 WeakPolarHBondContact CA-O 3.3Å; S554-T606 WeakPolarHBondContact OG-CG2 3.32Å; S554-T606 PolarHBondContact OG-OG1 2.79Å |
| 555 | C | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -139.5 | 118 | 173.9 | -174 | 0 | 0 | 0 | 0 | 109.2 | P537 W577 T605 C688 | P537-C555 HydrophobicContact CG-CB 3.89Å; C555-W577 HydrophobicContact CB-CH2 3.76Å; C555-W577 HydrophobicContact CB-CZ2 3.63Å; C555-T605 PolarHBondContact N-O 3.02Å; C555-T605 WeakPolarHBondContact O-CB 3.18Å; C555-T605 WeakPolarHBondContact O-CG2 3.2Å; C555-C688 HydrophobicContact CB-CB 3.61Å; C555-C688 WeakPolarHBondContact CB-SG 3.42Å; C555-C688 WeakPolarHBondContact SG-CB 3.4Å; C555-C688 CovalentContact SG-SG 2.03Å; C555-C688 PolarHBondContact SG-SG 3.45Å | ||
| 556 | A | 90.5 | Very high | 88.8 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L533 T534 I535 | L533-A556 CarbonylContact C-O 3.59Å; L533-A556 VanDerWaalsContact CA-O 3.27Å; L533-A556 WeakPolarHBondContact CA-O 3.34Å; T534-A556 PolarHBondContact N-O 3.04Å; I535-A556 HydrophobicContact CB-CB 3.93Å; I535-A556 HydrophobicContact CD1-CB 4.02Å; I535-A556 HydrophobicContact CG1-CB 4Å; I535-A556 PolarHBondContact N-O 3.49Å; I535-A556 PolarHBondContact O-N 3.34Å; I535-A556 VanDerWaalsContact O-N 3.11Å |
| 557 | L | 92 | Very high | 88.8 | Confident | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 155.7 | 173.9 | -80.7 | 165.3 | 0 | 0 | 0 | 111.9 | P531 L533 T534 E559 V562 W565 P573 I575 I690 | P531-L557 HydrophobicContact CB-CD2 4Å; L533-L557 HydrophobicContact CD2-CD2 4.5Å; T534-L557 PolarHBondContact OG1-O 3.43Å; L557-E559 PolarHBondContact O-N 2.83Å; L557-V562 HydrophobicContact CB-CG2 3.78Å; L557-V562 HydrophobicContact CD1-CG2 3.95Å; L557-V562 HydrophobicContact CG-CG2 4.43Å; L557-W565 HydrophobicContact CD1-CZ3 4.1Å; L557-W565 HydrophobicContact CD2-CH2 3.95Å; L557-W565 HydrophobicContact CD2-CZ3 4.03Å; L557-P573 HydrophobicContact CD1-CB 3.95Å; L557-P573 HydrophobicContact CD1-CG 4.41Å; L557-I575 HydrophobicContact CD1-CD1 3.94Å; L557-I575 HydrophobicContact CD1-CG1 4.11Å; L557-I575 HydrophobicContact CG-CD1 4.12Å; L557-I690 HydrophobicContact CD2-CD1 3.98Å; L557-I690 HydrophobicContact CG-CD1 4.5Å |
| 558 | N | 93.1 | Very high | 88.8 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | trans | -70.1 | 111.2 | 166.7 | -177.1 | -13.1 | 0 | 0 | 0 | 109.9 | Q532 T534 N560 I561 V562 | Q532-N558 HydrophobicContact CB-CB 4.13Å; Q532-N558 PolarHBondContact O-N 3.45Å; Q532-N558 PolarHBondContact OE1-ND2 2.86Å; T534-N558 VanDerWaalsContact OG1-CA 3.31Å; T534-N558 WeakPolarHBondContact OG1-CA 3.43Å; T534-N558 PolarHBondContact OG1-N 3.44Å; N558-N560 PolarHBondContact O-N 2.9Å; N558-N560 WeakPolarHBondContact OD1-CB 3.36Å; N558-N560 PolarHBondContact OD1-N 2.89Å; N558-N560 PolarHBondContact OD1-ND2 2.86Å; N558-I561 HydrophobicContact CB-CD1 4.35Å; N558-I561 HydrophobicContact CB-CG1 4.48Å; N558-I561 PolarHBondContact O-N 3.01Å; N558-V562 PolarHBondContact O-N 3.41Å; N558-V562 VanDerWaalsContact O-N 3.16Å | ||
| 559 | E | 91.4 | Very high | 89.1 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 70% | 0.696 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -55.4 | -35.4 | -176.7 | -66.7 | -174.4 | 179.8 | 0 | 0 | 113 | L557 I561 V562 Q563 | L557-E559 PolarHBondContact O-N 2.83Å; E559-I561 VanDerWaalsContact C-N 3.27Å; E559-I561 PolarHBondContact O-N 2.67Å; E559-V562 WeakPolarHBondContact O-CB 3.38Å; E559-V562 PolarHBondContact O-N 2.83Å; E559-V562 VanDerWaalsContact O-N 3.15Å; E559-Q563 WeakPolarHBondContact O-CG 3.5Å; E559-Q563 PolarHBondContact O-N 2.79Å |
| 560 | N | 92.2 | Very high | 89.1 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 179 | -59.4 | -74.9 | 0 | 0 | 0 | 111.7 | N558 Q563 E564 | N558-N560 PolarHBondContact O-N 2.9Å; N558-N560 WeakPolarHBondContact OD1-CB 3.36Å; N558-N560 PolarHBondContact OD1-N 2.89Å; N558-N560 PolarHBondContact OD1-ND2 2.86Å; N560-Q563 PolarHBondContact O-N 2.78Å; N560-E564 PolarHBondContact O-N 2.63Å |
| 561 | I | 92.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.072 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.3 | -36.2 | 177.3 | -67.2 | 177.9 | 0 | 0 | 0 | 110.7 | P529 Q532 N558 E559 Q563 E564 W565 | P529-I561 HydrophobicContact CB-CG2 4.46Å; P529-I561 HydrophobicContact CG-CG2 4.22Å; Q532-I561 HydrophobicContact CB-CD1 3.8Å; Q532-I561 HydrophobicContact CG-CD1 3.53Å; N558-I561 HydrophobicContact CB-CD1 4.35Å; N558-I561 HydrophobicContact CB-CG1 4.48Å; N558-I561 PolarHBondContact O-N 3.01Å; E559-I561 VanDerWaalsContact C-N 3.27Å; E559-I561 PolarHBondContact O-N 2.67Å; I561-Q563 VanDerWaalsContact C-N 3.26Å; I561-Q563 PolarHBondContact O-N 3.07Å; I561-E564 PolarHBondContact O-N 2.96Å; I561-W565 HydrophobicContact CG2-CD2 3.74Å; I561-W565 VanDerWaalsContact CG2-CE2 3.4Å; I561-W565 HydrophobicContact CG2-CE3 4.1Å; I561-W565 HydrophobicContact CG2-CG 4.34Å; I561-W565 HydrophobicContact CG2-CH2 3.85Å; I561-W565 HydrophobicContact CG2-CZ2 3.47Å; I561-W565 VanDerWaalsContact CG2-CZ2 3.47Å; I561-W565 HydrophobicContact CG2-CZ3 4.14Å; I561-W565 WeakPolarHBondContact O-CB 3.19Å; I561-W565 PolarHBondContact O-N 3.29Å |
| 562 | V | 91.5 | Very high | 89.1 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 171.9 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | L557 N558 E559 W565 K566 P573 | L557-V562 HydrophobicContact CB-CG2 3.78Å; L557-V562 HydrophobicContact CD1-CG2 3.95Å; L557-V562 HydrophobicContact CG-CG2 4.43Å; N558-V562 PolarHBondContact O-N 3.41Å; N558-V562 VanDerWaalsContact O-N 3.16Å; E559-V562 WeakPolarHBondContact O-CB 3.38Å; E559-V562 PolarHBondContact O-N 2.83Å; E559-V562 VanDerWaalsContact O-N 3.15Å; V562-W565 HydrophobicContact CG2-CE3 4.31Å; V562-W565 HydrophobicContact CG2-CZ3 4.23Å; V562-K566 HydrophobicContact CG1-CD 4.39Å; V562-K566 WeakPolarHBondContact O-CG 3.3Å; V562-K566 PolarHBondContact O-N 2.86Å; V562-P573 HydrophobicContact CG1-CG 3.96Å; V562-P573 HydrophobicContact CG2-CG 4.23Å |
| 563 | Q | 90.5 | Very high | 89.1 | Confident | 116 Ų | 116 | 49.6 Ų | 49.6 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72 | -39.5 | 173 | -63 | -62.6 | -7.4 | 0 | 0 | 112.3 | E559 N560 I561 K566 S567 | E559-Q563 WeakPolarHBondContact O-CG 3.5Å; E559-Q563 PolarHBondContact O-N 2.79Å; N560-Q563 PolarHBondContact O-N 2.78Å; I561-Q563 VanDerWaalsContact C-N 3.26Å; I561-Q563 PolarHBondContact O-N 3.07Å; Q563-K566 PolarHBondContact O-N 3.08Å; Q563-S567 VanDerWaalsContact O-CB 3.3Å; Q563-S567 WeakPolarHBondContact O-CB 3.4Å; Q563-S567 PolarHBondContact O-N 3.31Å; Q563-S567 PolarHBondContact O-OG 3.01Å |
| 564 | E | 89.2 | Confident | 88.9 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 175.9 | -166.1 | -172.7 | 166.6 | 0 | 0 | 111.5 | N560 I561 K566 S567 K568 F569 | N560-E564 PolarHBondContact O-N 2.63Å; I561-E564 PolarHBondContact O-N 2.96Å; E564-K566 VanDerWaalsContact C-N 3.31Å; E564-K566 PolarHBondContact O-N 2.67Å; E564-S567 PolarHBondContact O-N 3.24Å; E564-K568 HydrophobicContact CG-CB 4.1Å; E564-K568 HydrophobicContact CG-CD 4.16Å; E564-K568 WeakPolarHBondContact O-CB 3.49Å; E564-K568 PolarHBondContact O-N 3.11Å; E564-K568 WeakPolarHBondContact OE1-CD 3.42Å; E564-K568 IonicContact OE1-NZ 2.88Å; E564-F569 HydrophobicContact CG-CE2 4Å |
| 565 | W | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.6 | -47.3 | 174.7 | -76.7 | -23 | 0 | 0 | 0 | 112 | P529 P531 L557 I561 V562 F569 N570 I571 P573 L692 | P529-W565 PolarHBondContact O-NE1 3.02Å; P531-W565 HydrophobicContact CB-CH2 3.95Å; P531-W565 HydrophobicContact CB-CZ2 4.39Å; P531-W565 HydrophobicContact CG-CH2 3.91Å; P531-W565 HydrophobicContact CG-CZ2 4.11Å; L557-W565 HydrophobicContact CD1-CZ3 4.1Å; L557-W565 HydrophobicContact CD2-CH2 3.95Å; L557-W565 HydrophobicContact CD2-CZ3 4.03Å; I561-W565 HydrophobicContact CG2-CD2 3.74Å; I561-W565 VanDerWaalsContact CG2-CE2 3.4Å; I561-W565 HydrophobicContact CG2-CE3 4.1Å; I561-W565 HydrophobicContact CG2-CG 4.34Å; I561-W565 HydrophobicContact CG2-CH2 3.85Å; I561-W565 HydrophobicContact CG2-CZ2 3.47Å; I561-W565 VanDerWaalsContact CG2-CZ2 3.47Å; I561-W565 HydrophobicContact CG2-CZ3 4.14Å; I561-W565 WeakPolarHBondContact O-CB 3.19Å; I561-W565 PolarHBondContact O-N 3.29Å; V562-W565 HydrophobicContact CG2-CE3 4.31Å; V562-W565 HydrophobicContact CG2-CZ3 4.23Å; W565-F569 CarbonylContact O-C 3.57Å; W565-F569 PolarHBondContact O-N 3.42Å; W565-N570 PolarHBondContact O-N 2.83Å; W565-I571 CarbonylContact C-O 3.58Å; W565-I571 HydrophobicContact CB-CB 3.94Å; W565-I571 HydrophobicContact CB-CG2 4.08Å; W565-I571 HydrophobicContact CG-CB 4.42Å; W565-I571 HydrophobicContact CG-CG2 4.19Å; W565-I571 PolarHBondContact O-N 2.84Å; W565-P573 HydrophobicContact CE3-CB 3.96Å; W565-P573 HydrophobicContact CE3-CG 4.07Å; W565-P573 HydrophobicContact CZ3-CB 3.84Å; W565-P573 HydrophobicContact CZ3-CG 4.3Å; W565-L692 HydrophobicContact CD2-CD1 4.33Å; W565-L692 HydrophobicContact CD2-CD2 4.22Å; W565-L692 HydrophobicContact CE3-CD2 3.83Å; W565-L692 HydrophobicContact CH2-CD1 4.06Å; W565-L692 HydrophobicContact CH2-CD2 3.64Å; W565-L692 HydrophobicContact CH2-CG 4.47Å; W565-L692 HydrophobicContact CZ2-CD1 3.59Å; W565-L692 HydrophobicContact CZ2-CD2 4.02Å; W565-L692 HydrophobicContact CZ2-CG 4.45Å; W565-L692 HydrophobicContact CZ3-CD2 3.53Å |
| 566 | K | 87.5 | Confident | 88.6 | Confident | 106 Ų | 106 | 53.4 Ų | 53.4 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -51.5 | 177 | -72 | 173.8 | 179.7 | -180 | 0 | 112.2 | V562 Q563 E564 N570 | V562-K566 HydrophobicContact CG1-CD 4.39Å; V562-K566 WeakPolarHBondContact O-CG 3.3Å; V562-K566 PolarHBondContact O-N 2.86Å; Q563-K566 PolarHBondContact O-N 3.08Å; E564-K566 VanDerWaalsContact C-N 3.31Å; E564-K566 PolarHBondContact O-N 2.67Å; K566-N570 WeakPolarHBondContact O-CA 3.37Å; K566-N570 PolarHBondContact O-N 2.87Å |
| 567 | S | 82.6 | Confident | 88.5 | Confident | 100 Ų | 100 | 52.4 Ų | 52.4 | 70% | 0.699 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -80.9 | -34.7 | -168.7 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | Q563 E564 | Q563-S567 VanDerWaalsContact O-CB 3.3Å; Q563-S567 WeakPolarHBondContact O-CB 3.4Å; Q563-S567 PolarHBondContact O-N 3.31Å; Q563-S567 PolarHBondContact O-OG 3.01Å; E564-S567 PolarHBondContact O-N 3.24Å |
| 568 | K | 80.8 | Confident | 88.3 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -96 | -32 | -176.3 | -178.6 | -178.1 | 168.4 | -164 | 0 | 113 | S19 D505 E564 | S19-K568 PolarHBondContact OG-O 3.44Å; D505-K568 VanDerWaalsContact OD2-CE 3.28Å; D505-K568 WeakPolarHBondContact OD2-CE 3.49Å; D505-K568 IonicContact OD2-NZ 3.89Å; D505-K568 PolarHBondContact OD2-NZ 2.76Å; E564-K568 HydrophobicContact CG-CB 4.1Å; E564-K568 HydrophobicContact CG-CD 4.16Å; E564-K568 WeakPolarHBondContact O-CB 3.49Å; E564-K568 PolarHBondContact O-N 3.11Å; E564-K568 WeakPolarHBondContact OE1-CD 3.42Å; E564-K568 IonicContact OE1-NZ 2.88Å |
| 569 | F | 84.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -122.6 | -9.8 | -169 | -54.1 | -87.9 | 0 | 0 | 0 | 114.8 | Y424 K526 V527 V528 P529 E564 W565 I571 | Y424-F569 HydrophobicContact CD1-CD1 4.47Å; Y424-F569 HydrophobicContact CE1-CD1 4.13Å; Y424-F569 HydrophobicContact CE2-CB 4.18Å; Y424-F569 VanDerWaalsContact CE2-O 3.24Å; Y424-F569 WeakPolarHBondContact CE2-O 3.47Å; Y424-F569 VanDerWaalsContact CZ-O 3.3Å; Y424-F569 WeakPolarHBondContact OH-CA 3.34Å; Y424-F569 PolarHBondContact OH-O 2.85Å; K526-F569 HydrophobicContact CB-CD1 4.38Å; K526-F569 HydrophobicContact CB-CE1 4.01Å; V527-F569 VanDerWaalsContact O-CZ 3.25Å; V527-F569 WeakPolarHBondContact O-CZ 3.36Å; V528-F569 HydrophobicContact CB-CE1 4.46Å; V528-F569 HydrophobicContact CG2-CD1 3.83Å; V528-F569 HydrophobicContact CG2-CE1 3.83Å; V528-F569 HydrophobicContact CG2-CG 4.43Å; V528-F569 HydrophobicContact CG2-CZ 4.44Å; P529-F569 HydrophobicContact CG-CE2 4.45Å; E564-F569 HydrophobicContact CG-CE2 4Å; W565-F569 CarbonylContact O-C 3.57Å; W565-F569 PolarHBondContact O-N 3.42Å; F569-I571 HydrophobicContact CB-CB 4.5Å; F569-I571 HydrophobicContact CB-CD1 3.42Å; F569-I571 VanDerWaalsContact CB-CD1 3.42Å; F569-I571 HydrophobicContact CB-CG1 3.79Å; F569-I571 HydrophobicContact CG-CD1 4.05Å |
| 570 | N | 83.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 44.6 Ų | 44.6 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | trans | 54.3 | 51.3 | -173.7 | -164.9 | 38 | 0 | 0 | 0 | 112.4 | W565 K566 T695 | W565-N570 PolarHBondContact O-N 2.83Å; K566-N570 WeakPolarHBondContact O-CA 3.37Å; K566-N570 PolarHBondContact O-N 2.87Å; N570-T695 PolarHBondContact ND2-O 3.49Å; N570-T695 VanDerWaalsContact ND2-O 3.08Å; N570-T695 PolarHBondContact ND2-OG1 3.13Å; N570-T695 VanDerWaalsContact ND2-OG1 3.1Å; N570-T695 PolarHBondContact O-N 3.42Å; N570-T695 PolarHBondContact O-OG1 2.73Å; N570-T695 PolarHBondContact OD1-OG1 2.8Å | ||
| 571 | I | 86.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.6 | 178.8 | -68 | 165.2 | 0 | 0 | 0 | 109.8 | Y424 V528 W565 F569 L692 S693 V694 I729 | Y424-I571 HydrophobicContact CD2-CD1 4.35Å; Y424-I571 HydrophobicContact CE2-CD1 4.39Å; Y424-I571 HydrophobicContact CE2-CG1 4.37Å; V528-I571 HydrophobicContact CG1-CD1 3.67Å; V528-I571 HydrophobicContact CG2-CD1 4Å; W565-I571 CarbonylContact C-O 3.58Å; W565-I571 HydrophobicContact CB-CB 3.94Å; W565-I571 HydrophobicContact CB-CG2 4.08Å; W565-I571 HydrophobicContact CG-CB 4.42Å; W565-I571 HydrophobicContact CG-CG2 4.19Å; W565-I571 PolarHBondContact O-N 2.84Å; F569-I571 HydrophobicContact CB-CB 4.5Å; F569-I571 HydrophobicContact CB-CD1 3.42Å; F569-I571 VanDerWaalsContact CB-CD1 3.42Å; F569-I571 HydrophobicContact CB-CG1 3.79Å; F569-I571 HydrophobicContact CG-CD1 4.05Å; I571-L692 HydrophobicContact CG2-CB 3.82Å; I571-S693 WeakPolarHBondContact CA-O 3.46Å; I571-V694 HydrophobicContact CG1-CG2 3.85Å; I571-I729 HydrophobicContact CD1-CD1 3.48Å; I571-I729 VanDerWaalsContact CD1-CD1 3.48Å; I571-I729 HydrophobicContact CG1-CD1 3.96Å; I571-I729 HydrophobicContact CG2-CD1 4.25Å |
| 572 | E | 87.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.4 | 170.9 | -68.5 | -175.8 | 150.6 | 0 | 0 | 110.8 | S693 T695 N726 | E572-S693 PolarHBondContact N-O 3.38Å; E572-S693 PolarHBondContact O-N 2.71Å; E572-T695 HydrophobicContact CG-CG2 3.73Å; E572-T695 VanDerWaalsContact OE2-CG2 3.23Å; E572-T695 WeakPolarHBondContact OE2-CG2 3.41Å; E572-N726 PolarHBondContact OE2-ND2 2.9Å |
| 573 | P | 90.3 | Very high | 86.3 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 151.4 | 168.2 | 33.2 | -33.1 | 0 | 0 | 0 | 111.6 | L557 V562 W565 R691 L692 | L557-P573 HydrophobicContact CD1-CB 3.95Å; L557-P573 HydrophobicContact CD1-CG 4.41Å; V562-P573 HydrophobicContact CG1-CG 3.96Å; V562-P573 HydrophobicContact CG2-CG 4.23Å; W565-P573 HydrophobicContact CE3-CB 3.96Å; W565-P573 HydrophobicContact CE3-CG 4.07Å; W565-P573 HydrophobicContact CZ3-CB 3.84Å; W565-P573 HydrophobicContact CZ3-CG 4.3Å; P573-R691 CarbonylContact C-O 3.6Å; P573-R691 WeakPolarHBondContact CA-O 3.21Å; P573-L692 HydrophobicContact CB-CD2 3.67Å |
| 574 | S | 88.4 | Confident | 85.9 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.8 | 167.5 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | I690 R691 | S574-I690 WeakPolarHBondContact O-CA 3.48Å; S574-R691 PolarHBondContact N-O 2.91Å; S574-R691 PolarHBondContact O-N 3.37Å; S574-R691 PolarHBondContact OG-O 2.96Å |
| 575 | I | 87.9 | Confident | 85.2 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.7 | 176.8 | -54.2 | 177.7 | 0 | 0 | 0 | 108 | L557 T605 W689 | L557-I575 HydrophobicContact CD1-CD1 3.94Å; L557-I575 HydrophobicContact CD1-CG1 4.11Å; L557-I575 HydrophobicContact CG-CD1 4.12Å; I575-T605 HydrophobicContact CD1-CG2 4.41Å; I575-W689 CarbonylContact C-O 3.56Å; I575-W689 WeakPolarHBondContact CA-O 3.4Å |
| 576 | D | 88.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 177.9 | 170.5 | -167.6 | -15.3 | 0 | 0 | 0 | 106.3 | K585 W689 R691 Q718 | D576-K585 VanDerWaalsContact OD1-CB 3.23Å; D576-K585 WeakPolarHBondContact OD1-CB 3.19Å; D576-K585 PolarHBondContact OD1-N 3.15Å; D576-W689 HydrophobicContact CB-CB 4.45Å; D576-W689 HydrophobicContact CB-CD2 4.41Å; D576-W689 HydrophobicContact CB-CE3 3.69Å; D576-W689 HydrophobicContact CB-CZ3 4.35Å; D576-W689 PolarHBondContact N-O 2.86Å; D576-W689 WeakPolarHBondContact O-CA 3.35Å; D576-W689 WeakPolarHBondContact O-CB 3.46Å; D576-W689 PolarHBondContact O-N 3.25Å; D576-R691 IonicContact OD2-NH2 2.6Å; D576-R691 PolarHBondContact OD2-NH2 3.31Å; D576-Q718 PolarHBondContact OD2-NE2 3.15Å |
| 577 | W | 88 | Confident | 84 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.7 | 179.6 | -74.5 | 93.5 | 0 | 0 | 0 | 111.6 | P537 V553 C555 T584 K585 D604 L607 L686 C688 | P537-W577 HydrophobicContact CB-CH2 4.43Å; P537-W577 HydrophobicContact CB-CZ3 4.44Å; P537-W577 HydrophobicContact CG-CH2 3.95Å; P537-W577 HydrophobicContact CG-CZ3 4.16Å; V553-W577 HydrophobicContact CG1-CH2 3.96Å; V553-W577 HydrophobicContact CG1-CZ3 4.22Å; C555-W577 HydrophobicContact CB-CH2 3.76Å; C555-W577 HydrophobicContact CB-CZ2 3.63Å; W577-T584 CarbonylContact O-C 3.56Å; W577-T584 WeakPolarHBondContact O-CA 3.17Å; W577-K585 PolarHBondContact O-N 3.03Å; W577-D604 PolarHBondContact NE1-O 2.95Å; W577-L607 HydrophobicContact CB-CD1 3.99Å; W577-L607 HydrophobicContact CB-CD2 4.38Å; W577-L607 HydrophobicContact CB-CG 4.43Å; W577-L607 HydrophobicContact CD2-CD1 3.54Å; W577-L607 HydrophobicContact CD2-CD2 4.41Å; W577-L607 HydrophobicContact CD2-CG 3.68Å; W577-L607 HydrophobicContact CE3-CD1 3.66Å; W577-L607 HydrophobicContact CE3-CG 4.22Å; W577-L607 HydrophobicContact CG-CD1 3.71Å; W577-L607 HydrophobicContact CG-CD2 3.97Å; W577-L607 HydrophobicContact CG-CG 3.77Å; W577-L607 HydrophobicContact CZ2-CG 4.33Å; W577-L607 HydrophobicContact CZ3-CD1 4.31Å; W577-L686 HydrophobicContact CZ3-CB 4.49Å; W577-C688 HydrophobicContact CE3-CB 4.43Å; W577-C688 HydrophobicContact CH2-CB 4.36Å; W577-C688 HydrophobicContact CZ3-CB 4.14Å |
| 578 | I | 88.6 | Confident | 83.8 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126 | 171.8 | -65.8 | 164.1 | 0 | 0 | 0 | 108.5 | W583 T584 S687 W689 R733 | I578-W583 WeakPolarHBondContact CA-O 3.48Å; I578-T584 HydrophobicContact CG1-CG2 4.48Å; I578-S687 PolarHBondContact N-O 3.46Å; I578-S687 PolarHBondContact O-N 2.74Å; I578-W689 HydrophobicContact CD1-CB 3.77Å; I578-W689 HydrophobicContact CD1-CD2 3.96Å; I578-W689 HydrophobicContact CD1-CE3 4.39Å; I578-W689 HydrophobicContact CD1-CG 3.66Å; I578-W689 HydrophobicContact CG1-CB 3.96Å; I578-W689 HydrophobicContact CG1-CD2 4.27Å; I578-W689 HydrophobicContact CG1-CE3 4.24Å; I578-W689 HydrophobicContact CG1-CG 4.17Å; I578-R733 HydrophobicContact CD1-CG 3.64Å |
| 579 | I | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.8 | -173.5 | -58.3 | 168 | 0 | 0 | 0 | 108.6 | N581 H582 W583 L588 L593 I597 L686 | I579-N581 PolarHBondContact O-N 3.26Å; I579-N581 VanDerWaalsContact O-N 3.07Å; I579-H582 PolarHBondContact O-N 2.87Å; I579-W583 HydrophobicContact CG2-CE3 4.24Å; I579-W583 PolarHBondContact N-O 3.2Å; I579-W583 PolarHBondContact O-N 2.84Å; I579-W583 VanDerWaalsContact O-N 3.11Å; I579-L588 HydrophobicContact CD1-CD2 3.48Å; I579-L588 VanDerWaalsContact CD1-CD2 3.48Å; I579-L588 HydrophobicContact CD1-CG 4.17Å; I579-L593 HydrophobicContact CG2-CD2 3.8Å; I579-I597 HydrophobicContact CD1-CD1 4.19Å; I579-I597 HydrophobicContact CD1-CG2 4.12Å; I579-I597 HydrophobicContact CG2-CD1 3.83Å; I579-L686 HydrophobicContact CB-CD2 4.31Å; I579-L686 HydrophobicContact CG1-CD2 4Å; I579-L686 HydrophobicContact CG2-CD2 3.96Å |
| 580 | Q | 86.6 | Confident | 83 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 28.3 | -178.4 | -150.6 | 64.7 | 15.2 | 0 | 0 | 114.3 | H582 W583 I673 D683 I685 | Q580-H582 PolarHBondContact O-CD2 2.63Å; Q580-H582 PolarHBondContact O-N 2.83Å; Q580-W583 HydrophobicContact CB-CE3 4.33Å; Q580-W583 HydrophobicContact CB-CZ3 3.9Å; Q580-I673 HydrophobicContact CB-CD1 4.46Å; Q580-I673 HydrophobicContact CG-CD1 3.65Å; Q580-D683 PolarHBondContact NE2-O 3.32Å; Q580-I685 PolarHBondContact N-O 2.76Å |
| 581 | N | 82.2 | Confident | 82.5 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 11.2 | -171.1 | -57.5 | -30.5 | 0 | 0 | 0 | 115.4 | I579 F713 | I579-N581 PolarHBondContact O-N 3.26Å; I579-N581 VanDerWaalsContact O-N 3.07Å; N581-F713 VanDerWaalsContact O-CE1 3.22Å; N581-F713 WeakPolarHBondContact O-CE1 3.48Å |
| 582 | H | 79.1 | Confident | 82.1 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -34.2 | -173.1 | -75.2 | -62 | 0 | 0 | 0 | 114.5 | I579 Q580 F713 | I579-H582 PolarHBondContact O-N 2.87Å; Q580-H582 PolarHBondContact O-CD2 2.63Å; Q580-H582 PolarHBondContact O-N 2.83Å; H582-F713 AromaticContact ND1-CZ 3.75Å |
| 583 | W | 82.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142 | -170.6 | -51 | -66.9 | 0 | 0 | 0 | 111.7 | I578 I579 Q580 H587 T591 L593 L669 K672 I673 | I578-W583 WeakPolarHBondContact CA-O 3.48Å; I579-W583 HydrophobicContact CG2-CE3 4.24Å; I579-W583 PolarHBondContact N-O 3.2Å; I579-W583 PolarHBondContact O-N 2.84Å; I579-W583 VanDerWaalsContact O-N 3.11Å; Q580-W583 HydrophobicContact CB-CE3 4.33Å; Q580-W583 HydrophobicContact CB-CZ3 3.9Å; W583-H587 HydrophobicContact CB-CB 4.38Å; W583-T591 VanDerWaalsContact CD1-CG2 3.49Å; W583-T591 HydrophobicContact CG-CG2 4.13Å; W583-L593 HydrophobicContact CD2-CD1 3.77Å; W583-L593 HydrophobicContact CE3-CD1 3.74Å; W583-L593 HydrophobicContact CE3-CD2 3.78Å; W583-L593 HydrophobicContact CE3-CG 4.46Å; W583-L593 HydrophobicContact CG-CD1 4.38Å; W583-L593 HydrophobicContact CH2-CD1 4.21Å; W583-L593 HydrophobicContact CZ2-CD1 4.26Å; W583-L593 HydrophobicContact CZ3-CD1 3.97Å; W583-L593 HydrophobicContact CZ3-CD2 3.98Å; W583-L669 HydrophobicContact CH2-CD2 3.83Å; W583-L669 HydrophobicContact CZ3-CD2 3.48Å; W583-L669 VanDerWaalsContact CZ3-CD2 3.48Å; W583-K672 HydrophobicContact CH2-CB 4.18Å; W583-K672 HydrophobicContact CZ2-CB 4.09Å; W583-I673 HydrophobicContact CH2-CD1 3.97Å; W583-I673 HydrophobicContact CH2-CG1 3.71Å; W583-I673 HydrophobicContact CZ2-CG1 4.36Å; W583-I673 HydrophobicContact CZ3-CD1 4.41Å |
| 584 | T | 82.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 167 | 168.7 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | W577 I578 A586 H587 W689 | W577-T584 CarbonylContact O-C 3.56Å; W577-T584 WeakPolarHBondContact O-CA 3.17Å; I578-T584 HydrophobicContact CG1-CG2 4.48Å; T584-A586 PolarHBondContact O-N 3.23Å; T584-A586 VanDerWaalsContact O-N 3.1Å; T584-H587 PolarHBondContact O-N 3.38Å; T584-H587 PolarHBondContact OG1-ND1 3.49Å; T584-W689 HydrophobicContact CG2-CE3 4.13Å; T584-W689 HydrophobicContact CG2-CZ3 3.76Å |
| 585 | K | 73.8 | Confident | 81.3 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -48.5 | -42.2 | 177.1 | -173.6 | -162.7 | 144.8 | 169.2 | 0 | 112 | D576 W577 H587 L588 S599 D604 | D576-K585 VanDerWaalsContact OD1-CB 3.23Å; D576-K585 WeakPolarHBondContact OD1-CB 3.19Å; D576-K585 PolarHBondContact OD1-N 3.15Å; W577-K585 PolarHBondContact O-N 3.03Å; K585-H587 PolarHBondContact O-N 3.38Å; K585-L588 HydrophobicContact CG-CD1 3.92Å; K585-L588 WeakPolarHBondContact O-CB 3.24Å; K585-L588 WeakPolarHBondContact O-CG 3.43Å; K585-L588 PolarHBondContact O-N 3.29Å; K585-S599 WeakPolarHBondContact CE-OG 3.42Å; K585-S599 PolarHBondContact NZ-OG 2.99Å; K585-S599 VanDerWaalsContact NZ-OG 3.09Å; K585-D604 HydrophobicContact CD-CB 4.48Å; K585-D604 IonicContact NZ-OD1 3.69Å; K585-D604 PolarHBondContact NZ-OD1 2.73Å; K585-D604 IonicContact NZ-OD2 3.72Å; K585-D604 PolarHBondContact NZ-OD2 3.17Å |
| 586 | A | 73.9 | Confident | 81.3 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -59.7 | -10.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T584 | T584-A586 PolarHBondContact O-N 3.23Å; T584-A586 VanDerWaalsContact O-N 3.1Å |
| 587 | H | 77.6 | Confident | 81.3 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -109 | 0.9 | 180 | -61.1 | 86.4 | 0 | 0 | 0 | 113.5 | W583 T584 K585 E589 S590 T591 | W583-H587 HydrophobicContact CB-CB 4.38Å; T584-H587 PolarHBondContact O-N 3.38Å; T584-H587 PolarHBondContact OG1-ND1 3.49Å; K585-H587 PolarHBondContact O-N 3.38Å; H587-E589 PolarHBondContact O-N 3Å; H587-S590 PolarHBondContact O-OG 2.84Å; H587-T591 HydrophobicContact CB-CG2 4.03Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.35Å; H587-T591 WeakPolarHBondContact O-CG2 3.25Å; H587-T591 PolarHBondContact O-N 2.61Å; H587-T591 PolarHBondContact O-OG1 3.33Å |
| 588 | L | 78.8 | Confident | 81.1 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.7 | -52.7 | -178.3 | -80.3 | 171.3 | 0 | 0 | 0 | 112.6 | I579 K585 T591 G592 L593 G594 I597 | I579-L588 HydrophobicContact CD1-CD2 3.48Å; I579-L588 VanDerWaalsContact CD1-CD2 3.48Å; I579-L588 HydrophobicContact CD1-CG 4.17Å; K585-L588 HydrophobicContact CG-CD1 3.92Å; K585-L588 WeakPolarHBondContact O-CB 3.24Å; K585-L588 WeakPolarHBondContact O-CG 3.43Å; K585-L588 PolarHBondContact O-N 3.29Å; L588-T591 PolarHBondContact O-OG1 3.3Å; L588-G592 PolarHBondContact O-N 3.31Å; L588-L593 HydrophobicContact CD2-CB 3.8Å; L588-L593 PolarHBondContact O-N 3.3Å; L588-G594 PolarHBondContact O-N 3.43Å; L588-I597 HydrophobicContact CD2-CB 3.81Å; L588-I597 HydrophobicContact CD2-CG2 3.98Å |
| 589 | E | 74.8 | Confident | 80.7 | Confident | 180 Ų | 180 | 45.5 Ų | 45.5 | 84% | 0.841 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.3 | -48.1 | -178.5 | -61 | -175.2 | 163.6 | 0 | 0 | 111.9 | H587 T591 G592 | H587-E589 PolarHBondContact O-N 3Å; E589-T591 VanDerWaalsContact C-N 3.28Å; E589-T591 PolarHBondContact O-N 3.2Å; E589-G592 PolarHBondContact O-N 3.25Å; E589-G592 VanDerWaalsContact O-N 3.11Å |
| 590 | S | 73.6 | Confident | 79.9 | Confident | 95 Ų | 95 | 52.4 Ų | 52.4 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.8 | -22.5 | -174.9 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | H587 | H587-S590 PolarHBondContact O-OG 2.84Å |
| 591 | T | 72.4 | Confident | 78.6 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.135 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -88.1 | -21.2 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | W583 H587 L588 E589 L593 K672 | W583-T591 VanDerWaalsContact CD1-CG2 3.49Å; W583-T591 HydrophobicContact CG-CG2 4.13Å; H587-T591 HydrophobicContact CB-CG2 4.03Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.35Å; H587-T591 WeakPolarHBondContact O-CG2 3.25Å; H587-T591 PolarHBondContact O-N 2.61Å; H587-T591 PolarHBondContact O-OG1 3.33Å; L588-T591 PolarHBondContact O-OG1 3.3Å; E589-T591 VanDerWaalsContact C-N 3.28Å; E589-T591 PolarHBondContact O-N 3.2Å; T591-L593 WeakPolarHBondContact OG1-CD1 3.31Å; T591-L593 PolarHBondContact OG1-N 3.06Å; T591-K672 WeakPolarHBondContact O-CE 3.43Å; T591-K672 PolarHBondContact O-NZ 2.61Å |
| 592 | G | 80.1 | Confident | 77.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L588 E589 G594 Q595 | L588-G592 PolarHBondContact O-N 3.31Å; E589-G592 PolarHBondContact O-N 3.25Å; E589-G592 VanDerWaalsContact O-N 3.11Å; G592-G594 PolarHBondContact O-N 3.2Å; G592-Q595 WeakPolarHBondContact O-CG 3.44Å |
| 593 | L | 83.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -66.1 | -20.7 | 173.3 | -86.6 | 97.8 | 0 | 0 | 0 | 113.1 | I579 W583 L588 T591 Q595 F596 I597 F668 L669 | I579-L593 HydrophobicContact CG2-CD2 3.8Å; W583-L593 HydrophobicContact CD2-CD1 3.77Å; W583-L593 HydrophobicContact CE3-CD1 3.74Å; W583-L593 HydrophobicContact CE3-CD2 3.78Å; W583-L593 HydrophobicContact CE3-CG 4.46Å; W583-L593 HydrophobicContact CG-CD1 4.38Å; W583-L593 HydrophobicContact CH2-CD1 4.21Å; W583-L593 HydrophobicContact CZ2-CD1 4.26Å; W583-L593 HydrophobicContact CZ3-CD1 3.97Å; W583-L593 HydrophobicContact CZ3-CD2 3.98Å; L588-L593 HydrophobicContact CD2-CB 3.8Å; L588-L593 PolarHBondContact O-N 3.3Å; T591-L593 WeakPolarHBondContact OG1-CD1 3.31Å; T591-L593 PolarHBondContact OG1-N 3.06Å; L593-Q595 PolarHBondContact O-N 3.45Å; L593-Q595 VanDerWaalsContact O-N 3.07Å; L593-F596 CarbonylContact O-C 3.53Å; L593-F596 WeakPolarHBondContact O-CA 3.48Å; L593-F596 PolarHBondContact O-N 2.8Å; L593-I597 HydrophobicContact CD2-CD1 4.14Å; L593-I597 PolarHBondContact O-N 3.24Å; L593-F668 HydrophobicContact CD1-CE1 3.82Å; L593-F668 HydrophobicContact CG-CD1 4.44Å; L593-F668 HydrophobicContact CG-CE1 3.89Å; L593-L669 HydrophobicContact CD2-CD2 4.34Å |
| 594 | G | 82 | Confident | 75.6 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -59 | -18.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L588 G592 F596 I597 | L588-G594 PolarHBondContact O-N 3.43Å; G592-G594 PolarHBondContact O-N 3.2Å; G594-F596 VanDerWaalsContact C-N 3.32Å; G594-I597 WeakPolarHBondContact CA-O 3.49Å |
| 595 | Q | 83.8 | Confident | 75.5 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -77.4 | -17.7 | 171.7 | 78.4 | -171.7 | 10.8 | 0 | 0 | 113.2 | G592 L593 G613 K614 | G592-Q595 WeakPolarHBondContact O-CG 3.44Å; L593-Q595 PolarHBondContact O-N 3.45Å; L593-Q595 VanDerWaalsContact O-N 3.07Å; Q595-G613 CarbonylContact O-C 3.52Å; Q595-G613 WeakPolarHBondContact O-CA 3.43Å; Q595-K614 PolarHBondContact O-N 2.88Å |
| 596 | F | 87 | Confident | 76.1 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -26.5 | 179.5 | -57.3 | -72.3 | 0 | 0 | 0 | 113.4 | L593 G594 V609 W610 T663 L665 F668 | L593-F596 CarbonylContact O-C 3.53Å; L593-F596 WeakPolarHBondContact O-CA 3.48Å; L593-F596 PolarHBondContact O-N 2.8Å; G594-F596 VanDerWaalsContact C-N 3.32Å; F596-V609 CarbonylContact O-C 3.55Å; F596-V609 WeakPolarHBondContact O-CA 3.4Å; F596-W610 WeakPolarHBondContact CD1-O 3.44Å; F596-W610 PolarHBondContact O-N 3.44Å; F596-T663 VanDerWaalsContact CE1-O 3.27Å; F596-T663 WeakPolarHBondContact CE1-O 3.32Å; F596-T663 VanDerWaalsContact CZ-O 3.31Å; F596-T663 WeakPolarHBondContact CZ-O 3.41Å; F596-L665 HydrophobicContact CB-CB 4.31Å; F596-L665 HydrophobicContact CB-CD1 3.8Å; F596-L665 HydrophobicContact CB-CD2 4.48Å; F596-L665 HydrophobicContact CB-CG 4.41Å; F596-L665 HydrophobicContact CD1-CB 3.87Å; F596-L665 HydrophobicContact CD2-CD1 4.07Å; F596-L665 HydrophobicContact CE1-CB 4.33Å; F596-L665 HydrophobicContact CG-CB 4.07Å; F596-L665 HydrophobicContact CG-CD1 3.93Å; F596-F668 HydrophobicContact CD2-CB 4.44Å; F596-F668 HydrophobicContact CD2-CD1 4.12Å; F596-F668 HydrophobicContact CD2-CG 4.22Å; F596-F668 HydrophobicContact CE2-CB 3.54Å; F596-F668 AromaticContact CE2-CD1 3.76Å; F596-F668 HydrophobicContact CE2-CD1 3.76Å; F596-F668 AromaticContact CE2-CD2 3.71Å; F596-F668 HydrophobicContact CE2-CD2 3.71Å; F596-F668 HydrophobicContact CE2-CE1 4.32Å; F596-F668 HydrophobicContact CE2-CE2 4.27Å; F596-F668 AromaticContact CE2-CG 3.4Å; F596-F668 HydrophobicContact CE2-CG 3.4Å; F596-F668 VanDerWaalsContact CE2-CG 3.4Å; F596-F668 HydrophobicContact CZ-CB 3.85Å; F596-F668 HydrophobicContact CZ-CD2 4.37Å; F596-F668 HydrophobicContact CZ-CG 4.16Å |
| 597 | I | 88.1 | Confident | 76.8 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.7 | -175.6 | -57.9 | -179.5 | 0 | 0 | 0 | 109.2 | I579 L588 L593 G594 L607 T608 V609 L686 | I579-I597 HydrophobicContact CD1-CD1 4.19Å; I579-I597 HydrophobicContact CD1-CG2 4.12Å; I579-I597 HydrophobicContact CG2-CD1 3.83Å; L588-I597 HydrophobicContact CD2-CB 3.81Å; L588-I597 HydrophobicContact CD2-CG2 3.98Å; L593-I597 HydrophobicContact CD2-CD1 4.14Å; L593-I597 PolarHBondContact O-N 3.24Å; G594-I597 WeakPolarHBondContact CA-O 3.49Å; I597-L607 HydrophobicContact CG2-CB 4.37Å; I597-L607 HydrophobicContact CG2-CD1 4.24Å; I597-L607 HydrophobicContact CG2-CD2 4.05Å; I597-L607 HydrophobicContact CG2-CG 4.46Å; I597-T608 WeakPolarHBondContact CA-O 3.12Å; I597-V609 HydrophobicContact CG1-CG1 4.29Å; I597-V609 HydrophobicContact CG1-CG2 4.31Å; I597-L686 HydrophobicContact CD1-CD2 4.35Å |
| 598 | T | 85.1 | Confident | 77.3 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.9 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | T608 W610 K614 | T598-T608 PolarHBondContact N-O 2.91Å; T598-T608 PolarHBondContact O-N 2.99Å; T598-W610 PolarHBondContact OG1-NE1 3.23Å; T598-K614 HydrophobicContact CG2-CD 4.11Å |
| 599 | S | 78.9 | Confident | 77.8 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 142.8 | 171.3 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | K585 D604 T606 | K585-S599 WeakPolarHBondContact CE-OG 3.42Å; K585-S599 PolarHBondContact NZ-OG 2.99Å; K585-S599 VanDerWaalsContact NZ-OG 3.09Å; S599-D604 PolarHBondContact OG-OD1 3.4Å; S599-T606 CarbonylContact C-O 3.48Å; S599-T606 VanDerWaalsContact CA-O 3.27Å; S599-T606 WeakPolarHBondContact CA-O 3.14Å |
| 600 | Y | 70.6 | Confident | 78.5 | Confident | 145 Ų | 145 | 48.7 Ų | 48.7 | 57% | 0.569 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.1 | 164.9 | 102.6 | -77.1 | 0 | 0 | 0 | 111.3 | T606 | Y600-T606 HydrophobicContact CD1-CG2 4.26Å; Y600-T606 HydrophobicContact CE1-CG2 4.01Å; Y600-T606 PolarHBondContact N-O 2.91Å; Y600-T606 PolarHBondContact O-N 2.84Å |
| 601 | G | 60.9 | Low | 79 | Confident | 38 Ų | 38 | 44.5 Ų | 44.5 | 39% | 0.392 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 104.8 | 163.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | H603 D604 | G601-H603 PolarHBondContact O-N 2.75Å; G601-D604 PolarHBondContact O-N 2.96Å; G601-D604 VanDerWaalsContact O-N 3.07Å |
| 602 | E | 55.2 | Low | 79.4 | Confident | 167 Ų | 167 | 47.7 Ų | 47.7 | 78% | 0.78 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -62.4 | 133.2 | 176 | -159.9 | 161.9 | -154.4 | 0 | 0 | 109.5 | D604 T605 | E602-D604 PolarHBondContact O-N 2.89Å; E602-T605 WeakPolarHBondContact O-CG2 3.28Å; E602-T605 PolarHBondContact O-OG1 3.26Å; E602-T605 VanDerWaalsContact O-OG1 3.04Å |
| 603 | H | 59.3 | Low | 79.3 | Confident | 158 Ų | 158 | 47.5 Ų | 47.5 | 73% | 0.731 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | 54.2 | 26.7 | -169.8 | -55.5 | -59.2 | 0 | 0 | 0 | 116.3 | G601 T605 | G601-H603 PolarHBondContact O-N 2.75Å; H603-T605 HydrophobicContact CB-CG2 4.26Å; H603-T605 PolarHBondContact O-N 2.58Å; H603-T605 VanDerWaalsContact O-N 3.12Å |
| 604 | D | 65.6 | Low | 78.9 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | 57.6 | 26.3 | 174.1 | -76.1 | -57.4 | 0 | 0 | 0 | 115.2 | W577 K585 S599 G601 E602 T606 | W577-D604 PolarHBondContact NE1-O 2.95Å; K585-D604 HydrophobicContact CD-CB 4.48Å; K585-D604 IonicContact NZ-OD1 3.69Å; K585-D604 PolarHBondContact NZ-OD1 2.73Å; K585-D604 IonicContact NZ-OD2 3.72Å; K585-D604 PolarHBondContact NZ-OD2 3.17Å; S599-D604 PolarHBondContact OG-OD1 3.4Å; G601-D604 PolarHBondContact O-N 2.96Å; G601-D604 VanDerWaalsContact O-N 3.07Å; E602-D604 PolarHBondContact O-N 2.89Å; D604-T606 PolarHBondContact O-N 2.86Å; D604-T606 VanDerWaalsContact O-N 3.12Å |
| 605 | T | 80.4 | Confident | 78.3 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 20% | 0.202 | 29% | 0.294 | C | S | . | . | trans | -68 | -9.2 | -172 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | S554 C555 I575 E602 H603 | S554-T605 CarbonylContact C-O 3.57Å; S554-T605 WeakPolarHBondContact CA-O 3.3Å; C555-T605 PolarHBondContact N-O 3.02Å; C555-T605 WeakPolarHBondContact O-CB 3.18Å; C555-T605 WeakPolarHBondContact O-CG2 3.2Å; I575-T605 HydrophobicContact CD1-CG2 4.41Å; E602-T605 WeakPolarHBondContact O-CG2 3.28Å; E602-T605 PolarHBondContact O-OG1 3.26Å; E602-T605 VanDerWaalsContact O-OG1 3.04Å; H603-T605 HydrophobicContact CB-CG2 4.26Å; H603-T605 PolarHBondContact O-N 2.58Å; H603-T605 VanDerWaalsContact O-N 3.12Å | ||
| 606 | T | 85.9 | Confident | 77.2 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 132 | -177.1 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | N552 V553 S554 S599 Y600 D604 | N552-T606 HydrophobicContact CB-CG2 3.95Å; V553-T606 WeakPolarHBondContact O-CA 3.39Å; S554-T606 WeakPolarHBondContact OG-CG2 3.32Å; S554-T606 PolarHBondContact OG-OG1 2.79Å; S599-T606 CarbonylContact C-O 3.48Å; S599-T606 VanDerWaalsContact CA-O 3.27Å; S599-T606 WeakPolarHBondContact CA-O 3.14Å; Y600-T606 HydrophobicContact CD1-CG2 4.26Å; Y600-T606 HydrophobicContact CE1-CG2 4.01Å; Y600-T606 PolarHBondContact N-O 2.91Å; Y600-T606 PolarHBondContact O-N 2.84Å; D604-T606 PolarHBondContact O-N 2.86Å; D604-T606 VanDerWaalsContact O-N 3.12Å |
| 607 | L | 88.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.2 | 164.6 | -64.7 | -179.3 | 0 | 0 | 0 | 110.1 | N552 V553 W577 I597 L686 | N552-L607 CarbonylContact C-O 3.59Å; N552-L607 VanDerWaalsContact CA-O 3.29Å; N552-L607 WeakPolarHBondContact CA-O 3.44Å; V553-L607 PolarHBondContact N-O 3.29Å; V553-L607 PolarHBondContact O-N 2.62Å; W577-L607 HydrophobicContact CB-CD1 3.99Å; W577-L607 HydrophobicContact CB-CD2 4.38Å; W577-L607 HydrophobicContact CB-CG 4.43Å; W577-L607 HydrophobicContact CD2-CD1 3.54Å; W577-L607 HydrophobicContact CD2-CD2 4.41Å; W577-L607 HydrophobicContact CD2-CG 3.68Å; W577-L607 HydrophobicContact CE3-CD1 3.66Å; W577-L607 HydrophobicContact CE3-CG 4.22Å; W577-L607 HydrophobicContact CG-CD1 3.71Å; W577-L607 HydrophobicContact CG-CD2 3.97Å; W577-L607 HydrophobicContact CG-CG 3.77Å; W577-L607 HydrophobicContact CZ2-CG 4.33Å; W577-L607 HydrophobicContact CZ3-CD1 4.31Å; I597-L607 HydrophobicContact CG2-CB 4.37Å; I597-L607 HydrophobicContact CG2-CD1 4.24Å; I597-L607 HydrophobicContact CG2-CD2 4.05Å; I597-L607 HydrophobicContact CG2-CG 4.46Å; L607-L686 HydrophobicContact CD1-CD2 4.19Å |
| 608 | T | 88.2 | Confident | 73 | Confident | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.117 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.9 | 161.9 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | Y551 N552 I597 T598 W610 | Y551-T608 WeakPolarHBondContact O-CA 3.18Å; N552-T608 WeakPolarHBondContact OD1-CA 3.33Å; N552-T608 WeakPolarHBondContact OD1-CB 3.26Å; N552-T608 WeakPolarHBondContact OD1-CG2 3.47Å; N552-T608 PolarHBondContact OD1-OG1 2.87Å; I597-T608 WeakPolarHBondContact CA-O 3.12Å; T598-T608 PolarHBondContact N-O 2.91Å; T598-T608 PolarHBondContact O-N 2.99Å; T608-W610 HydrophobicContact CG2-CD2 4.49Å; T608-W610 HydrophobicContact CG2-CZ2 3.91Å |
| 609 | V | 89.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 133.8 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | P550 Y551 F596 I597 L665 L684 L686 | P550-V609 WeakPolarHBondContact CA-O 3.34Å; Y551-V609 HydrophobicContact CD1-CB 4.44Å; Y551-V609 HydrophobicContact CD2-CB 4.22Å; Y551-V609 HydrophobicContact CD2-CG2 4.37Å; Y551-V609 HydrophobicContact CE1-CB 4.02Å; Y551-V609 HydrophobicContact CE1-CG1 4.03Å; Y551-V609 HydrophobicContact CE2-CB 3.76Å; Y551-V609 HydrophobicContact CE2-CG1 4.34Å; Y551-V609 HydrophobicContact CE2-CG2 3.73Å; Y551-V609 PolarHBondContact N-O 3.36Å; Y551-V609 PolarHBondContact O-N 2.93Å; F596-V609 CarbonylContact O-C 3.55Å; F596-V609 WeakPolarHBondContact O-CA 3.4Å; I597-V609 HydrophobicContact CG1-CG1 4.29Å; I597-V609 HydrophobicContact CG1-CG2 4.31Å; V609-L665 HydrophobicContact CG1-CD2 3.58Å; V609-L684 HydrophobicContact CG1-CD2 4.29Å; V609-L686 HydrophobicContact CG2-CD1 3.92Å |
| 610 | W | 88.7 | Confident | 68.9 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | trans | -120 | 94.7 | -178.7 | -56 | 84.1 | 0 | 0 | 0 | 108.6 | P550 F596 T598 T608 V612 G613 K614 P615 | P550-W610 HydrophobicContact CB-CD2 4.23Å; P550-W610 HydrophobicContact CB-CE3 3.82Å; P550-W610 HydrophobicContact CB-CZ3 4.12Å; P550-W610 HydrophobicContact CG-CD2 4.4Å; P550-W610 HydrophobicContact CG-CE3 3.57Å; P550-W610 HydrophobicContact CG-CZ3 3.87Å; F596-W610 WeakPolarHBondContact CD1-O 3.44Å; F596-W610 PolarHBondContact O-N 3.44Å; T598-W610 PolarHBondContact OG1-NE1 3.23Å; T608-W610 HydrophobicContact CG2-CD2 4.49Å; T608-W610 HydrophobicContact CG2-CZ2 3.91Å; W610-V612 PolarHBondContact O-N 3.08Å; W610-V612 VanDerWaalsContact O-N 3.16Å; W610-G613 PolarHBondContact O-N 3.34Å; W610-K614 HydrophobicContact CD2-CB 4Å; W610-K614 HydrophobicContact CD2-CG 4.19Å; W610-K614 HydrophobicContact CG-CB 3.98Å; W610-K614 HydrophobicContact CZ2-CG 4.23Å; W610-P615 VanDerWaalsContact CZ3-CD 3.46Å; W610-P615 HydrophobicContact CZ3-CG 4.06Å | ||
| 611 | P | 84.3 | Confident | 67.2 | Low | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.039 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.9 | -172.3 | -27.7 | 35.7 | 0 | 0 | 0 | 115.3 | D547 T549 Y551 T664 L665 | D547-P611 HydrophobicContact CB-CB 4.24Å; D547-P611 HydrophobicContact CB-CG 4.49Å; D547-P611 WeakPolarHBondContact O-CB 3.44Å; T549-P611 WeakPolarHBondContact O-CD 3.43Å; T549-P611 WeakPolarHBondContact O-CG 3.11Å; Y551-P611 HydrophobicContact CE1-CG 4.2Å; P611-T664 WeakPolarHBondContact O-CA 3.15Å; P611-L665 PolarHBondContact O-N 3.09Å |
| 612 | V | 81.6 | Confident | 66 | Low | 89 Ų | 89 | 88.3 Ų | 88.3 | 54% | 0.539 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 10.2 | 178.1 | -155.2 | 0 | 0 | 0 | 0 | 111.9 | W610 | W610-V612 PolarHBondContact O-N 3.08Å; W610-V612 VanDerWaalsContact O-N 3.16Å |
| 613 | G | 77.9 | Confident | 65 | Low | 22 Ų | 22 | 89.4 Ų | 89.4 | 23% | 0.227 | 46% | 0.457 | C | S | . | . | trans | 86.6 | 157.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q595 W610 | Q595-G613 CarbonylContact O-C 3.52Å; Q595-G613 WeakPolarHBondContact O-CA 3.43Å; W610-G613 PolarHBondContact O-N 3.34Å | ||
| 614 | K | 75.9 | Confident | 64.1 | Low | 109 Ų | 109 | 91 Ų | 91 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 131.2 | -179.8 | -178.2 | 175.5 | 178.2 | 175.4 | 0 | 110.6 | Q595 T598 W610 I616 | Q595-K614 PolarHBondContact O-N 2.88Å; T598-K614 HydrophobicContact CG2-CD 4.11Å; W610-K614 HydrophobicContact CD2-CB 4Å; W610-K614 HydrophobicContact CD2-CG 4.19Å; W610-K614 HydrophobicContact CG-CB 3.98Å; W610-K614 HydrophobicContact CZ2-CG 4.23Å; K614-I616 PolarHBondContact O-N 3.12Å |
| 615 | P | 67.5 | Low | 62.6 | Low | 90 Ų | 90 | 92.4 Ų | 92.4 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 129.9 | 175.8 | 26.2 | -33.7 | 0 | 0 | 0 | 110.8 | W610 P617 | W610-P615 VanDerWaalsContact CZ3-CD 3.46Å; W610-P615 HydrophobicContact CZ3-CG 4.06Å; P615-P617 WeakPolarHBondContact O-CD 3.32Å |
| 616 | I | 61 | Low | 60.7 | Low | 154 Ų | 154 | 98.3 Ų | 98.3 | 79% | 0.79 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -88 | 116.5 | 178 | -55.6 | 175.6 | 0 | 0 | 0 | 108.3 | K614 F618 | K614-I616 PolarHBondContact O-N 3.12Å; I616-F618 PolarHBondContact O-N 3.12Å |
| 617 | P | 51 | Low | 58.2 | Low | 108 Ų | 108 | 104 Ų | 104 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | trans | -68.9 | 113.9 | 176.1 | 27.5 | -33 | 0 | 0 | 0 | 110.3 | P615 I619 | P615-P617 WeakPolarHBondContact O-CD 3.32Å; P617-I619 PolarHBondContact O-N 3.17Å | ||
| 618 | F | 36.5 | Very low | 55.8 | Low | 179 Ų | 179 | 114 Ų | 114 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | trans | -79.1 | 89 | -176.8 | -164.9 | -89 | 0 | 0 | 0 | 111.2 | I616 V620 | I616-F618 PolarHBondContact O-N 3.12Å; F618-V620 HydrophobicContact CD1-CG2 3.74Å; F618-V620 HydrophobicContact CE1-CG2 3.92Å; F618-V620 PolarHBondContact O-N 3.49Å; F618-V620 VanDerWaalsContact O-N 3.09Å | ||
| 619 | I | 39.7 | Very low | 53.5 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 70% | 0.703 | 61% | 0.614 | S | S | * | * | trans | -71.8 | 103 | 172.4 | -58.5 | 178 | 0 | 0 | 0 | 108.8 | P617 K621 | P617-I619 PolarHBondContact O-N 3.17Å; I619-K621 VanDerWaalsContact C-N 3.34Å; I619-K621 HydrophobicContact CG2-CG 4.33Å; I619-K621 PolarHBondContact O-N 3.48Å | ||
| 620 | V | 38.4 | Very low | 50.9 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -67.2 | 89.7 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | F618 H622 | F618-V620 HydrophobicContact CD1-CG2 3.74Å; F618-V620 HydrophobicContact CE1-CG2 3.92Å; F618-V620 PolarHBondContact O-N 3.49Å; F618-V620 VanDerWaalsContact O-N 3.09Å; V620-H622 PolarHBondContact O-N 3.48Å | ||
| 621 | K | 34.5 | Very low | 48.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -72.2 | 96 | 167.4 | -73.5 | -169.9 | 176.3 | -175.8 | 0 | 109.4 | I619 E623 | I619-K621 VanDerWaalsContact C-N 3.34Å; I619-K621 HydrophobicContact CG2-CG 4.33Å; I619-K621 PolarHBondContact O-N 3.48Å; K621-E623 PolarHBondContact O-N 3.08Å | ||
| 622 | H | 37.2 | Very low | 46.3 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | trans | -67.1 | 112.3 | 165.7 | -105.2 | -81.7 | 0 | 0 | 0 | 109.7 | V620 E624 | V620-H622 PolarHBondContact O-N 3.48Å; H622-E624 PolarHBondContact O-N 3.19Å | ||
| 623 | E | 33.9 | Very low | 44 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -77.8 | 94.9 | 173.8 | -66.8 | -172.3 | 121.9 | 0 | 0 | 110.8 | K621 S625 | K621-E623 PolarHBondContact O-N 3.08Å; E623-S625 PolarHBondContact O-N 2.82Å | ||
| 624 | E | 39.2 | Very low | 41.9 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 90% | 0.897 | 76% | 0.755 | S | S | * | * | trans | -81.2 | 101.8 | 164.9 | -73.4 | -151.3 | 136.5 | 0 | 0 | 111.1 | H622 H626 | H622-E624 PolarHBondContact O-N 3.19Å; E624-H626 PolarHBondContact O-N 2.99Å | ||
| 625 | S | 34.4 | Very low | 40 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -70.7 | 116.7 | 169.6 | 158.1 | 0 | 0 | 0 | 0 | 111.1 | E623 | E623-S625 PolarHBondContact O-N 2.82Š| ||
| 626 | H | 40.2 | Very low | 38.5 | Very low | 158 Ų | 158 | 151.1 Ų | 151.1 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | 179.1 | 127.7 | 115.7 | -91.3 | -46.6 | 0 | 0 | 0 | 116.2 | E624 | E624-H626 PolarHBondContact O-N 2.99Š| |||
| 627 | N | 34 | Very low | 37.2 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | 43.4 | 98.4 | 136.6 | -74.9 | -41.2 | 0 | 0 | 0 | 120.5 | ||||
| 628 | K | 38.6 | Very low | 36.4 | Very low | 209 Ų | 209 | 157.5 Ų | 157.5 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | -178.7 | 165.3 | 93.6 | -100.5 | 164.4 | -178.4 | 174.9 | 0 | 115.5 | |||||
| 629 | Q | 40.4 | Very low | 36.1 | Very low | 190 Ų | 190 | 157.7 Ų | 157.7 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -65.9 | 164.2 | -168.7 | -82 | 176.9 | -58.3 | 0 | 0 | 116.7 | ||||
| 630 | P | 34.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 159.6 Ų | 159.6 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -101.6 | 174.2 | -158.9 | 40.6 | -37.9 | 0 | 0 | 0 | 115 | ||||
| 631 | K | 37.8 | Very low | 35.6 | Very low | 180 Ų | 180 | 164 Ų | 164 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -163.5 | 124.8 | 137.3 | -112.8 | 179.9 | 177.3 | -165.4 | 0 | 116.2 | ||||
| 632 | E | 37.3 | Very low | 35.4 | Very low | 160 Ų | 160 | 160.9 Ų | 160.9 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 42.8 | 119.4 | 140 | -64.2 | 171.4 | 116.3 | 0 | 0 | 123 | ||||
| 633 | A | 34.4 | Very low | 35.3 | Very low | 112 Ų | 112 | 159.5 Ų | 159.5 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | 73.5 | 129.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 634 | G | 33.1 | Very low | 35.2 | Very low | 74 Ų | 74 | 159.4 Ų | 159.4 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 179.1 | 21 | 177.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 635 | I | 36.3 | Very low | 34.8 | Very low | 151 Ų | 151 | 160 Ų | 160 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | 55.3 | 105.6 | 158.3 | -58.3 | 173.4 | 0 | 0 | 0 | 118.9 | ||||
| 636 | E | 35 | Very low | 34.8 | Very low | 186 Ų | 186 | 164 Ų | 164 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | 58.1 | 154.1 | 133.7 | -60.2 | 169.8 | 166.6 | 0 | 0 | 121.5 | ||||
| 637 | E | 33.8 | Very low | 34.5 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | trans | -112.5 | 165.4 | -155.2 | -62.9 | 172.3 | 132.7 | 0 | 0 | 114 | ||||
| 638 | E | 34.1 | Very low | 34.4 | Very low | 199 Ų | 199 | 164 Ų | 164 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -92.9 | 171.2 | -172.5 | -64.6 | 177.7 | 123.3 | 0 | 0 | 114.3 | ||||
| 639 | E | 32 | Very low | 34 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -91.5 | -175.5 | 178.1 | -60.1 | 176.9 | 106.8 | 0 | 0 | 112.8 | ||||
| 640 | E | 34.8 | Very low | 33.6 | Very low | 177 Ų | 177 | 159 Ų | 159 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 67.3 | 96.4 | 160.7 | -59.8 | -168.8 | 141.8 | 0 | 0 | 120.2 | ||||
| 641 | E | 31.1 | Very low | 33.3 | Very low | 189 Ų | 189 | 160.9 Ų | 160.9 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | 39.2 | 174.3 | 105.3 | -149.8 | 169.2 | -138.9 | 0 | 0 | 122.5 | |||||
| 642 | V | 31.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 157.8 Ų | 157.8 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | trans | 92.8 | 147.3 | 157.7 | -148 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 643 | I | 34.4 | Very low | 33.1 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 73% | 0.728 | 82% | 0.821 | S | S | * | * | trans | 93.9 | 80.6 | 163.4 | -46.2 | -173.7 | 0 | 0 | 0 | 118.8 | ||||
| 644 | E | 31.6 | Very low | 33.1 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 59.8 | 159.5 | 116.9 | -63.6 | -165.2 | 111.5 | 0 | 0 | 124.8 | |||||
| 645 | K | 31.6 | Very low | 33.2 | Very low | 204 Ų | 204 | 166.6 Ų | 166.6 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -85.4 | 123.5 | -174.1 | -54.1 | 151.5 | 179.5 | 165.9 | 0 | 112.1 | ||||
| 646 | E | 33 | Very low | 33.2 | Very low | 176 Ų | 176 | 165.2 Ų | 165.2 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -157.7 | 158.1 | 143.5 | -86.1 | -137.4 | 122.1 | 0 | 0 | 108 | ||||
| 647 | I | 35.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 163 Ų | 163 | 72% | 0.723 | 82% | 0.821 | S | S | * | * | cis | -133.5 | 176.4 | 3.2 | -148 | 159.1 | 0 | 0 | 0 | 111.6 | ||||
| 648 | M | 30.5 | Very low | 33 | Very low | 150 Ų | 150 | 161.3 Ų | 161.3 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 144.6 | -176.7 | 171.9 | -176 | -68.3 | 0 | 0 | 113.6 | ||||
| 649 | N | 29.8 | Very low | 33 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 55.5 | 119.9 | 161.5 | -62 | 1.6 | 0 | 0 | 0 | 120.5 | ||||
| 650 | L | 32.4 | Very low | 33.5 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | -149.5 | 114.2 | 129.5 | -162.1 | 72.3 | 0 | 0 | 0 | 110.9 | T652 | L650-T652 PolarHBondContact O-N 3.22Š| |||
| 651 | D | 29.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -72.3 | 118.4 | 170.5 | -66 | -59.3 | 0 | 0 | 0 | 110 | ||||
| 652 | T | 37.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -148.5 | 126.4 | 161.4 | -7.1 | 0 | 0 | 0 | 0 | 109.4 | L650 | L650-T652 PolarHBondContact O-N 3.22Š| ||
| 653 | E | 33 | Very low | 37.5 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -78.4 | 123.4 | 175.5 | -59.6 | 177.2 | 135.2 | 0 | 0 | 109.8 | ||||
| 654 | D | 34.7 | Very low | 39.9 | Very low | 159 Ų | 159 | 141 Ų | 141 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -150.3 | 135 | 165 | -101.6 | -44.8 | 0 | 0 | 0 | 109.5 | ||||
| 655 | E | 34.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -78.1 | 128.2 | -171.6 | -68.2 | -176.7 | 104.3 | 0 | 0 | 113.4 | V657 | E655-V657 PolarHBondContact O-N 3.15Å; E655-V657 VanDerWaalsContact O-N 3.1Å | ||
| 656 | P | 36.3 | Very low | 45 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | trans | -78.3 | 93.7 | 168.5 | 31.4 | -32.7 | 0 | 0 | 0 | 111 | Q658 | P656-Q658 PolarHBondContact O-N 3Š| ||
| 657 | V | 32.8 | Very low | 47.3 | Very low | 138 Ų | 138 | 119.6 Ų | 119.6 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | trans | -58.1 | 119.9 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | E655 | E655-V657 PolarHBondContact O-N 3.15Å; E655-V657 VanDerWaalsContact O-N 3.1Å | ||
| 658 | Q | 32 | Very low | 49.7 | Very low | 163 Ų | 163 | 113.8 Ų | 113.8 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | trans | -88.1 | 160.1 | 172.2 | -64.8 | -172.3 | -3.1 | 0 | 0 | 112.6 | P656 | P656-Q658 PolarHBondContact O-N 3Š| ||
| 659 | I | 34.6 | Very low | 52.3 | Low | 160 Ų | 160 | 106.6 Ų | 106.6 | 82% | 0.821 | 58% | 0.583 | S | S | * | * | trans | 148.3 | 135.9 | 152.7 | -84.4 | 158.7 | 0 | 0 | 0 | 109.6 | ||||
| 660 | P | 41.9 | Very low | 54.8 | Low | 104 Ų | 104 | 100.8 Ų | 100.8 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | S | Bend | cis | -137.1 | 142.6 | -17.5 | 33.9 | -14.4 | 0 | 0 | 0 | 116.2 | ||
| 661 | S | 49.8 | Very low | 57.1 | Low | 98 Ų | 98 | 99.2 Ų | 99.2 | 69% | 0.685 | 54% | 0.542 | S | S | * | . | trans | -150.6 | 90.4 | 137.8 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | T663 | S661-T663 PolarHBondContact O-N 2.9Š| ||
| 662 | T | 60 | Low | 59.5 | Low | 122 Ų | 122 | 96.6 Ų | 96.6 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | trans | -78.4 | 15.7 | -160.4 | 57.8 | 0 | 0 | 0 | 0 | 115.9 | Q667 | T662-Q667 PolarHBondContact O-OE1 2.85Š| ||
| 663 | T | 72.7 | Confident | 61.4 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 34% | 0.337 | 51% | 0.506 | S | S | . | . | trans | -93.5 | 112.4 | -176.3 | -50.2 | 0 | 0 | 0 | 0 | 110.1 | F596 S661 Q667 F668 | F596-T663 VanDerWaalsContact CE1-O 3.27Å; F596-T663 WeakPolarHBondContact CE1-O 3.32Å; F596-T663 VanDerWaalsContact CZ-O 3.31Å; F596-T663 WeakPolarHBondContact CZ-O 3.41Å; S661-T663 PolarHBondContact O-N 2.9Å; T663-Q667 HydrophobicContact CG2-CB 3.95Å; T663-F668 HydrophobicContact CG2-CB 4.11Å | ||
| 664 | T | 83.3 | Confident | 62.9 | Low | 43 Ų | 43 | 87.3 Ų | 87.3 | 26% | 0.264 | 49% | 0.485 | S | S | . | . | trans | -74.2 | 160.5 | 174.3 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | P611 K666 Q667 F668 | P611-T664 WeakPolarHBondContact O-CA 3.15Å; T664-K666 PolarHBondContact O-N 3.27Å; T664-Q667 PolarHBondContact O-N 3.35Å; T664-Q667 WeakPolarHBondContact OG1-CG 3.38Å; T664-Q667 PolarHBondContact OG1-N 2.79Å; T664-F668 PolarHBondContact O-N 2.91Å | ||
| 665 | L | 86.2 | Confident | 63.9 | Low | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.01 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -52.6 | -42.5 | 174.9 | 173.1 | 58 | 0 | 0 | 0 | 111.4 | F596 V609 P611 Q667 F668 L669 L684 F750 | F596-L665 HydrophobicContact CB-CB 4.31Å; F596-L665 HydrophobicContact CB-CD1 3.8Å; F596-L665 HydrophobicContact CB-CD2 4.48Å; F596-L665 HydrophobicContact CB-CG 4.41Å; F596-L665 HydrophobicContact CD1-CB 3.87Å; F596-L665 HydrophobicContact CD2-CD1 4.07Å; F596-L665 HydrophobicContact CE1-CB 4.33Å; F596-L665 HydrophobicContact CG-CB 4.07Å; F596-L665 HydrophobicContact CG-CD1 3.93Å; V609-L665 HydrophobicContact CG1-CD2 3.58Å; P611-L665 PolarHBondContact O-N 3.09Å; L665-Q667 PolarHBondContact O-N 3.46Å; L665-F668 PolarHBondContact O-N 2.8Å; L665-L669 HydrophobicContact CD1-CD1 3.81Å; L665-L669 HydrophobicContact CD1-CD2 4.42Å; L665-L669 HydrophobicContact CD1-CG 3.89Å; L665-L669 HydrophobicContact CG-CD1 3.91Å; L665-L669 HydrophobicContact CG-CG 4.42Å; L665-L669 WeakPolarHBondContact O-CB 3.17Å; L665-L669 VanDerWaalsContact O-CG 3.25Å; L665-L669 WeakPolarHBondContact O-CG 3.36Å; L665-L669 PolarHBondContact O-N 2.97Å; L665-L684 HydrophobicContact CD2-CD1 4.41Å; L665-L684 HydrophobicContact CD2-CD2 4.21Å; L665-F750 HydrophobicContact CG-CE1 4.4Å; L665-F750 HydrophobicContact CG-CZ 4.39Å |
| 666 | K | 85.5 | Confident | 64.7 | Low | 16 Ų | 16 | 78.9 Ų | 78.9 | 7% | 0.07 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 175.5 | -172.4 | -173.9 | -178.2 | -172.6 | 0 | 112.6 | T664 A670 P680 F750 T751 D753 | T664-K666 PolarHBondContact O-N 3.27Å; K666-A670 PolarHBondContact O-N 2.89Å; K666-A670 VanDerWaalsContact O-N 3.15Å; K666-P680 HydrophobicContact CG-CB 3.92Å; K666-F750 HydrophobicContact CB-CD1 3.68Å; K666-F750 HydrophobicContact CB-CE1 3.83Å; K666-F750 HydrophobicContact CB-CG 4.19Å; K666-F750 HydrophobicContact CB-CZ 4.46Å; K666-F750 HydrophobicContact CD-CB 3.89Å; K666-F750 HydrophobicContact CD-CD1 4.22Å; K666-F750 HydrophobicContact CD-CG 4.15Å; K666-F750 HydrophobicContact CG-CB 4.12Å; K666-F750 HydrophobicContact CG-CD1 3.88Å; K666-F750 HydrophobicContact CG-CD2 4.36Å; K666-F750 HydrophobicContact CG-CE1 4.39Å; K666-F750 HydrophobicContact CG-CG 3.87Å; K666-T751 PolarHBondContact NZ-O 3.19Å; K666-D753 WeakPolarHBondContact CE-OD2 3.45Å; K666-D753 IonicContact NZ-OD1 2.97Å; K666-D753 PolarHBondContact NZ-OD1 3.48Å; K666-D753 IonicContact NZ-OD2 3.94Å; K666-D753 PolarHBondContact NZ-OD2 3.38Å |
| 667 | Q | 81.7 | Confident | 65.5 | Low | 100 Ų | 100 | 82.4 Ų | 82.4 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 178.7 | -68 | 166.8 | -10.2 | 0 | 0 | 112 | T662 T663 T664 L665 A670 Q671 | T662-Q667 PolarHBondContact O-OE1 2.85Å; T663-Q667 HydrophobicContact CG2-CB 3.95Å; T664-Q667 PolarHBondContact O-N 3.35Å; T664-Q667 WeakPolarHBondContact OG1-CG 3.38Å; T664-Q667 PolarHBondContact OG1-N 2.79Å; L665-Q667 PolarHBondContact O-N 3.46Å; Q667-A670 WeakPolarHBondContact O-CB 3.44Å; Q667-A670 PolarHBondContact O-N 2.84Å; Q667-Q671 PolarHBondContact O-N 3.07Å |
| 668 | F | 85.5 | Confident | 66.7 | Low | 19 Ų | 19 | 77.8 Ų | 77.8 | 8% | 0.083 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 177 | -175.4 | -96 | 0 | 0 | 0 | 112 | L593 F596 T663 T664 L665 Q671 K672 | L593-F668 HydrophobicContact CD1-CE1 3.82Å; L593-F668 HydrophobicContact CG-CD1 4.44Å; L593-F668 HydrophobicContact CG-CE1 3.89Å; F596-F668 HydrophobicContact CD2-CB 4.44Å; F596-F668 HydrophobicContact CD2-CD1 4.12Å; F596-F668 HydrophobicContact CD2-CG 4.22Å; F596-F668 HydrophobicContact CE2-CB 3.54Å; F596-F668 AromaticContact CE2-CD1 3.76Å; F596-F668 HydrophobicContact CE2-CD1 3.76Å; F596-F668 AromaticContact CE2-CD2 3.71Å; F596-F668 HydrophobicContact CE2-CD2 3.71Å; F596-F668 HydrophobicContact CE2-CE1 4.32Å; F596-F668 HydrophobicContact CE2-CE2 4.27Å; F596-F668 AromaticContact CE2-CG 3.4Å; F596-F668 HydrophobicContact CE2-CG 3.4Å; F596-F668 VanDerWaalsContact CE2-CG 3.4Å; F596-F668 HydrophobicContact CZ-CB 3.85Å; F596-F668 HydrophobicContact CZ-CD2 4.37Å; F596-F668 HydrophobicContact CZ-CG 4.16Å; T663-F668 HydrophobicContact CG2-CB 4.11Å; T664-F668 PolarHBondContact O-N 2.91Å; L665-F668 PolarHBondContact O-N 2.8Å; F668-Q671 PolarHBondContact O-N 3.48Å; F668-K672 HydrophobicContact CD1-CG 4.01Å; F668-K672 HydrophobicContact CE1-CD 4.44Å; F668-K672 HydrophobicContact CE1-CG 3.76Å; F668-K672 HydrophobicContact CG-CG 4.5Å; F668-K672 HydrophobicContact CZ-CD 4.35Å; F668-K672 HydrophobicContact CZ-CG 4.06Å; F668-K672 WeakPolarHBondContact O-CB 3.44Å; F668-K672 VanDerWaalsContact O-CG 3.27Å; F668-K672 WeakPolarHBondContact O-CG 3.29Å; F668-K672 PolarHBondContact O-N 3.03Å |
| 669 | L | 85.5 | Confident | 68.2 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.4 | -70.3 | 168.1 | 0 | 0 | 0 | 111.9 | W583 L593 L665 Q671 K672 I673 P681 L684 F750 | W583-L669 HydrophobicContact CH2-CD2 3.83Å; W583-L669 HydrophobicContact CZ3-CD2 3.48Å; W583-L669 VanDerWaalsContact CZ3-CD2 3.48Å; L593-L669 HydrophobicContact CD2-CD2 4.34Å; L665-L669 HydrophobicContact CD1-CD1 3.81Å; L665-L669 HydrophobicContact CD1-CD2 4.42Å; L665-L669 HydrophobicContact CD1-CG 3.89Å; L665-L669 HydrophobicContact CG-CD1 3.91Å; L665-L669 HydrophobicContact CG-CG 4.42Å; L665-L669 WeakPolarHBondContact O-CB 3.17Å; L665-L669 VanDerWaalsContact O-CG 3.25Å; L665-L669 WeakPolarHBondContact O-CG 3.36Å; L665-L669 PolarHBondContact O-N 2.97Å; L669-Q671 PolarHBondContact O-N 2.89Å; L669-K672 PolarHBondContact O-N 2.88Å; L669-I673 HydrophobicContact CB-CD1 4.22Å; L669-I673 HydrophobicContact CD2-CD1 4.2Å; L669-I673 WeakPolarHBondContact O-CB 3.38Å; L669-I673 VanDerWaalsContact O-CG1 3.27Å; L669-I673 WeakPolarHBondContact O-CG1 3.24Å; L669-I673 PolarHBondContact O-N 3.11Å; L669-P681 HydrophobicContact CB-CG 3.85Å; L669-P681 HydrophobicContact CD1-CG 4.31Å; L669-L684 HydrophobicContact CD1-CD1 3.7Å; L669-F750 HydrophobicContact CD1-CE2 4.03Å; L669-F750 HydrophobicContact CD1-CZ 3.59Å |
| 670 | A | 81.4 | Confident | 69.8 | Low | 14 Ų | 14 | 73.1 Ų | 73.1 | 12% | 0.116 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.4 | -52.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K666 Q667 K672 I673 G674 G675 P680 | K666-A670 PolarHBondContact O-N 2.89Å; K666-A670 VanDerWaalsContact O-N 3.15Å; Q667-A670 WeakPolarHBondContact O-CB 3.44Å; Q667-A670 PolarHBondContact O-N 2.84Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 PolarHBondContact O-N 2.88Å; A670-I673 PolarHBondContact O-N 2.91Å; A670-G674 PolarHBondContact O-N 3.44Å; A670-G674 VanDerWaalsContact O-N 3.15Å; A670-G675 PolarHBondContact O-N 2.6Å; A670-P680 HydrophobicContact CB-CB 4.02Å |
| 671 | Q | 80.6 | Confident | 71.4 | Confident | 125 Ų | 125 | 69.4 Ų | 69.4 | 58% | 0.584 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.1 | -38.4 | 178.9 | -170.4 | -175.9 | 20.7 | 0 | 0 | 112.8 | Q667 F668 L669 | Q667-Q671 PolarHBondContact O-N 3.07Å; F668-Q671 PolarHBondContact O-N 3.48Å; L669-Q671 PolarHBondContact O-N 2.89Å |
| 672 | K | 80.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 72 Ų | 72 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.8 | -31.9 | -176.9 | -75.5 | -71.9 | -168.7 | 169.5 | 0 | 114.7 | W583 T591 F668 L669 A670 | W583-K672 HydrophobicContact CH2-CB 4.18Å; W583-K672 HydrophobicContact CZ2-CB 4.09Å; T591-K672 WeakPolarHBondContact O-CE 3.43Å; T591-K672 PolarHBondContact O-NZ 2.61Å; F668-K672 HydrophobicContact CD1-CG 4.01Å; F668-K672 HydrophobicContact CE1-CD 4.44Å; F668-K672 HydrophobicContact CE1-CG 3.76Å; F668-K672 HydrophobicContact CG-CG 4.5Å; F668-K672 HydrophobicContact CZ-CD 4.35Å; F668-K672 HydrophobicContact CZ-CG 4.06Å; F668-K672 WeakPolarHBondContact O-CB 3.44Å; F668-K672 VanDerWaalsContact O-CG 3.27Å; F668-K672 WeakPolarHBondContact O-CG 3.29Å; F668-K672 PolarHBondContact O-N 3.03Å; L669-K672 PolarHBondContact O-N 2.88Å; A670-K672 VanDerWaalsContact C-N 3.3Å; A670-K672 PolarHBondContact O-N 2.88Å |
| 673 | I | 76.7 | Confident | 74.2 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 35% | 0.349 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -94.8 | -39.1 | -170.8 | -63.4 | 170.3 | 0 | 0 | 0 | 111.8 | Q580 W583 L669 A670 | Q580-I673 HydrophobicContact CB-CD1 4.46Å; Q580-I673 HydrophobicContact CG-CD1 3.65Å; W583-I673 HydrophobicContact CH2-CD1 3.97Å; W583-I673 HydrophobicContact CH2-CG1 3.71Å; W583-I673 HydrophobicContact CZ2-CG1 4.36Å; W583-I673 HydrophobicContact CZ3-CD1 4.41Å; L669-I673 HydrophobicContact CB-CD1 4.22Å; L669-I673 HydrophobicContact CD2-CD1 4.2Å; L669-I673 WeakPolarHBondContact O-CB 3.38Å; L669-I673 VanDerWaalsContact O-CG1 3.27Å; L669-I673 WeakPolarHBondContact O-CG1 3.24Å; L669-I673 PolarHBondContact O-N 3.11Å; A670-I673 PolarHBondContact O-N 2.91Å |
| 674 | G | 63.6 | Low | 75 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 46% | 0.464 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 2.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | A670 A678 | A670-G674 PolarHBondContact O-N 3.44Å; A670-G674 VanDerWaalsContact O-N 3.15Å; G674-A678 VanDerWaalsContact CA-CB 3.47Å; G674-A678 WeakPolarHBondContact O-CB 3.45Å |
| 675 | G | 56.8 | Low | 75.4 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | trans | 72.4 | -170.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A670 E677 A678 | A670-G675 PolarHBondContact O-N 2.6Å; G675-E677 PolarHBondContact O-N 2.88Å; G675-A678 PolarHBondContact O-N 3.22Å | ||
| 676 | S | 51.4 | Low | 75.6 | Confident | 128 Ų | 128 | 65 Ų | 65 | 90% | 0.895 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.4 | -164.9 | -52.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 677 | E | 52.9 | Low | 75.9 | Confident | 197 Ų | 197 | 65 Ų | 65 | 92% | 0.921 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -2.2 | -176.4 | -62.3 | -172.7 | 159 | 0 | 0 | 113.5 | G675 | G675-E677 PolarHBondContact O-N 2.88Š|
| 678 | A | 57.7 | Low | 76.4 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -79.7 | 144.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G674 G675 | G674-A678 VanDerWaalsContact CA-CB 3.47Å; G674-A678 WeakPolarHBondContact O-CB 3.45Å; G675-A678 PolarHBondContact O-N 3.22Å |
| 679 | Q | 64.3 | Low | 76.7 | Confident | 179 Ų | 179 | 60 Ų | 60 | 84% | 0.836 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 143.9 | 167.3 | -67.8 | -176.2 | -9.8 | 0 | 0 | 110 | ||
| 680 | P | 67.1 | Low | 76.9 | Confident | 45 Ų | 45 | 60 Ų | 60 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 149.2 | 173.7 | 25.9 | -34.1 | 0 | 0 | 0 | 110.7 | K666 A670 K682 | K666-P680 HydrophobicContact CG-CB 3.92Å; A670-P680 HydrophobicContact CB-CB 4.02Å; P680-K682 PolarHBondContact O-N 2.87Å |
| 681 | P | 76.9 | Confident | 77.3 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.3 | 169.3 | 26.5 | -33.7 | 0 | 0 | 0 | 109 | L669 D683 F750 | L669-P681 HydrophobicContact CB-CG 3.85Å; L669-P681 HydrophobicContact CD1-CG 4.31Å; P681-D683 VanDerWaalsContact C-N 3.31Å; P681-D683 PolarHBondContact O-N 2.6Å; P681-F750 HydrophobicContact CG-CE2 4.25Å; P681-F750 VanDerWaalsContact O-CD2 3.23Å; P681-F750 WeakPolarHBondContact O-CD2 3.38Å |
| 682 | K | 81.8 | Confident | 77.7 | Confident | 153 Ų | 153 | 55.8 Ų | 55.8 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -66.5 | -36.2 | -178.9 | -171.7 | -168 | 172 | -149 | 0 | 112 | P680 F750 | P680-K682 PolarHBondContact O-N 2.87Å; K682-F750 PolarHBondContact O-N 3.44Å |
| 683 | D | 86.3 | Confident | 78 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.6 | -173.2 | -48.5 | -74.6 | 0 | 0 | 0 | 109.6 | Q580 P681 R748 T749 | Q580-D683 PolarHBondContact NE2-O 3.32Å; P681-D683 VanDerWaalsContact C-N 3.31Å; P681-D683 PolarHBondContact O-N 2.6Å; D683-R748 WeakPolarHBondContact CA-O 3.45Å; D683-T749 VanDerWaalsContact OD1-CA 3.27Å; D683-T749 WeakPolarHBondContact OD1-CA 3.46Å; D683-T749 VanDerWaalsContact OD1-CB 3.25Å; D683-T749 WeakPolarHBondContact OD1-CB 3.33Å; D683-T749 WeakPolarHBondContact OD1-CG2 3.44Å; D683-T749 PolarHBondContact OD1-OG1 3.41Å |
| 684 | L | 89.4 | Confident | 78.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.1 | 163.6 | -174.5 | 74.6 | 0 | 0 | 0 | 108.6 | Y551 V609 L665 L669 L686 F747 R748 F750 | Y551-L684 VanDerWaalsContact OH-CD2 3.28Å; Y551-L684 WeakPolarHBondContact OH-CD2 3.47Å; V609-L684 HydrophobicContact CG1-CD2 4.29Å; L665-L684 HydrophobicContact CD2-CD1 4.41Å; L665-L684 HydrophobicContact CD2-CD2 4.21Å; L669-L684 HydrophobicContact CD1-CD1 3.7Å; L684-L686 HydrophobicContact CD2-CD1 3.83Å; L684-L686 HydrophobicContact CD2-CD2 4.14Å; L684-L686 HydrophobicContact CD2-CG 3.95Å; L684-L686 HydrophobicContact CG-CD2 4.24Å; L684-L686 HydrophobicContact CG-CG 4.1Å; L684-F747 WeakPolarHBondContact O-CA 3.39Å; L684-R748 HydrophobicContact CB-CB 4.24Å; L684-R748 PolarHBondContact N-O 2.6Å; L684-R748 PolarHBondContact O-N 2.8Å; L684-F750 HydrophobicContact CB-CE2 3.81Å; L684-F750 HydrophobicContact CB-CZ 3.74Å; L684-F750 HydrophobicContact CD1-CZ 4.17Å; L684-F750 HydrophobicContact CG-CZ 4.46Å |
| 685 | I | 90.9 | Very high | 78.7 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.9 | 178.6 | -52.1 | 178 | 0 | 0 | 0 | 108.1 | Q580 T745 F747 | Q580-I685 PolarHBondContact N-O 2.76Å; I685-T745 HydrophobicContact CG2-CG2 3.58Å; I685-F747 HydrophobicContact CD1-CE1 4.22Å; I685-F747 HydrophobicContact CG1-CD1 4.03Å; I685-F747 HydrophobicContact CG1-CE1 4Å; I685-F747 HydrophobicContact CG2-CE1 4.15Å |
| 686 | L | 91.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 108.3 | 177 | -59.9 | 172.6 | 0 | 0 | 0 | 109 | V553 W577 I579 I597 L607 V609 L684 T745 A746 | V553-L686 HydrophobicContact CB-CD1 4.34Å; V553-L686 HydrophobicContact CG2-CD1 3.88Å; W577-L686 HydrophobicContact CZ3-CB 4.49Å; I579-L686 HydrophobicContact CB-CD2 4.31Å; I579-L686 HydrophobicContact CG1-CD2 4Å; I579-L686 HydrophobicContact CG2-CD2 3.96Å; I597-L686 HydrophobicContact CD1-CD2 4.35Å; L607-L686 HydrophobicContact CD1-CD2 4.19Å; V609-L686 HydrophobicContact CG2-CD1 3.92Å; L684-L686 HydrophobicContact CD2-CD1 3.83Å; L684-L686 HydrophobicContact CD2-CD2 4.14Å; L684-L686 HydrophobicContact CD2-CG 3.95Å; L684-L686 HydrophobicContact CG-CD2 4.24Å; L684-L686 HydrophobicContact CG-CG 4.1Å; L686-T745 WeakPolarHBondContact O-CA 3.31Å; L686-A746 HydrophobicContact CB-CB 4.33Å; L686-A746 PolarHBondContact N-O 2.89Å; L686-A746 PolarHBondContact O-N 3.41Å |
| 687 | S | 91.8 | Very high | 80 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.1 | -177.1 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | I578 W689 L744 T745 | I578-S687 PolarHBondContact N-O 3.46Å; I578-S687 PolarHBondContact O-N 2.74Å; S687-W689 PolarHBondContact O-N 3.19Å; S687-L744 CarbonylContact C-O 3.53Å; S687-L744 WeakPolarHBondContact CA-O 3.16Å; S687-T745 VanDerWaalsContact OG-CG2 3.32Å; S687-T745 WeakPolarHBondContact OG-CG2 3.4Å; S687-T745 PolarHBondContact OG-OG1 2.85Å |
| 688 | C | 92.3 | Very high | 80.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 122.2 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | P537 C555 W577 S732 L744 | P537-C688 HydrophobicContact CG-CB 3.74Å; C555-C688 HydrophobicContact CB-CB 3.61Å; C555-C688 WeakPolarHBondContact CB-SG 3.42Å; C555-C688 WeakPolarHBondContact SG-CB 3.4Å; C555-C688 CovalentContact SG-SG 2.03Å; C555-C688 PolarHBondContact SG-SG 3.45Å; W577-C688 HydrophobicContact CE3-CB 4.43Å; W577-C688 HydrophobicContact CH2-CB 4.36Å; W577-C688 HydrophobicContact CZ3-CB 4.14Å; C688-S732 PolarHBondContact O-OG 3.09Å; C688-L744 HydrophobicContact CB-CD2 4.2Å; C688-L744 PolarHBondContact N-O 2.87Å |
| 689 | W | 90.8 | Very high | 81.7 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 4% | 0.038 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 105.9 | -174.2 | -176.3 | 26.9 | 0 | 0 | 0 | 110.7 | I575 D576 I578 T584 S687 R691 D731 | I575-W689 CarbonylContact C-O 3.56Å; I575-W689 WeakPolarHBondContact CA-O 3.4Å; D576-W689 HydrophobicContact CB-CB 4.45Å; D576-W689 HydrophobicContact CB-CD2 4.41Å; D576-W689 HydrophobicContact CB-CE3 3.69Å; D576-W689 HydrophobicContact CB-CZ3 4.35Å; D576-W689 PolarHBondContact N-O 2.86Å; D576-W689 WeakPolarHBondContact O-CA 3.35Å; D576-W689 WeakPolarHBondContact O-CB 3.46Å; D576-W689 PolarHBondContact O-N 3.25Å; I578-W689 HydrophobicContact CD1-CB 3.77Å; I578-W689 HydrophobicContact CD1-CD2 3.96Å; I578-W689 HydrophobicContact CD1-CE3 4.39Å; I578-W689 HydrophobicContact CD1-CG 3.66Å; I578-W689 HydrophobicContact CG1-CB 3.96Å; I578-W689 HydrophobicContact CG1-CD2 4.27Å; I578-W689 HydrophobicContact CG1-CE3 4.24Å; I578-W689 HydrophobicContact CG1-CG 4.17Å; T584-W689 HydrophobicContact CG2-CE3 4.13Å; T584-W689 HydrophobicContact CG2-CZ3 3.76Å; S687-W689 PolarHBondContact O-N 3.19Å; W689-R691 VanDerWaalsContact CH2-CZ 3.48Å; W689-R691 HydrophobicContact CZ2-CG 4.25Å; W689-D731 PolarHBondContact NE1-OD1 2.8Å |
| 690 | I | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.9 | -177.8 | -54.6 | 177 | 0 | 0 | 0 | 108.7 | P531 L533 L557 S574 L692 Y730 S732 L744 | P531-I690 HydrophobicContact CB-CD1 4.07Å; P531-I690 HydrophobicContact CG-CG2 4.19Å; L533-I690 HydrophobicContact CD2-CD1 4.02Å; L557-I690 HydrophobicContact CD2-CD1 3.98Å; L557-I690 HydrophobicContact CG-CD1 4.5Å; S574-I690 WeakPolarHBondContact O-CA 3.48Å; I690-L692 HydrophobicContact CG2-CD2 4.21Å; I690-Y730 HydrophobicContact CB-CE1 4.45Å; I690-Y730 HydrophobicContact CG2-CE1 4.44Å; I690-S732 PolarHBondContact N-OG 2.91Å; I690-S732 PolarHBondContact O-N 3.06Å; I690-L744 HydrophobicContact CD1-CD2 3.53Å; I690-L744 HydrophobicContact CG1-CD2 4.08Å |
| 691 | R | 89.5 | Confident | 82.6 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133 | 173.4 | -71.5 | 172.7 | -71.5 | -162.9 | -11.6 | 109.9 | P573 S574 D576 W689 L728 Y730 D731 | P573-R691 CarbonylContact C-O 3.6Å; P573-R691 WeakPolarHBondContact CA-O 3.21Å; S574-R691 PolarHBondContact N-O 2.91Å; S574-R691 PolarHBondContact O-N 3.37Å; S574-R691 PolarHBondContact OG-O 2.96Å; D576-R691 IonicContact OD2-NH2 2.6Å; D576-R691 PolarHBondContact OD2-NH2 3.31Å; W689-R691 VanDerWaalsContact CH2-CZ 3.48Å; W689-R691 HydrophobicContact CZ2-CG 4.25Å; R691-L728 HydrophobicContact CB-CD1 3.71Å; R691-L728 HydrophobicContact CG-CD1 3.92Å; R691-Y730 WeakPolarHBondContact CA-O 3.46Å; R691-D731 HydrophobicContact CG-CB 4.44Å |
| 692 | L | 89.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.7 | 174.3 | -50.7 | -178.7 | 0 | 0 | 0 | 109.5 | M426 W565 I571 P573 I690 I729 Y730 | M426-L692 HydrophobicContact CE-CD1 3.95Å; M426-L692 HydrophobicContact SD-CD1 4.43Å; W565-L692 HydrophobicContact CD2-CD1 4.33Å; W565-L692 HydrophobicContact CD2-CD2 4.22Å; W565-L692 HydrophobicContact CE3-CD2 3.83Å; W565-L692 HydrophobicContact CH2-CD1 4.06Å; W565-L692 HydrophobicContact CH2-CD2 3.64Å; W565-L692 HydrophobicContact CH2-CG 4.47Å; W565-L692 HydrophobicContact CZ2-CD1 3.59Å; W565-L692 HydrophobicContact CZ2-CD2 4.02Å; W565-L692 HydrophobicContact CZ2-CG 4.45Å; W565-L692 HydrophobicContact CZ3-CD2 3.53Å; I571-L692 HydrophobicContact CG2-CB 3.82Å; P573-L692 HydrophobicContact CB-CD2 3.67Å; I690-L692 HydrophobicContact CG2-CD2 4.21Å; L692-I729 HydrophobicContact CB-CD1 4.01Å; L692-I729 HydrophobicContact CB-CG1 3.67Å; L692-I729 HydrophobicContact CD1-CD1 4.47Å; L692-I729 WeakPolarHBondContact O-CG1 3.45Å; L692-I729 PolarHBondContact O-N 2.79Å; L692-Y730 HydrophobicContact CD1-CD1 4.18Å; L692-Y730 HydrophobicContact CD1-CG 4.2Å; L692-Y730 HydrophobicContact CG-CD1 3.9Å; L692-Y730 HydrophobicContact CG-CG 4.27Å; L692-Y730 PolarHBondContact N-O 2.73Å |
| 693 | S | 85.6 | Confident | 80.8 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.7 | 179 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | I571 E572 R727 | I571-S693 WeakPolarHBondContact CA-O 3.46Å; E572-S693 PolarHBondContact N-O 3.38Å; E572-S693 PolarHBondContact O-N 2.71Å; S693-R727 CarbonylContact C-O 3.5Å; S693-R727 WeakPolarHBondContact CA-O 3.33Å |
| 694 | V | 82.9 | Confident | 79.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.9 | 172 | 174 | 0 | 0 | 0 | 0 | 109.6 | Y424 I571 G696 R727 I729 | Y424-V694 HydrophobicContact CD2-CG2 3.71Å; Y424-V694 HydrophobicContact CE2-CG1 4.39Å; Y424-V694 HydrophobicContact CE2-CG2 3.77Å; I571-V694 HydrophobicContact CG1-CG2 3.85Å; V694-G696 VanDerWaalsContact C-N 3.26Å; V694-G696 PolarHBondContact O-N 3.28Å; V694-R727 PolarHBondContact N-O 2.99Å; V694-R727 PolarHBondContact O-N 2.92Å; V694-R727 VanDerWaalsContact O-N 3.13Å; V694-I729 HydrophobicContact CB-CG2 4.48Å; V694-I729 HydrophobicContact CG2-CD1 4.39Å; V694-I729 HydrophobicContact CG2-CG2 3.54Å |
| 695 | T | 72.3 | Confident | 77.1 | Confident | 41 Ų | 41 | 45.2 Ų | 45.2 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -89.1 | 56.5 | 176.6 | 42.9 | 0 | 0 | 0 | 0 | 111 | N570 E572 | N570-T695 PolarHBondContact ND2-O 3.49Å; N570-T695 VanDerWaalsContact ND2-O 3.08Å; N570-T695 PolarHBondContact ND2-OG1 3.13Å; N570-T695 VanDerWaalsContact ND2-OG1 3.1Å; N570-T695 PolarHBondContact O-N 3.42Å; N570-T695 PolarHBondContact O-OG1 2.73Å; N570-T695 PolarHBondContact OD1-OG1 2.8Å; E572-T695 HydrophobicContact CG-CG2 3.73Å; E572-T695 VanDerWaalsContact OE2-CG2 3.23Å; E572-T695 WeakPolarHBondContact OE2-CG2 3.41Å |
| 696 | G | 67.8 | Low | 75 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 25% | 0.247 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -172.7 | 169.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V694 R727 | V694-G696 VanDerWaalsContact C-N 3.26Å; V694-G696 PolarHBondContact O-N 3.28Å; G696-R727 WeakPolarHBondContact O-CD 3.01Å |
| 697 | K | 68.7 | Low | 72.8 | Confident | 166 Ų | 166 | 46.9 Ų | 46.9 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -108 | -11.3 | 179.5 | -69.8 | -177.6 | 178.7 | 177.1 | 0 | 114.2 | R727 | K697-R727 PolarHBondContact O-NH1 2.83Š|
| 698 | E | 70.9 | Confident | 70.5 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -80.5 | -47.2 | -167.2 | -59.5 | 178.8 | 144.5 | 0 | 0 | 113.2 | ||
| 699 | A | 74.5 | Confident | 67.9 | Low | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L422 Y424 R727 | L422-A699 HydrophobicContact CD2-CB 3.72Å; L422-A699 HydrophobicContact CG-CB 4.05Å; Y424-A699 HydrophobicContact CD1-CB 4.29Å; Y424-A699 HydrophobicContact CD2-CB 3.75Å; Y424-A699 HydrophobicContact CE1-CB 4.29Å; Y424-A699 HydrophobicContact CE2-CB 3.73Å; Y424-A699 HydrophobicContact CG-CB 4.03Å; A699-R727 VanDerWaalsContact O-CZ 3.31Å; A699-R727 PolarHBondContact O-NH1 2.96Å; A699-R727 PolarHBondContact O-NH2 2.88Å |
| 700 | E | 76.6 | Confident | 65.5 | Low | 62 Ų | 62 | 60.7 Ų | 60.7 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 164.3 | 161.3 | -68.6 | -162.6 | -169.7 | 0 | 0 | 111.9 | K420 L422 F423 Y424 | K420-E700 HydrophobicContact CB-CB 4.39Å; K420-E700 HydrophobicContact CD-CG 4.48Å; K420-E700 VanDerWaalsContact CE-OE2 3.29Å; K420-E700 WeakPolarHBondContact CE-OE2 3.26Å; K420-E700 HydrophobicContact CG-CB 4.12Å; K420-E700 HydrophobicContact CG-CG 4.15Å; K420-E700 WeakPolarHBondContact CG-OE2 3.25Å; K420-E700 IonicContact NZ-OE1 3.74Å; K420-E700 PolarHBondContact NZ-OE1 2.88Å; K420-E700 IonicContact NZ-OE2 3.96Å; K420-E700 PolarHBondContact NZ-OE2 3.02Å; L422-E700 PolarHBondContact O-N 2.82Å; F423-E700 VanDerWaalsContact CA-O 3.3Å; F423-E700 WeakPolarHBondContact CA-O 3.29Å; F423-E700 HydrophobicContact CD1-CB 4.02Å; F423-E700 WeakPolarHBondContact CD1-O 3.33Å; F423-E700 HydrophobicContact CE1-CB 3.79Å; Y424-E700 PolarHBondContact N-O 2.98Å |
| 701 | F | 72.6 | Confident | 63 | Low | 29 Ų | 29 | 68.1 Ų | 68.1 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | trans | -171.2 | 155 | -169.7 | 50.9 | -95.3 | 0 | 0 | 0 | 107.5 | Y424 R727 L728 I729 | Y424-F701 WeakPolarHBondContact O-CB 3.39Å; F701-R727 HydrophobicContact CE1-CB 4.08Å; F701-R727 HydrophobicContact CZ-CB 3.59Å; F701-L728 WeakPolarHBondContact CE2-O 3.04Å; F701-I729 HydrophobicContact CD1-CG2 3.53Å; F701-I729 HydrophobicContact CD2-CB 4.37Å; F701-I729 HydrophobicContact CD2-CG2 3.88Å; F701-I729 HydrophobicContact CE1-CG2 3.42Å; F701-I729 VanDerWaalsContact CE1-CG2 3.42Å; F701-I729 HydrophobicContact CE2-CB 4.43Å; F701-I729 HydrophobicContact CE2-CG2 3.8Å; F701-I729 HydrophobicContact CG-CB 4.48Å; F701-I729 HydrophobicContact CG-CG2 3.72Å; F701-I729 HydrophobicContact CZ-CG2 3.52Å | ||
| 702 | E | 62.8 | Low | 60.8 | Low | 150 Ų | 150 | 70.5 Ų | 70.5 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 138.1 | 174 | -165.7 | 168.4 | -143 | 0 | 0 | 110.2 | ||
| 703 | I | 59.4 | Low | 58.6 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 133.8 | 177.4 | -63.9 | 174.9 | 0 | 0 | 0 | 108.2 | N705 L707 | I703-N705 PolarHBondContact O-N 2.97Å; I703-N705 VanDerWaalsContact O-N 3.14Å; I703-L707 HydrophobicContact CG2-CB 4.26Å; I703-L707 HydrophobicContact CG2-CD1 3.48Å; I703-L707 VanDerWaalsContact CG2-CD1 3.48Å |
| 704 | P | 52.4 | Low | 56.4 | Low | 27 Ų | 27 | 78.5 Ų | 78.5 | 18% | 0.175 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 120.1 | -178.7 | -30.1 | 35.8 | 0 | 0 | 0 | 113.4 | G706 L707 W734 | P704-G706 PolarHBondContact O-N 2.9Å; P704-L707 WeakPolarHBondContact O-CB 2.99Å; P704-L707 PolarHBondContact O-N 2.94Å; P704-W734 HydrophobicContact CB-CB 4.18Å; P704-W734 HydrophobicContact CB-CG 4.27Å |
| 705 | N | 45.9 | Very low | 54.3 | Low | 106 Ų | 106 | 89.4 Ų | 89.4 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.5 | -167.6 | -80.1 | -50.3 | 0 | 0 | 0 | 115.5 | I703 L707 I708 | I703-N705 PolarHBondContact O-N 2.97Å; I703-N705 VanDerWaalsContact O-N 3.14Å; N705-L707 PolarHBondContact O-N 2.7Å; N705-I708 PolarHBondContact O-N 3.42Å |
| 706 | G | 45.8 | Very low | 52.7 | Low | 13 Ų | 13 | 96.6 Ų | 96.6 | 13% | 0.134 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.3 | -20.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | P704 I708 W734 | P704-G706 PolarHBondContact O-N 2.9Å; G706-I708 PolarHBondContact O-N 3.03Å; G706-W734 WeakPolarHBondContact O-CH2 3.4Å; G706-W734 WeakPolarHBondContact O-CZ2 3.22Å |
| 707 | L | 46.6 | Very low | 51.2 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -14.5 | 175.7 | -84.2 | 160.1 | 0 | 0 | 0 | 114.2 | I703 P704 N705 F719 L728 | I703-L707 HydrophobicContact CG2-CB 4.26Å; I703-L707 HydrophobicContact CG2-CD1 3.48Å; I703-L707 VanDerWaalsContact CG2-CD1 3.48Å; P704-L707 WeakPolarHBondContact O-CB 2.99Å; P704-L707 PolarHBondContact O-N 2.94Å; N705-L707 PolarHBondContact O-N 2.7Å; L707-F719 HydrophobicContact CD2-CZ 4.35Å; L707-L728 HydrophobicContact CD1-CD2 4.48Å |
| 708 | I | 42.7 | Very low | 49.7 | Very low | 127 Ų | 127 | 92.6 Ų | 92.6 | 65% | 0.651 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -100.5 | -28.2 | -178.9 | -57.8 | 176.7 | 0 | 0 | 0 | 111.5 | N705 G706 | N705-I708 PolarHBondContact O-N 3.42Å; G706-I708 PolarHBondContact O-N 3.03Å |
| 709 | S | 38.4 | Very low | 48.1 | Very low | 82 Ų | 82 | 94.9 Ų | 94.9 | 57% | 0.573 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -94.8 | -26.2 | -170.2 | 53.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 710 | H | 38.6 | Very low | 46.3 | Very low | 109 Ų | 109 | 99.4 Ų | 99.4 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | trans | -107.5 | 60.2 | -174.2 | -77.4 | -79.8 | 0 | 0 | 0 | 114.3 | S712 W734 | H710-S712 PolarHBondContact O-N 2.98Å; H710-S712 VanDerWaalsContact O-N 3.08Å; H710-W734 HydrophobicContact CB-CH2 3.99Å | ||
| 711 | H | 40.1 | Very low | 44.5 | Very low | 156 Ų | 156 | 104.2 Ų | 104.2 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.8 | 179.5 | -100.3 | -54.4 | 0 | 0 | 0 | 115.9 | ||
| 712 | S | 41.9 | Very low | 42.8 | Very low | 102 Ų | 102 | 107.1 Ų | 107.1 | 71% | 0.713 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -25 | -175.2 | 50.7 | 0 | 0 | 0 | 0 | 115.3 | H710 | H710-S712 PolarHBondContact O-N 2.98Å; H710-S712 VanDerWaalsContact O-N 3.08Å |
| 713 | F | 43 | Very low | 41.6 | Very low | 141 Ų | 141 | 103.2 Ų | 103.2 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -17 | -173.3 | -113.4 | -92.7 | 0 | 0 | 0 | 115 | N581 H582 R715 | N581-F713 VanDerWaalsContact O-CE1 3.22Å; N581-F713 WeakPolarHBondContact O-CE1 3.48Å; H582-F713 AromaticContact ND1-CZ 3.75Å; F713-R715 PolarHBondContact O-N 3.17Å |
| 714 | A | 40 | Very low | 41.1 | Very low | 47 Ų | 47 | 103 Ų | 103 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -85.8 | 5.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | F719 | A714-F719 HydrophobicContact CB-CE2 4.4Š|
| 715 | R | 38.4 | Very low | 41 | Very low | 234 Ų | 234 | 105.4 Ų | 105.4 | 88% | 0.883 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -97 | 2.4 | -161.6 | -133 | 179.4 | -165.8 | -179.9 | 6.8 | 117.1 | F713 | F713-R715 PolarHBondContact O-N 3.17Š|
| 716 | Q | 39.7 | Very low | 41.6 | Very low | 192 Ų | 192 | 103.2 Ų | 103.2 | 90% | 0.897 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -130.3 | -0.1 | -179.7 | -73.6 | -177.5 | -24.4 | 0 | 0 | 115 | ||
| 717 | A | 35.7 | Very low | 42.8 | Very low | 45 Ų | 45 | 106.1 Ų | 106.1 | 37% | 0.372 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -139.1 | 138.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F719 | A717-F719 PolarHBondContact O-N 2.68Š|
| 718 | Q | 38 | Very low | 44.3 | Very low | 60 Ų | 60 | 105.9 Ų | 105.9 | 28% | 0.28 | 58% | 0.575 | S | S | . | * | S | Bend | trans | 60.9 | 0.1 | 153.8 | -71.1 | -177 | -7.8 | 0 | 0 | 122.1 | D576 A720 | D576-Q718 PolarHBondContact OD2-NE2 3.15Å; Q718-A720 PolarHBondContact O-N 3.21Å |
| 719 | F | 37.7 | Very low | 46.2 | Very low | 153 Ų | 153 | 100.5 Ų | 100.5 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -0.2 | 165.1 | -101.4 | -68.7 | 0 | 0 | 0 | 114.4 | L707 A714 A717 | L707-F719 HydrophobicContact CD2-CZ 4.35Å; A714-F719 HydrophobicContact CB-CE2 4.4Å; A717-F719 PolarHBondContact O-N 2.68Å |
| 720 | A | 35 | Very low | 48.5 | Very low | 98 Ų | 98 | 97.2 Ų | 97.2 | 81% | 0.81 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 5.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q718 | Q718-A720 PolarHBondContact O-N 3.21Š|
| 721 | Q | 39.8 | Very low | 50.8 | Low | 163 Ų | 163 | 92.1 Ų | 92.1 | 76% | 0.762 | 50% | 0.499 | S | S | * | . | trans | -129.9 | -1.3 | -174.7 | -79.6 | -177.8 | -27.1 | 0 | 0 | 116 | S723 | Q721-S723 VanDerWaalsContact C-N 3.34Å; Q721-S723 PolarHBondContact O-N 3.09Å | ||
| 722 | S | 36 | Very low | 53.1 | Low | 90 Ų | 90 | 85.4 Ų | 85.4 | 63% | 0.629 | 47% | 0.47 | S | S | * | . | trans | -74 | 87.6 | 172 | 60 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 723 | S | 39.4 | Very low | 55.1 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 48% | 0.483 | 46% | 0.457 | S | S | . | . | trans | -50.1 | 146.9 | 163.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | Q721 T725 N726 | Q721-S723 VanDerWaalsContact C-N 3.34Å; Q721-S723 PolarHBondContact O-N 3.09Å; S723-T725 WeakPolarHBondContact CB-OG1 3.36Å; S723-T725 PolarHBondContact O-N 3.4Å; S723-T725 PolarHBondContact OG-OG1 2.99Å; S723-N726 PolarHBondContact O-N 2.99Å | ||
| 724 | A | 47.2 | Very low | 56.8 | Low | 94 Ų | 94 | 83.1 Ų | 83.1 | 78% | 0.777 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 18 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 725 | T | 51.4 | Low | 59 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -33.1 | 179.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | S723 | S723-T725 WeakPolarHBondContact CB-OG1 3.36Å; S723-T725 PolarHBondContact O-N 3.4Å; S723-T725 PolarHBondContact OG-OG1 2.99Å |
| 726 | N | 57.9 | Low | 61 | Low | 61 Ų | 61 | 76.4 Ų | 76.4 | 33% | 0.326 | 42% | 0.419 | S | S | . | . | trans | -114.1 | 107.6 | -169.5 | -68.3 | 54.2 | 0 | 0 | 0 | 109.1 | E572 S723 | E572-N726 PolarHBondContact OE2-ND2 2.9Å; S723-N726 PolarHBondContact O-N 2.99Å | ||
| 727 | R | 72.1 | Confident | 63.2 | Low | 74 Ų | 74 | 70.3 Ų | 70.3 | 28% | 0.279 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 117.2 | -177 | -53.7 | 170.9 | 53.6 | -166.9 | -9.6 | 109.8 | S693 V694 G696 K697 A699 F701 I729 | S693-R727 CarbonylContact C-O 3.5Å; S693-R727 WeakPolarHBondContact CA-O 3.33Å; V694-R727 PolarHBondContact N-O 2.99Å; V694-R727 PolarHBondContact O-N 2.92Å; V694-R727 VanDerWaalsContact O-N 3.13Å; G696-R727 WeakPolarHBondContact O-CD 3.01Å; K697-R727 PolarHBondContact O-NH1 2.83Å; A699-R727 VanDerWaalsContact O-CZ 3.31Å; A699-R727 PolarHBondContact O-NH1 2.96Å; A699-R727 PolarHBondContact O-NH2 2.88Å; F701-R727 HydrophobicContact CE1-CB 4.08Å; F701-R727 HydrophobicContact CZ-CB 3.59Å; R727-I729 PolarHBondContact O-N 3.43Å |
| 728 | L | 77.7 | Confident | 65.6 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 115.6 | -175.7 | -178.3 | 74.4 | 0 | 0 | 0 | 112.1 | R691 F701 L707 Y730 D731 | R691-L728 HydrophobicContact CB-CD1 3.71Å; R691-L728 HydrophobicContact CG-CD1 3.92Å; F701-L728 WeakPolarHBondContact CE2-O 3.04Å; L707-L728 HydrophobicContact CD1-CD2 4.48Å; L728-Y730 VanDerWaalsContact CD1-O 3.3Å; L728-Y730 WeakPolarHBondContact CD1-O 3.45Å; L728-D731 HydrophobicContact CD2-CB 4.33Å |
| 729 | I | 82.6 | Confident | 68.1 | Low | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -27.8 | 177.8 | 63 | 171.4 | 0 | 0 | 0 | 113.6 | M426 V528 I571 L692 V694 F701 R727 | M426-I729 HydrophobicContact SD-CD1 4.12Å; V528-I729 HydrophobicContact CG1-CD1 4.42Å; I571-I729 HydrophobicContact CD1-CD1 3.48Å; I571-I729 VanDerWaalsContact CD1-CD1 3.48Å; I571-I729 HydrophobicContact CG1-CD1 3.96Å; I571-I729 HydrophobicContact CG2-CD1 4.25Å; L692-I729 HydrophobicContact CB-CD1 4.01Å; L692-I729 HydrophobicContact CB-CG1 3.67Å; L692-I729 HydrophobicContact CD1-CD1 4.47Å; L692-I729 WeakPolarHBondContact O-CG1 3.45Å; L692-I729 PolarHBondContact O-N 2.79Å; V694-I729 HydrophobicContact CB-CG2 4.48Å; V694-I729 HydrophobicContact CG2-CD1 4.39Å; V694-I729 HydrophobicContact CG2-CG2 3.54Å; F701-I729 HydrophobicContact CD1-CG2 3.53Å; F701-I729 HydrophobicContact CD2-CB 4.37Å; F701-I729 HydrophobicContact CD2-CG2 3.88Å; F701-I729 HydrophobicContact CE1-CG2 3.42Å; F701-I729 VanDerWaalsContact CE1-CG2 3.42Å; F701-I729 HydrophobicContact CE2-CB 4.43Å; F701-I729 HydrophobicContact CE2-CG2 3.8Å; F701-I729 HydrophobicContact CG-CB 4.48Å; F701-I729 HydrophobicContact CG-CG2 3.72Å; F701-I729 HydrophobicContact CZ-CG2 3.52Å; R727-I729 PolarHBondContact O-N 3.43Å |
| 730 | Y | 86.1 | Confident | 70.5 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142 | -172.1 | 171.5 | -83.8 | 0 | 0 | 0 | 109.8 | M426 P531 I690 R691 L692 L728 E735 | M426-Y730 HydrophobicContact CE-CD2 4.05Å; M426-Y730 HydrophobicContact CE-CG 4.36Å; M426-Y730 HydrophobicContact CG-CD2 4.28Å; M426-Y730 HydrophobicContact SD-CD2 4.5Å; P531-Y730 HydrophobicContact CG-CD1 4.28Å; P531-Y730 HydrophobicContact CG-CE1 3.6Å; I690-Y730 HydrophobicContact CB-CE1 4.45Å; I690-Y730 HydrophobicContact CG2-CE1 4.44Å; R691-Y730 WeakPolarHBondContact CA-O 3.46Å; L692-Y730 HydrophobicContact CD1-CD1 4.18Å; L692-Y730 HydrophobicContact CD1-CG 4.2Å; L692-Y730 HydrophobicContact CG-CD1 3.9Å; L692-Y730 HydrophobicContact CG-CG 4.27Å; L692-Y730 PolarHBondContact N-O 2.73Å; L728-Y730 VanDerWaalsContact CD1-O 3.3Å; L728-Y730 WeakPolarHBondContact CD1-O 3.45Å; Y730-E735 WeakPolarHBondContact CE2-OE2 3.49Å; Y730-E735 PolarHBondContact OH-OE2 2.84Å |
| 731 | D | 86.7 | Confident | 73.1 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.011 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 117.6 | 178.6 | -176.6 | -36.3 | 0 | 0 | 0 | 107.5 | W689 R691 L728 R733 W734 | W689-D731 PolarHBondContact NE1-OD1 2.8Å; R691-D731 HydrophobicContact CG-CB 4.44Å; L728-D731 HydrophobicContact CD2-CB 4.33Å; D731-R733 PolarHBondContact O-N 2.84Å; D731-R733 WeakPolarHBondContact OD1-CB 3.31Å; D731-R733 WeakPolarHBondContact OD1-CG 3.2Å; D731-R733 IonicContact OD1-CZ 2.83Å; D731-R733 PolarHBondContact OD1-N 2.67Å; D731-R733 IonicContact OD1-NE 3.16Å; D731-R733 PolarHBondContact OD1-NE 3.08Å; D731-R733 IonicContact OD1-NH2 2.73Å; D731-R733 IonicContact OD2-CZ 2.76Å; D731-R733 IonicContact OD2-NE 2.72Å; D731-R733 PolarHBondContact OD2-NE 2.99Å; D731-R733 IonicContact OD2-NH2 2.63Å; D731-R733 PolarHBondContact OD2-NH2 3.09Å; D731-W734 PolarHBondContact O-N 2.89Å |
| 732 | S | 88.9 | Confident | 75.5 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -64.1 | -12.8 | -170.1 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | C688 I690 W734 E735 | C688-S732 PolarHBondContact O-OG 3.09Å; I690-S732 PolarHBondContact N-OG 2.91Å; I690-S732 PolarHBondContact O-N 3.06Å; S732-W734 PolarHBondContact O-N 2.9Å; S732-E735 PolarHBondContact O-N 2.59Å |
| 733 | R | 82.8 | Confident | 78.2 | Confident | 118 Ų | 118 | 62 Ų | 62 | 45% | 0.445 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -64.5 | -18.5 | 170.8 | -62.1 | 179 | -65.4 | 169.7 | -0 | 113.3 | I578 D731 | I578-R733 HydrophobicContact CD1-CG 3.64Å; D731-R733 PolarHBondContact O-N 2.84Å; D731-R733 WeakPolarHBondContact OD1-CB 3.31Å; D731-R733 WeakPolarHBondContact OD1-CG 3.2Å; D731-R733 IonicContact OD1-CZ 2.83Å; D731-R733 PolarHBondContact OD1-N 2.67Å; D731-R733 IonicContact OD1-NE 3.16Å; D731-R733 PolarHBondContact OD1-NE 3.08Å; D731-R733 IonicContact OD1-NH2 2.73Å; D731-R733 IonicContact OD2-CZ 2.76Å; D731-R733 IonicContact OD2-NE 2.72Å; D731-R733 PolarHBondContact OD2-NE 2.99Å; D731-R733 IonicContact OD2-NH2 2.63Å; D731-R733 PolarHBondContact OD2-NH2 3.09Å |
| 734 | W | 80 | Confident | 80.7 | Confident | 77 Ų | 77 | 59 Ų | 59 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -115.6 | 19.7 | -179.6 | -48.3 | 123.4 | 0 | 0 | 0 | 112.6 | P704 G706 H710 D731 S732 | P704-W734 HydrophobicContact CB-CB 4.18Å; P704-W734 HydrophobicContact CB-CG 4.27Å; G706-W734 WeakPolarHBondContact O-CH2 3.4Å; G706-W734 WeakPolarHBondContact O-CZ2 3.22Å; H710-W734 HydrophobicContact CB-CH2 3.99Å; D731-W734 PolarHBondContact O-N 2.89Å; S732-W734 PolarHBondContact O-N 2.9Å |
| 735 | E | 85.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | trans | -65.1 | 134.8 | 173.7 | -175.7 | 49.9 | -87.7 | 0 | 0 | 110.4 | K530 Y730 S732 D737 L740 | K530-E735 WeakPolarHBondContact CD-OE2 3.12Å; K530-E735 VanDerWaalsContact NZ-CD 3.27Å; K530-E735 IonicContact NZ-OE1 2.73Å; K530-E735 PolarHBondContact NZ-OE1 3.08Å; K530-E735 IonicContact NZ-OE2 2.75Å; K530-E735 PolarHBondContact NZ-OE2 2.96Å; Y730-E735 WeakPolarHBondContact CE2-OE2 3.49Å; Y730-E735 PolarHBondContact OH-OE2 2.84Å; S732-E735 PolarHBondContact O-N 2.59Å; E735-D737 HydrophobicContact CG-CB 4.16Å; E735-D737 PolarHBondContact OE1-N 3.36Å; E735-L740 HydrophobicContact CG-CB 4.28Å; E735-L740 HydrophobicContact CG-CD2 4.19Å; E735-L740 HydrophobicContact CG-CG 4.27Å | ||
| 736 | T | 81.2 | Confident | 84.8 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | trans | -103.7 | -15.5 | -178.6 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | T738 | T736-T738 PolarHBondContact O-N 3.32Š| ||
| 737 | D | 85.1 | Confident | 86.4 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | trans | -74 | 114.6 | 169.9 | -172.8 | -46.5 | 0 | 0 | 0 | 110.6 | E735 E739 L740 A741 | E735-D737 HydrophobicContact CG-CB 4.16Å; E735-D737 PolarHBondContact OE1-N 3.36Å; D737-E739 VanDerWaalsContact C-N 3.29Å; D737-E739 PolarHBondContact O-N 3.02Å; D737-E739 PolarHBondContact OD1-N 3.41Å; D737-L740 HydrophobicContact CB-CB 4.16Å; D737-L740 PolarHBondContact OD1-N 2.9Å; D737-A741 VanDerWaalsContact O-CB 3.22Å; D737-A741 WeakPolarHBondContact O-CB 3.18Å; D737-A741 PolarHBondContact O-N 2.99Å | ||
| 738 | T | 87.4 | Confident | 87.3 | Confident | 97 Ų | 97 | 51 Ų | 51 | 60% | 0.595 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -72.7 | -16.7 | -175.7 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | T736 K742 | T736-T738 PolarHBondContact O-N 3.32Å; T738-K742 WeakPolarHBondContact O-CD 3.39Å; T738-K742 VanDerWaalsContact O-CE 3.26Å; T738-K742 WeakPolarHBondContact O-CE 3.11Å; T738-K742 WeakPolarHBondContact O-CG 3.36Å |
| 739 | E | 89.4 | Confident | 87.7 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -87.3 | -43.1 | 174.9 | -57.6 | -44.9 | 124.1 | 0 | 0 | 110.9 | D737 A741 K742 Q743 | D737-E739 VanDerWaalsContact C-N 3.29Å; D737-E739 PolarHBondContact O-N 3.02Å; D737-E739 PolarHBondContact OD1-N 3.41Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.24Å; E739-K742 PolarHBondContact O-N 3.16Å; E739-K742 IonicContact OE1-NZ 2.65Å; E739-K742 PolarHBondContact OE1-NZ 2.94Å; E739-K742 IonicContact OE2-NZ 2.68Å; E739-K742 PolarHBondContact OE2-NZ 3.47Å; E739-Q743 WeakPolarHBondContact O-CG 3.26Å; E739-Q743 PolarHBondContact O-N 3.07Å |
| 740 | L | 89.4 | Confident | 87.8 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 173.6 | -176.9 | 54.9 | 0 | 0 | 0 | 111.4 | K530 P531 E735 D737 K742 Q743 L744 | K530-L740 HydrophobicContact CB-CD2 4.23Å; K530-L740 HydrophobicContact CD-CD2 4.24Å; P531-L740 WeakPolarHBondContact O-CD1 3.44Å; P531-L740 WeakPolarHBondContact O-CD2 3.18Å; E735-L740 HydrophobicContact CG-CB 4.28Å; E735-L740 HydrophobicContact CG-CD2 4.19Å; E735-L740 HydrophobicContact CG-CG 4.27Å; D737-L740 HydrophobicContact CB-CB 4.16Å; D737-L740 PolarHBondContact OD1-N 2.9Å; L740-K742 VanDerWaalsContact C-N 3.3Å; L740-K742 PolarHBondContact O-N 2.92Å; L740-Q743 PolarHBondContact O-N 2.03Å; L740-L744 HydrophobicContact CD1-CD1 4.3Å; L740-L744 HydrophobicContact CD1-CG 4.3Å; L740-L744 HydrophobicContact CG-CD1 4.04Å; L740-L744 WeakPolarHBondContact O-CD1 3.49Å; L740-L744 VanDerWaalsContact O-CG 3.25Å; L740-L744 WeakPolarHBondContact O-CG 3.38Å; L740-L744 PolarHBondContact O-N 3.46Å; L740-L744 VanDerWaalsContact O-N 3.07Å |
| 741 | A | 88.7 | Confident | 87.5 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D737 E739 | D737-A741 VanDerWaalsContact O-CB 3.22Å; D737-A741 WeakPolarHBondContact O-CB 3.18Å; D737-A741 PolarHBondContact O-N 2.99Å; E739-A741 VanDerWaalsContact C-N 3.35Å; E739-A741 PolarHBondContact O-N 3.24Å |
| 742 | K | 90.7 | Very high | 86.7 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.7 | -47.7 | 172.1 | -72.9 | 163.3 | -166 | 169.9 | 0 | 111.6 | T738 E739 L740 L744 T745 | T738-K742 WeakPolarHBondContact O-CD 3.39Å; T738-K742 VanDerWaalsContact O-CE 3.26Å; T738-K742 WeakPolarHBondContact O-CE 3.11Å; T738-K742 WeakPolarHBondContact O-CG 3.36Å; E739-K742 PolarHBondContact O-N 3.16Å; E739-K742 IonicContact OE1-NZ 2.65Å; E739-K742 PolarHBondContact OE1-NZ 2.94Å; E739-K742 IonicContact OE2-NZ 2.68Å; E739-K742 PolarHBondContact OE2-NZ 3.47Å; L740-K742 VanDerWaalsContact C-N 3.3Å; L740-K742 PolarHBondContact O-N 2.92Å; K742-L744 PolarHBondContact O-N 2.75Å; K742-T745 PolarHBondContact O-N 2.86Å |
| 743 | Q | 92.3 | Very high | 85.6 | Confident | 80 Ų | 80 | 59.3 Ų | 59.3 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.8 | -45.8 | 179.9 | -76.7 | 174.7 | 9.2 | 0 | 0 | 111.1 | L533 S536 P537 S538 E739 L740 T745 | L533-Q743 HydrophobicContact CD1-CB 4.28Å; S536-Q743 VanDerWaalsContact OG-C 3.31Å; S536-Q743 VanDerWaalsContact OG-CA 3.27Å; S536-Q743 WeakPolarHBondContact OG-CA 3.46Å; S536-Q743 VanDerWaalsContact OG-CB 3.26Å; S536-Q743 WeakPolarHBondContact OG-CB 3.49Å; S536-Q743 PolarHBondContact OG-O 2.92Å; P537-Q743 VanDerWaalsContact CD-O 3.29Å; P537-Q743 WeakPolarHBondContact CD-O 3.26Å; S538-Q743 PolarHBondContact N-O 2.89Å; S538-Q743 VanDerWaalsContact N-O 3.12Å; E739-Q743 WeakPolarHBondContact O-CG 3.26Å; E739-Q743 PolarHBondContact O-N 3.07Å; L740-Q743 PolarHBondContact O-N 2.03Å; Q743-T745 PolarHBondContact O-N 2.86Å |
| 744 | L | 92.4 | Very high | 84.2 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.5 | 179.5 | -70.2 | 163.7 | 0 | 0 | 0 | 115.5 | L533 S687 C688 I690 L740 K742 | L533-L744 HydrophobicContact CD1-CD2 4.12Å; S687-L744 CarbonylContact C-O 3.53Å; S687-L744 WeakPolarHBondContact CA-O 3.16Å; C688-L744 HydrophobicContact CB-CD2 4.2Å; C688-L744 PolarHBondContact N-O 2.87Å; I690-L744 HydrophobicContact CD1-CD2 3.53Å; I690-L744 HydrophobicContact CG1-CD2 4.08Å; L740-L744 HydrophobicContact CD1-CD1 4.3Å; L740-L744 HydrophobicContact CD1-CG 4.3Å; L740-L744 HydrophobicContact CG-CD1 4.04Å; L740-L744 WeakPolarHBondContact O-CD1 3.49Å; L740-L744 VanDerWaalsContact O-CG 3.25Å; L740-L744 WeakPolarHBondContact O-CG 3.38Å; L740-L744 PolarHBondContact O-N 3.46Å; L740-L744 VanDerWaalsContact O-N 3.07Å; K742-L744 PolarHBondContact O-N 2.75Å |
| 745 | T | 91.8 | Very high | 82.6 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.1 | -174.2 | -56.9 | 0 | 0 | 0 | 0 | 113.2 | I685 L686 S687 K742 Q743 F747 | I685-T745 HydrophobicContact CG2-CG2 3.58Å; L686-T745 WeakPolarHBondContact O-CA 3.31Å; S687-T745 VanDerWaalsContact OG-CG2 3.32Å; S687-T745 WeakPolarHBondContact OG-CG2 3.4Å; S687-T745 PolarHBondContact OG-OG1 2.85Å; K742-T745 PolarHBondContact O-N 2.86Å; Q743-T745 PolarHBondContact O-N 2.86Å; T745-F747 HydrophobicContact CG2-CD2 4.13Å; T745-F747 HydrophobicContact CG2-CE1 4.15Å; T745-F747 HydrophobicContact CG2-CE2 3.55Å; T745-F747 HydrophobicContact CG2-CZ 3.56Å |
| 746 | A | 92.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | P537 V553 L686 | P537-A746 HydrophobicContact CB-CB 4.06Å; P537-A746 WeakPolarHBondContact O-CB 3.3Å; V553-A746 HydrophobicContact CG1-CB 3.73Å; L686-A746 HydrophobicContact CB-CB 4.33Å; L686-A746 PolarHBondContact N-O 2.89Å; L686-A746 PolarHBondContact O-N 3.41Å |
| 747 | F | 91.5 | Very high | 78.3 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.3 | 172.6 | -62.5 | -88.6 | 0 | 0 | 0 | 109.2 | N541 C542 L684 I685 T745 | N541-F747 WeakPolarHBondContact CA-O 3.43Å; N541-F747 PolarHBondContact OD1-N 2.92Å; N541-F747 PolarHBondContact OD1-O 3.05Å; C542-F747 PolarHBondContact N-O 2.85Å; L684-F747 WeakPolarHBondContact O-CA 3.39Å; I685-F747 HydrophobicContact CD1-CE1 4.22Å; I685-F747 HydrophobicContact CG1-CD1 4.03Å; I685-F747 HydrophobicContact CG1-CE1 4Å; I685-F747 HydrophobicContact CG2-CE1 4.15Å; T745-F747 HydrophobicContact CG2-CD2 4.13Å; T745-F747 HydrophobicContact CG2-CE1 4.15Å; T745-F747 HydrophobicContact CG2-CE2 3.55Å; T745-F747 HydrophobicContact CG2-CZ 3.56Å |
| 748 | R | 90 | Very high | 76.1 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 101.8 | 175.9 | -54.7 | -78.5 | -62.7 | -162.3 | -2 | 107.9 | E540 C542 C546 Y551 D683 L684 F750 | E540-R748 WeakPolarHBondContact O-CD 3.37Å; E540-R748 PolarHBondContact O-NH1 2.92Å; C542-R748 WeakPolarHBondContact O-CA 3.23Å; C546-R748 HydrophobicContact CB-CB 4.34Å; C546-R748 PolarHBondContact O-NH2 2.71Å; C546-R748 VanDerWaalsContact O-NH2 3.13Å; Y551-R748 VanDerWaalsContact CD1-NH2 3.31Å; Y551-R748 HydrophobicContact CE2-CG 3.82Å; Y551-R748 WeakPolarHBondContact OH-CG 3.4Å; D683-R748 WeakPolarHBondContact CA-O 3.45Å; L684-R748 HydrophobicContact CB-CB 4.24Å; L684-R748 PolarHBondContact N-O 2.6Å; L684-R748 PolarHBondContact O-N 2.8Å; R748-F750 PolarHBondContact O-N 3.29Å |
| 749 | T | 86.9 | Confident | 73.9 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 120.2 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | C542 C546 D683 | C542-T749 PolarHBondContact O-N 2.88Å; C546-T749 VanDerWaalsContact CB-O 3.32Å; C546-T749 WeakPolarHBondContact CB-O 3.27Å; C546-T749 PolarHBondContact SG-O 3Å; D683-T749 VanDerWaalsContact OD1-CA 3.27Å; D683-T749 WeakPolarHBondContact OD1-CA 3.46Å; D683-T749 VanDerWaalsContact OD1-CB 3.25Å; D683-T749 WeakPolarHBondContact OD1-CB 3.33Å; D683-T749 WeakPolarHBondContact OD1-CG2 3.44Å; D683-T749 PolarHBondContact OD1-OG1 3.41Å |
| 750 | F | 85 | Confident | 71.8 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 139.6 | 172.8 | -70.6 | -74.8 | 0 | 0 | 0 | 109.1 | D547 L665 K666 L669 P681 K682 L684 R748 P752 | D547-F750 HydrophobicContact CB-CD1 3.91Å; D547-F750 HydrophobicContact CB-CE1 4.5Å; D547-F750 WeakPolarHBondContact OD2-CD1 3.4Å; L665-F750 HydrophobicContact CG-CE1 4.4Å; L665-F750 HydrophobicContact CG-CZ 4.39Å; K666-F750 HydrophobicContact CB-CD1 3.68Å; K666-F750 HydrophobicContact CB-CE1 3.83Å; K666-F750 HydrophobicContact CB-CG 4.19Å; K666-F750 HydrophobicContact CB-CZ 4.46Å; K666-F750 HydrophobicContact CD-CB 3.89Å; K666-F750 HydrophobicContact CD-CD1 4.22Å; K666-F750 HydrophobicContact CD-CG 4.15Å; K666-F750 HydrophobicContact CG-CB 4.12Å; K666-F750 HydrophobicContact CG-CD1 3.88Å; K666-F750 HydrophobicContact CG-CD2 4.36Å; K666-F750 HydrophobicContact CG-CE1 4.39Å; K666-F750 HydrophobicContact CG-CG 3.87Å; L669-F750 HydrophobicContact CD1-CE2 4.03Å; L669-F750 HydrophobicContact CD1-CZ 3.59Å; P681-F750 HydrophobicContact CG-CE2 4.25Å; P681-F750 VanDerWaalsContact O-CD2 3.23Å; P681-F750 WeakPolarHBondContact O-CD2 3.38Å; K682-F750 PolarHBondContact O-N 3.44Å; L684-F750 HydrophobicContact CB-CE2 3.81Å; L684-F750 HydrophobicContact CB-CZ 3.74Å; L684-F750 HydrophobicContact CD1-CZ 4.17Å; L684-F750 HydrophobicContact CG-CZ 4.46Å; R748-F750 PolarHBondContact O-N 3.29Å; F750-P752 VanDerWaalsContact O-N 3.13Å |
| 751 | T | 78.9 | Confident | 70.1 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 23% | 0.233 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 125 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 107.8 | D547 K666 D753 | D547-T751 VanDerWaalsContact CG-N 3.31Å; D547-T751 WeakPolarHBondContact OD1-CB 3.49Å; D547-T751 PolarHBondContact OD1-N 2.81Å; D547-T751 PolarHBondContact OD1-OG1 3.27Å; D547-T751 PolarHBondContact OD2-N 3.14Å; K666-T751 PolarHBondContact NZ-O 3.19Å; T751-D753 PolarHBondContact O-N 2.92Å |
| 752 | P | 71.4 | Confident | 68.9 | Low | 102 Ų | 102 | 69.2 Ų | 69.2 | 66% | 0.662 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 133.7 | -179.9 | 24.1 | -33.6 | 0 | 0 | 0 | 107.6 | F750 I754 | F750-P752 VanDerWaalsContact O-N 3.13Å; P752-I754 PolarHBondContact O-N 3.41Å; P752-I754 VanDerWaalsContact O-N 3.13Å |
| 753 | D | 65.5 | Low | 68.2 | Low | 96 Ų | 96 | 70.7 Ų | 70.7 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 130.4 | 176.4 | -58.9 | -69.6 | 0 | 0 | 0 | 106.9 | K666 T751 I755 | K666-D753 WeakPolarHBondContact CE-OD2 3.45Å; K666-D753 IonicContact NZ-OD1 2.97Å; K666-D753 PolarHBondContact NZ-OD1 3.48Å; K666-D753 IonicContact NZ-OD2 3.94Å; K666-D753 PolarHBondContact NZ-OD2 3.38Å; T751-D753 PolarHBondContact O-N 2.92Å; D753-I755 PolarHBondContact O-N 3.36Å |
| 754 | I | 53 | Low | 67.3 | Low | 151 Ų | 151 | 69.2 Ų | 69.2 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | trans | -69.4 | 81.2 | 170.3 | -56 | 176 | 0 | 0 | 0 | 105.4 | P752 P756 | P752-I754 PolarHBondContact O-N 3.41Å; P752-I754 VanDerWaalsContact O-N 3.13Å; I754-P756 VanDerWaalsContact C-N 3.28Å; I754-P756 WeakPolarHBondContact O-CD 3.23Å | ||
| 755 | I | 45.9 | Very low | 66.6 | Low | 144 Ų | 144 | 70.8 Ų | 70.8 | 74% | 0.738 | 41% | 0.413 | S | S | * | . | trans | -46.1 | 108.3 | 145.1 | -58.3 | 172.9 | 0 | 0 | 0 | 102.1 | D753 A757 | D753-I755 PolarHBondContact O-N 3.36Å; I755-A757 PolarHBondContact O-N 2.84Å | ||
| 756 | P | 36.7 | Very low | 66 | Low | 80 Ų | 80 | 72.8 Ų | 72.8 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | trans | -55.7 | 148.8 | -175.3 | 22.6 | -32.6 | 0 | 0 | 0 | 107.2 | I754 T758 | I754-P756 VanDerWaalsContact C-N 3.28Å; I754-P756 WeakPolarHBondContact O-CD 3.23Å; P756-T758 HydrophobicContact CG-CG2 4.42Å; P756-T758 PolarHBondContact O-N 3.02Å; P756-T758 PolarHBondContact O-OG1 3.08Å | ||
| 757 | A | 39.2 | Very low | 65.7 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 71% | 0.711 | 45% | 0.454 | S | S | * | . | trans | -70 | 59.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | I755 A759 | I755-A757 PolarHBondContact O-N 2.84Å; A757-A759 HydrophobicContact CB-CB 4.14Å; A757-A759 WeakPolarHBondContact O-CB 3.12Å; A757-A759 PolarHBondContact O-N 3.15Å | ||
| 758 | T | 40.5 | Very low | 65.5 | Low | 89 Ų | 89 | 76.4 Ų | 76.4 | 55% | 0.546 | 46% | 0.457 | S | S | . | . | -57.7 | 55.2 | 119.7 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | P756 S760 | P756-T758 HydrophobicContact CG-CG2 4.42Å; P756-T758 PolarHBondContact O-N 3.02Å; P756-T758 PolarHBondContact O-OG1 3.08Å; T758-S760 VanDerWaalsContact CA-CA 3.46Å; T758-S760 VanDerWaalsContact CA-N 3.3Å; T758-S760 PolarHBondContact O-N 3.09Å | |||
| 759 | A | 39.4 | Very low | 65.3 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | S | Bend | -20.6 | 67.9 | 85.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A757 L761 W763 | A757-A759 HydrophobicContact CB-CB 4.14Å; A757-A759 WeakPolarHBondContact O-CB 3.12Å; A757-A759 PolarHBondContact O-N 3.15Å; A759-L761 PolarHBondContact O-N 2.95Å; A759-W763 VanDerWaalsContact C-NE1 3.35Å | |
| 760 | S | 47 | Very low | 65.5 | Low | 39 Ų | 39 | 80.3 Ų | 80.3 | 27% | 0.273 | 49% | 0.487 | S | S | . | . | trans | -55.1 | 131.6 | -150.6 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | T758 A762 W763 V764 | T758-S760 VanDerWaalsContact CA-CA 3.46Å; T758-S760 VanDerWaalsContact CA-N 3.3Å; T758-S760 PolarHBondContact O-N 3.09Å; S760-A762 CarbonylContact O-C 3.59Å; S760-A762 PolarHBondContact O-N 3.37Å; S760-W763 PolarHBondContact O-N 3.33Å; S760-W763 PolarHBondContact OG-N 2.65Å; S760-V764 PolarHBondContact O-N 2.81Å | ||
| 761 | L | 53.6 | Low | 65.8 | Low | 134 Ų | 134 | 83.3 Ų | 83.3 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -15 | 165.9 | -93.5 | 77.3 | 0 | 0 | 0 | 110.2 | A759 A765 | A759-L761 PolarHBondContact O-N 2.95Å; L761-A765 WeakPolarHBondContact O-CA 3.45Å; L761-A765 WeakPolarHBondContact O-CB 3.46Å; L761-A765 PolarHBondContact O-N 3.04Å |
| 762 | A | 62.6 | Low | 66.3 | Low | 74 Ų | 74 | 86 Ų | 86 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S760 A766 | S760-A762 CarbonylContact O-C 3.59Å; S760-A762 PolarHBondContact O-N 3.37Å; A762-A766 WeakPolarHBondContact O-CA 3.28Å; A762-A766 WeakPolarHBondContact O-CB 3Å; A762-A766 PolarHBondContact O-N 2.84Å |
| 763 | W | 76.9 | Confident | 67.2 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.7 | -39.9 | 175.6 | 90.5 | -107.2 | 0 | 0 | 0 | 112.6 | A759 S760 A766 V767 | A759-W763 VanDerWaalsContact C-NE1 3.35Å; S760-W763 PolarHBondContact O-N 3.33Å; S760-W763 PolarHBondContact OG-N 2.65Å; W763-A766 CarbonylContact O-C 3.6Å; W763-A766 PolarHBondContact O-N 2.67Å; W763-V767 HydrophobicContact CE3-CB 4.42Å; W763-V767 HydrophobicContact CE3-CG2 3.74Å; W763-V767 HydrophobicContact CZ3-CG2 3.97Å; W763-V767 WeakPolarHBondContact O-CG2 3.45Å; W763-V767 PolarHBondContact O-N 2.83Å |
| 764 | V | 73.5 | Confident | 68.5 | Low | 50 Ų | 50 | 87.4 Ų | 87.4 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | S760 V767 I768 | S760-V764 PolarHBondContact O-N 2.81Å; V764-V767 PolarHBondContact O-N 2.78Å; V764-I768 HydrophobicContact CG1-CD1 3.96Å; V764-I768 WeakPolarHBondContact O-CB 3.37Å; V764-I768 VanDerWaalsContact O-CG1 3.27Å; V764-I768 WeakPolarHBondContact O-CG1 3.27Å; V764-I768 PolarHBondContact O-N 2.9Å |
| 765 | A | 77.5 | Confident | 70.2 | Confident | 37 Ų | 37 | 85 Ų | 85 | 31% | 0.306 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.7 | -31.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L761 V767 I768 I769 | L761-A765 WeakPolarHBondContact O-CA 3.45Å; L761-A765 WeakPolarHBondContact O-CB 3.46Å; L761-A765 PolarHBondContact O-N 3.04Å; A765-V767 VanDerWaalsContact C-N 3.3Å; A765-V767 PolarHBondContact O-N 3.43Å; A765-I768 PolarHBondContact O-N 2.97Å; A765-I769 HydrophobicContact CB-CD1 4.26Å; A765-I769 WeakPolarHBondContact O-CA 3.22Å; A765-I769 WeakPolarHBondContact O-CB 3.41Å; A765-I769 WeakPolarHBondContact O-CD1 3.49Å; A765-I769 WeakPolarHBondContact O-CG1 3.32Å; A765-I769 PolarHBondContact O-N 3.1Å |
| 766 | A | 78.8 | Confident | 72.2 | Confident | 61 Ų | 61 | 82 Ų | 82 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -32.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A762 W763 G770 | A762-A766 WeakPolarHBondContact O-CA 3.28Å; A762-A766 WeakPolarHBondContact O-CB 3Å; A762-A766 PolarHBondContact O-N 2.84Å; W763-A766 CarbonylContact O-C 3.6Å; W763-A766 PolarHBondContact O-N 2.67Å; A766-G770 WeakPolarHBondContact O-CA 3.31Å; A766-G770 PolarHBondContact O-N 2.81Å |
| 767 | V | 85.4 | Confident | 74.6 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.1 | -42.6 | 171.1 | 168.9 | 0 | 0 | 0 | 0 | 111 | W763 V764 A765 G770 V771 | W763-V767 HydrophobicContact CE3-CB 4.42Å; W763-V767 HydrophobicContact CE3-CG2 3.74Å; W763-V767 HydrophobicContact CZ3-CG2 3.97Å; W763-V767 WeakPolarHBondContact O-CG2 3.45Å; W763-V767 PolarHBondContact O-N 2.83Å; V764-V767 PolarHBondContact O-N 2.78Å; A765-V767 VanDerWaalsContact C-N 3.3Å; A765-V767 PolarHBondContact O-N 3.43Å; V767-G770 PolarHBondContact O-N 3.08Å; V767-V771 HydrophobicContact CG1-CG2 4.46Å; V767-V771 WeakPolarHBondContact O-CB 3.4Å; V767-V771 VanDerWaalsContact O-CG2 3.24Å; V767-V771 WeakPolarHBondContact O-CG2 3.47Å; V767-V771 PolarHBondContact O-N 3.03Å |
| 768 | I | 87.4 | Confident | 76.9 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 176.1 | -69.8 | 166.3 | 0 | 0 | 0 | 111.2 | V764 A765 V771 I772 | V764-I768 HydrophobicContact CG1-CD1 3.96Å; V764-I768 WeakPolarHBondContact O-CB 3.37Å; V764-I768 VanDerWaalsContact O-CG1 3.27Å; V764-I768 WeakPolarHBondContact O-CG1 3.27Å; V764-I768 PolarHBondContact O-N 2.9Å; A765-I768 PolarHBondContact O-N 2.97Å; I768-V771 PolarHBondContact O-N 3.47Å; I768-I772 HydrophobicContact CG2-CD1 3.75Å; I768-I772 HydrophobicContact CG2-CG1 4.46Å; I768-I772 WeakPolarHBondContact O-CB 3.42Å; I768-I772 WeakPolarHBondContact O-CG1 3.28Å; I768-I772 PolarHBondContact O-N 3.03Å |
| 769 | I | 87.3 | Confident | 79 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174 | -68.4 | 164.3 | 0 | 0 | 0 | 109.8 | A765 I772 I773 | A765-I769 HydrophobicContact CB-CD1 4.26Å; A765-I769 WeakPolarHBondContact O-CA 3.22Å; A765-I769 WeakPolarHBondContact O-CB 3.41Å; A765-I769 WeakPolarHBondContact O-CD1 3.49Å; A765-I769 WeakPolarHBondContact O-CG1 3.32Å; A765-I769 PolarHBondContact O-N 3.1Å; I769-I772 PolarHBondContact O-N 3.45Å; I769-I773 HydrophobicContact CG2-CD1 3.65Å; I769-I773 HydrophobicContact CG2-CG1 4.25Å; I769-I773 VanDerWaalsContact O-CB 3.3Å; I769-I773 WeakPolarHBondContact O-CB 3.42Å; I769-I773 VanDerWaalsContact O-CG1 3.22Å; I769-I773 WeakPolarHBondContact O-CG1 3.36Å; I769-I773 PolarHBondContact O-N 3.26Å |
| 770 | G | 90.4 | Very high | 81 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A766 V767 F774 | A766-G770 WeakPolarHBondContact O-CA 3.31Å; A766-G770 PolarHBondContact O-N 2.81Å; V767-G770 PolarHBondContact O-N 3.08Å; G770-F774 WeakPolarHBondContact O-CB 3.04Å; G770-F774 PolarHBondContact O-N 3.16Å |
| 771 | V | 90.7 | Very high | 82.6 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -39 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | V767 I768 F774 I775 | V767-V771 HydrophobicContact CG1-CG2 4.46Å; V767-V771 WeakPolarHBondContact O-CB 3.4Å; V767-V771 VanDerWaalsContact O-CG2 3.24Å; V767-V771 WeakPolarHBondContact O-CG2 3.47Å; V767-V771 PolarHBondContact O-N 3.03Å; I768-V771 PolarHBondContact O-N 3.47Å; V771-F774 PolarHBondContact O-N 3Å; V771-I775 HydrophobicContact CG1-CD1 3.74Å; V771-I775 HydrophobicContact CG1-CG1 4.4Å; V771-I775 WeakPolarHBondContact O-CB 3.38Å; V771-I775 VanDerWaalsContact O-CG1 3.22Å; V771-I775 WeakPolarHBondContact O-CG1 3.44Å; V771-I775 PolarHBondContact O-N 3.4Å |
| 772 | I | 90 | Very high | 83.8 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 48% | 0.482 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 173.9 | -72 | 165.7 | 0 | 0 | 0 | 110.3 | I768 I769 F774 I775 V776 | I768-I772 HydrophobicContact CG2-CD1 3.75Å; I768-I772 HydrophobicContact CG2-CG1 4.46Å; I768-I772 WeakPolarHBondContact O-CB 3.42Å; I768-I772 WeakPolarHBondContact O-CG1 3.28Å; I768-I772 PolarHBondContact O-N 3.03Å; I769-I772 PolarHBondContact O-N 3.45Å; I772-F774 VanDerWaalsContact C-N 3.33Å; I772-I775 PolarHBondContact O-N 2.98Å; I772-V776 HydrophobicContact CG2-CG2 4.39Å; I772-V776 WeakPolarHBondContact O-CB 3.33Å; I772-V776 VanDerWaalsContact O-CG2 3.26Å; I772-V776 WeakPolarHBondContact O-CG2 3.22Å; I772-V776 PolarHBondContact O-N 3.19Å |
| 773 | I | 90.8 | Very high | 84.4 | Confident | 98 Ų | 98 | 82.4 Ų | 82.4 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174 | -70.8 | 169.8 | 0 | 0 | 0 | 109.9 | I769 V776 V777 | I769-I773 HydrophobicContact CG2-CD1 3.65Å; I769-I773 HydrophobicContact CG2-CG1 4.25Å; I769-I773 VanDerWaalsContact O-CB 3.3Å; I769-I773 WeakPolarHBondContact O-CB 3.42Å; I769-I773 VanDerWaalsContact O-CG1 3.22Å; I769-I773 WeakPolarHBondContact O-CG1 3.36Å; I769-I773 PolarHBondContact O-N 3.26Å; I773-V776 CarbonylContact O-C 3.54Å; I773-V776 PolarHBondContact O-N 2.03Å; I773-V777 HydrophobicContact CG2-CG2 4.17Å; I773-V777 VanDerWaalsContact O-CB 3.26Å; I773-V777 WeakPolarHBondContact O-CB 3.3Å; I773-V777 WeakPolarHBondContact O-CG2 3.35Å; I773-V777 PolarHBondContact O-N 3.34Å |
| 774 | F | 91.2 | Very high | 84 | Confident | 131 Ų | 131 | 79.4 Ų | 79.4 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 176.4 | -173.4 | -112.9 | 0 | 0 | 0 | 112.2 | G770 V771 I772 I778 | G770-F774 WeakPolarHBondContact O-CB 3.04Å; G770-F774 PolarHBondContact O-N 3.16Å; V771-F774 PolarHBondContact O-N 3Å; I772-F774 VanDerWaalsContact C-N 3.33Å; F774-I778 HydrophobicContact CD1-CD1 3.79Å; F774-I778 HydrophobicContact CE1-CD1 3.39Å; F774-I778 HydrophobicContact CE1-CG1 4.5Å; F774-I778 HydrophobicContact CE2-CD1 4.18Å; F774-I778 HydrophobicContact CG-CD1 4.35Å; F774-I778 HydrophobicContact CZ-CD1 3.61Å; F774-I778 HydrophobicContact CZ-CG1 4.47Å; F774-I778 VanDerWaalsContact O-CB 3.31Å; F774-I778 WeakPolarHBondContact O-CB 3.36Å; F774-I778 VanDerWaalsContact O-CG1 3.31Å; F774-I778 WeakPolarHBondContact O-CG1 3.01Å; F774-I778 PolarHBondContact O-N 3.23Å |
| 775 | I | 90 | Very high | 83.6 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 173 | -71.1 | 166.5 | 0 | 0 | 0 | 110.9 | V771 I772 I778 A779 | V771-I775 HydrophobicContact CG1-CD1 3.74Å; V771-I775 HydrophobicContact CG1-CG1 4.4Å; V771-I775 WeakPolarHBondContact O-CB 3.38Å; V771-I775 VanDerWaalsContact O-CG1 3.22Å; V771-I775 WeakPolarHBondContact O-CG1 3.44Å; V771-I775 PolarHBondContact O-N 3.4Å; I772-I775 PolarHBondContact O-N 2.98Å; I775-I778 PolarHBondContact O-N 3.29Å; I775-A779 WeakPolarHBondContact O-CB 3.29Å; I775-A779 PolarHBondContact O-N 3.37Å |
| 776 | V | 87.8 | Confident | 82.9 | Confident | 82 Ų | 82 | 82.9 Ų | 82.9 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 175.6 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | I772 I773 S780 | I772-V776 HydrophobicContact CG2-CG2 4.39Å; I772-V776 WeakPolarHBondContact O-CB 3.33Å; I772-V776 VanDerWaalsContact O-CG2 3.26Å; I772-V776 WeakPolarHBondContact O-CG2 3.22Å; I772-V776 PolarHBondContact O-N 3.19Å; I773-V776 CarbonylContact O-C 3.54Å; I773-V776 PolarHBondContact O-N 2.03Å; V776-S780 WeakPolarHBondContact O-CB 3.28Å; V776-S780 PolarHBondContact O-N 2.74Å; V776-S780 PolarHBondContact O-OG 2.98Å |
| 777 | V | 87.6 | Confident | 82 | Confident | 75 Ų | 75 | 87.6 Ų | 87.6 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 172.6 | 167.8 | 0 | 0 | 0 | 0 | 110 | I773 S780 S781 | I773-V777 HydrophobicContact CG2-CG2 4.17Å; I773-V777 VanDerWaalsContact O-CB 3.26Å; I773-V777 WeakPolarHBondContact O-CB 3.3Å; I773-V777 WeakPolarHBondContact O-CG2 3.35Å; I773-V777 PolarHBondContact O-N 3.34Å; V777-S780 CarbonylContact O-C 3.53Å; V777-S780 PolarHBondContact O-N 3.05Å; V777-S781 WeakPolarHBondContact O-CA 3.48Å; V777-S781 WeakPolarHBondContact O-CB 3.41Å; V777-S781 PolarHBondContact O-N 2.94Å; V777-S781 PolarHBondContact O-OG 2.85Å |
| 778 | I | 86.8 | Confident | 80.4 | Confident | 72 Ų | 72 | 89.7 Ų | 89.7 | 37% | 0.369 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 172.6 | -76.4 | 174.1 | 0 | 0 | 0 | 110.9 | F774 I775 S780 S781 I782 | F774-I778 HydrophobicContact CD1-CD1 3.79Å; F774-I778 HydrophobicContact CE1-CD1 3.39Å; F774-I778 HydrophobicContact CE1-CG1 4.5Å; F774-I778 HydrophobicContact CE2-CD1 4.18Å; F774-I778 HydrophobicContact CG-CD1 4.35Å; F774-I778 HydrophobicContact CZ-CD1 3.61Å; F774-I778 HydrophobicContact CZ-CG1 4.47Å; F774-I778 VanDerWaalsContact O-CB 3.31Å; F774-I778 WeakPolarHBondContact O-CB 3.36Å; F774-I778 VanDerWaalsContact O-CG1 3.31Å; F774-I778 WeakPolarHBondContact O-CG1 3.01Å; F774-I778 PolarHBondContact O-N 3.23Å; I775-I778 PolarHBondContact O-N 3.29Å; I778-S780 VanDerWaalsContact C-N 3.35Å; I778-S780 PolarHBondContact O-N 3.16Å; I778-S781 PolarHBondContact O-N 3.23Å; I778-I782 HydrophobicContact CG2-CD1 3.63Å; I778-I782 HydrophobicContact CG2-CG1 4.3Å; I778-I782 VanDerWaalsContact O-CB 3.27Å; I778-I782 WeakPolarHBondContact O-CB 3.36Å; I778-I782 WeakPolarHBondContact O-CG1 3.4Å; I778-I782 PolarHBondContact O-N 2.86Å |
| 779 | A | 84 | Confident | 78.5 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I775 W783 | I775-A779 WeakPolarHBondContact O-CB 3.29Å; I775-A779 PolarHBondContact O-N 3.37Å; A779-W783 WeakPolarHBondContact O-CB 3.37Å; A779-W783 PolarHBondContact O-N 3.21Å |
| 780 | S | 81.4 | Confident | 76.1 | Confident | 50 Ų | 50 | 94 Ų | 94 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | V776 V777 I778 W783 L784 | V776-S780 WeakPolarHBondContact O-CB 3.28Å; V776-S780 PolarHBondContact O-N 2.74Å; V776-S780 PolarHBondContact O-OG 2.98Å; V777-S780 CarbonylContact O-C 3.53Å; V777-S780 PolarHBondContact O-N 3.05Å; I778-S780 VanDerWaalsContact C-N 3.35Å; I778-S780 PolarHBondContact O-N 3.16Å; S780-W783 PolarHBondContact O-N 3.24Å; S780-L784 VanDerWaalsContact O-CB 3.22Å; S780-L784 WeakPolarHBondContact O-CB 3.44Å; S780-L784 WeakPolarHBondContact O-CD1 3.49Å; S780-L784 WeakPolarHBondContact O-CG 3.44Å; S780-L784 PolarHBondContact O-N 2.89Å |
| 781 | S | 80.5 | Confident | 74 | Confident | 60 Ų | 60 | 101.2 Ų | 101.2 | 42% | 0.42 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.4 | -39.7 | 174.8 | -70.7 | 0 | 0 | 0 | 0 | 111.2 | V777 I778 C785 | V777-S781 WeakPolarHBondContact O-CA 3.48Å; V777-S781 WeakPolarHBondContact O-CB 3.41Å; V777-S781 PolarHBondContact O-N 2.94Å; V777-S781 PolarHBondContact O-OG 2.85Å; I778-S781 PolarHBondContact O-N 3.23Å; S781-C785 WeakPolarHBondContact O-CB 3.46Å; S781-C785 PolarHBondContact O-N 2.61Å; S781-C785 PolarHBondContact O-SG 3.42Å |
| 782 | I | 79.5 | Confident | 71.8 | Confident | 100 Ų | 100 | 103.2 Ų | 103.2 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 169.4 | -70.2 | 170.5 | 0 | 0 | 0 | 109 | I778 L784 C785 T786 | I778-I782 HydrophobicContact CG2-CD1 3.63Å; I778-I782 HydrophobicContact CG2-CG1 4.3Å; I778-I782 VanDerWaalsContact O-CB 3.27Å; I778-I782 WeakPolarHBondContact O-CB 3.36Å; I778-I782 WeakPolarHBondContact O-CG1 3.4Å; I778-I782 PolarHBondContact O-N 2.86Å; I782-L784 VanDerWaalsContact C-N 3.35Å; I782-L784 PolarHBondContact O-N 2.82Å; I782-C785 CarbonylContact O-C 3.42Å; I782-C785 PolarHBondContact O-N 3.07Å; I782-T786 HydrophobicContact CG2-CG2 4.13Å; I782-T786 WeakPolarHBondContact O-CB 3.4Å; I782-T786 VanDerWaalsContact O-CG2 3.32Å; I782-T786 WeakPolarHBondContact O-CG2 3.5Å; I782-T786 PolarHBondContact O-N 3.17Å; I782-T786 PolarHBondContact O-OG1 3.07Å |
| 783 | W | 74.6 | Confident | 69.5 | Low | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.572 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -39.1 | 179.2 | -177 | 75 | 0 | 0 | 0 | 112.6 | A779 S780 T786 R787 | A779-W783 WeakPolarHBondContact O-CB 3.37Å; A779-W783 PolarHBondContact O-N 3.21Å; S780-W783 PolarHBondContact O-N 3.24Å; W783-T786 PolarHBondContact O-OG1 3.49Å; W783-R787 WeakPolarHBondContact O-CB 3.21Å; W783-R787 PolarHBondContact O-N 3.21Å |
| 784 | L | 68.4 | Low | 67.7 | Low | 79 Ų | 79 | 109 Ų | 109 | 41% | 0.414 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.5 | -49.1 | 173.3 | -71.5 | 164.8 | 0 | 0 | 0 | 110.9 | S780 I782 T786 R787 D788 | S780-L784 VanDerWaalsContact O-CB 3.22Å; S780-L784 WeakPolarHBondContact O-CB 3.44Å; S780-L784 WeakPolarHBondContact O-CD1 3.49Å; S780-L784 WeakPolarHBondContact O-CG 3.44Å; S780-L784 PolarHBondContact O-N 2.89Å; I782-L784 VanDerWaalsContact C-N 3.35Å; I782-L784 PolarHBondContact O-N 2.82Å; L784-T786 VanDerWaalsContact C-N 3.26Å; L784-T786 PolarHBondContact O-N 3.37Å; L784-R787 PolarHBondContact O-N 2.73Å; L784-D788 WeakPolarHBondContact O-CB 3.4Å; L784-D788 PolarHBondContact O-N 2.73Å |
| 785 | C | 65.5 | Low | 66 | Low | 80 Ų | 80 | 105.6 Ų | 105.6 | 54% | 0.541 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.8 | -9.5 | 179.6 | -64.5 | 0 | 0 | 0 | 0 | 115 | S781 I782 R789 | S781-C785 WeakPolarHBondContact O-CB 3.46Å; S781-C785 PolarHBondContact O-N 2.61Å; S781-C785 PolarHBondContact O-SG 3.42Å; I782-C785 CarbonylContact O-C 3.42Å; I782-C785 PolarHBondContact O-N 3.07Å; C785-R789 VanDerWaalsContact O-CD 3.3Å; C785-R789 WeakPolarHBondContact O-CD 3.46Å; C785-R789 WeakPolarHBondContact O-CG 3.47Å |
| 786 | T | 62.7 | Low | 64.3 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -101.4 | -28.8 | 167.2 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | I782 W783 L784 D788 R789 | I782-T786 HydrophobicContact CG2-CG2 4.13Å; I782-T786 WeakPolarHBondContact O-CB 3.4Å; I782-T786 VanDerWaalsContact O-CG2 3.32Å; I782-T786 WeakPolarHBondContact O-CG2 3.5Å; I782-T786 PolarHBondContact O-N 3.17Å; I782-T786 PolarHBondContact O-OG1 3.07Å; W783-T786 PolarHBondContact O-OG1 3.49Å; L784-T786 VanDerWaalsContact C-N 3.26Å; L784-T786 PolarHBondContact O-N 3.37Å; T786-D788 VanDerWaalsContact C-N 3.32Å; T786-R789 PolarHBondContact O-N 2.96Å |
| 787 | R | 60.4 | Low | 63.1 | Low | 159 Ų | 159 | 104.3 Ų | 104.3 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 168 | 171.7 | 177.9 | 160.4 | 131.1 | 1.4 | 112 | W783 L784 R789 | W783-R787 WeakPolarHBondContact O-CB 3.21Å; W783-R787 PolarHBondContact O-N 3.21Å; L784-R787 PolarHBondContact O-N 2.73Å; R787-R789 PolarHBondContact O-N 3.24Å |
| 788 | D | 51.2 | Low | 61.8 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 64% | 0.642 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 23.6 | 177.7 | -58.6 | -21 | 0 | 0 | 0 | 112.2 | L784 T786 | L784-D788 WeakPolarHBondContact O-CB 3.4Å; L784-D788 PolarHBondContact O-N 2.73Å; T786-D788 VanDerWaalsContact C-N 3.32Å |
| 789 | R | 47 | Very low | 60.3 | Low | 210 Ų | 210 | 107.3 Ų | 107.3 | 79% | 0.792 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -138 | 91 | 169.6 | -74.2 | -177.7 | 176.8 | 179.1 | 0 | 110.7 | C785 T786 R787 | C785-R789 VanDerWaalsContact O-CD 3.3Å; C785-R789 WeakPolarHBondContact O-CD 3.46Å; C785-R789 WeakPolarHBondContact O-CG 3.47Å; T786-R789 PolarHBondContact O-N 2.96Å; R787-R789 PolarHBondContact O-N 3.24Å |
| 790 | G | 37.4 | Very low | 59.3 | Low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | cis | 161.3 | 92.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 791 | E | 46.3 | Very low | 58.4 | Low | 189 Ų | 189 | 113.1 Ų | 113.1 | 88% | 0.883 | 56% | 0.563 | S | S | * | * | trans | -117.4 | 101.5 | 179.8 | -68.9 | -167.2 | 135.1 | 0 | 0 | 111.8 | ||||
| 792 | T | 44.2 | Very low | 57.6 | Low | 114 Ų | 114 | 118 Ų | 118 | 70% | 0.699 | 58% | 0.579 | S | S | * | * | trans | 25.5 | 93.1 | 155.2 | 55 | 0 | 0 | 0 | 0 | 118.4 | M794 | T792-M794 PolarHBondContact O-N 2.89Å; T792-M794 VanDerWaalsContact O-N 3.15Å | ||
| 793 | Y | 41.3 | Very low | 56.8 | Low | 205 Ų | 205 | 116.5 Ų | 116.5 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -76.4 | 97.5 | 167.8 | -169.1 | -115.2 | 0 | 0 | 0 | 111 | V795 | Y793-V795 VanDerWaalsContact C-N 3.26Å; Y793-V795 HydrophobicContact CD1-CG2 3.51Å; Y793-V795 HydrophobicContact CE1-CG2 3.48Å; Y793-V795 VanDerWaalsContact CE1-CG2 3.48Å; Y793-V795 PolarHBondContact O-N 2.73Å | ||
| 794 | M | 54 | Low | 56 | Low | 108 Ų | 108 | 113.7 Ų | 113.7 | 53% | 0.532 | 58% | 0.584 | S | S | . | * | trans | -73.8 | 64.6 | -174.2 | -63 | -63.9 | -130.2 | 0 | 0 | 113.9 | T792 Y796 D797 K798 | T792-M794 PolarHBondContact O-N 2.89Å; T792-M794 VanDerWaalsContact O-N 3.15Å; M794-Y796 PolarHBondContact O-N 3.12Å; M794-D797 WeakPolarHBondContact CE-OD2 3.22Å; M794-K798 PolarHBondContact O-N 2.96Å | ||
| 795 | V | 54.6 | Low | 55.8 | Low | 60 Ų | 60 | 113.9 Ų | 113.9 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57 | -37.8 | 163.4 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | Y793 D797 K798 E799 P806 | Y793-V795 VanDerWaalsContact C-N 3.26Å; Y793-V795 HydrophobicContact CD1-CG2 3.51Å; Y793-V795 HydrophobicContact CE1-CG2 3.48Å; Y793-V795 VanDerWaalsContact CE1-CG2 3.48Å; Y793-V795 PolarHBondContact O-N 2.73Å; V795-D797 VanDerWaalsContact C-N 3.34Å; V795-D797 PolarHBondContact O-N 3.14Å; V795-K798 PolarHBondContact O-N 3.21Å; V795-K798 VanDerWaalsContact O-N 3.11Å; V795-E799 HydrophobicContact CG1-CG 3.7Å; V795-E799 PolarHBondContact O-N 2.84Å; V795-P806 HydrophobicContact CG1-CG 4.46Å |
| 796 | Y | 55 | Low | 55.4 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 28% | 0.278 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.4 | -42.7 | -175.2 | -129.7 | -66.1 | 0 | 0 | 0 | 114.1 | M794 R800 D805 P806 I807 | M794-Y796 PolarHBondContact O-N 3.12Å; Y796-R800 WeakPolarHBondContact O-CB 3.05Å; Y796-R800 PolarHBondContact O-N 3Å; Y796-D805 PolarHBondContact OH-OD1 2.87Å; Y796-P806 HydrophobicContact CE2-CG 4.36Å; Y796-I807 HydrophobicContact CE2-CD1 3.55Å; Y796-I807 HydrophobicContact CE2-CG1 3.75Å; Y796-I807 WeakPolarHBondContact OH-CB 3.34Å; Y796-I807 WeakPolarHBondContact OH-CD1 3.48Å; Y796-I807 WeakPolarHBondContact OH-CG1 3.38Å; Y796-I807 PolarHBondContact OH-N 2.82Å |
| 797 | D | 62.3 | Low | 55.3 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -85.7 | -17.3 | -179.1 | -62.7 | -38.4 | 0 | 0 | 0 | 112.6 | M794 V795 A801 | M794-D797 WeakPolarHBondContact CE-OD2 3.22Å; V795-D797 VanDerWaalsContact C-N 3.34Å; V795-D797 PolarHBondContact O-N 3.14Å; D797-A801 VanDerWaalsContact O-CB 3.28Å; D797-A801 WeakPolarHBondContact O-CB 3.44Å; D797-A801 PolarHBondContact O-N 2.9Å |
| 798 | K | 59.9 | Low | 55.4 | Low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -82.6 | -46.1 | 175.7 | -114.1 | 178.4 | 178 | 179 | 0 | 113 | M794 V795 R800 A801 H802 | M794-K798 PolarHBondContact O-N 2.96Å; V795-K798 PolarHBondContact O-N 3.21Å; V795-K798 VanDerWaalsContact O-N 3.11Å; K798-R800 VanDerWaalsContact C-N 3.34Å; K798-A801 CarbonylContact O-C 3.36Å; K798-A801 WeakPolarHBondContact O-CB 3.03Å; K798-A801 PolarHBondContact O-N 3.01Å; K798-A801 VanDerWaalsContact O-N 3.12Å; K798-H802 PolarHBondContact O-N 3.29Å |
| 799 | E | 55.8 | Low | 55.7 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 30% | 0.304 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -40.5 | 173.1 | -67 | -60.7 | 126.6 | 0 | 0 | 110.5 | V795 A801 H802 G803 N804 P806 | V795-E799 HydrophobicContact CG1-CG 3.7Å; V795-E799 PolarHBondContact O-N 2.84Å; E799-A801 PolarHBondContact O-N 2.89Å; E799-H802 CarbonylContact O-C 3.57Å; E799-H802 WeakPolarHBondContact O-CA 3.3Å; E799-H802 PolarHBondContact O-N 3.33Å; E799-G803 PolarHBondContact O-N 3Å; E799-N804 CarbonylContact C-O 3.18Å; E799-N804 HydrophobicContact CB-CB 4.45Å; E799-N804 PolarHBondContact O-N 3Å; E799-P806 HydrophobicContact CB-CG 4.21Å; E799-P806 HydrophobicContact CG-CG 4.21Å |
| 800 | R | 63 | Low | 56.1 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 57% | 0.574 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.4 | -28.3 | 171.6 | 177.6 | 172 | -79.2 | 145.3 | -2 | 113.3 | Y796 K798 H802 | Y796-R800 WeakPolarHBondContact O-CB 3.05Å; Y796-R800 PolarHBondContact O-N 3Å; K798-R800 VanDerWaalsContact C-N 3.34Å; R800-H802 VanDerWaalsContact C-N 3.3Å |
| 801 | A | 63.8 | Low | 57.1 | Low | 74 Ų | 74 | 115.7 Ų | 115.7 | 61% | 0.612 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -3.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | D797 K798 E799 | D797-A801 VanDerWaalsContact O-CB 3.28Å; D797-A801 WeakPolarHBondContact O-CB 3.44Å; D797-A801 PolarHBondContact O-N 2.9Å; K798-A801 CarbonylContact O-C 3.36Å; K798-A801 WeakPolarHBondContact O-CB 3.03Å; K798-A801 PolarHBondContact O-N 3.01Å; K798-A801 VanDerWaalsContact O-N 3.12Å; E799-A801 PolarHBondContact O-N 2.89Å |
| 802 | H | 63.1 | Low | 57.6 | Low | 163 Ų | 163 | 113.5 Ų | 113.5 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -7.4 | 175.9 | -74.9 | -5.6 | 0 | 0 | 0 | 114.2 | K798 E799 R800 | K798-H802 PolarHBondContact O-N 3.29Å; E799-H802 CarbonylContact O-C 3.57Å; E799-H802 WeakPolarHBondContact O-CA 3.3Å; E799-H802 PolarHBondContact O-N 3.33Å; R800-H802 VanDerWaalsContact C-N 3.3Å |
| 803 | G | 61.3 | Low | 57.9 | Low | 68 Ų | 68 | 117.1 Ų | 117.1 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.7 | 1.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E799 | E799-G803 PolarHBondContact O-N 3Š|
| 804 | N | 59.7 | Low | 58.1 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | trans | -99.1 | 151.7 | 177.1 | -76.8 | -6.8 | 0 | 0 | 0 | 111.7 | E799 | E799-N804 CarbonylContact C-O 3.18Å; E799-N804 HydrophobicContact CB-CB 4.45Å; E799-N804 PolarHBondContact O-N 3Å | ||
| 805 | D | 64 | Low | 57.6 | Low | 82 Ų | 82 | 115.9 Ų | 115.9 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | trans | -120.8 | 96.2 | 174.4 | -163.3 | -10.2 | 0 | 0 | 0 | 111.4 | Y796 I807 Q808 | Y796-D805 PolarHBondContact OH-OD1 2.87Å; D805-I807 VanDerWaalsContact C-N 3.3Å; D805-I807 PolarHBondContact O-N 3.02Å; D805-Q808 PolarHBondContact O-N 2.92Å; D805-Q808 VanDerWaalsContact O-N 3.13Å | ||
| 806 | P | 57.4 | Low | 57.1 | Low | 23 Ų | 23 | 123.3 Ų | 123.3 | 15% | 0.149 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -70.2 | -15.3 | -165.7 | 25.8 | -34.7 | 0 | 0 | 0 | 115.4 | V795 Y796 E799 Q808 E809 L810 | V795-P806 HydrophobicContact CG1-CG 4.46Å; Y796-P806 HydrophobicContact CE2-CG 4.36Å; E799-P806 HydrophobicContact CB-CG 4.21Å; E799-P806 HydrophobicContact CG-CG 4.21Å; P806-Q808 PolarHBondContact O-N 3.33Å; P806-E809 PolarHBondContact O-N 2.69Å; P806-L810 WeakPolarHBondContact O-CB 3.45Å; P806-L810 PolarHBondContact O-N 3.33Å; P806-L810 VanDerWaalsContact O-N 3.15Å |
| 807 | I | 60.1 | Low | 56.8 | Low | 117 Ų | 117 | 128.1 Ų | 128.1 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.4 | -25.3 | 172.6 | -83 | 174.4 | 0 | 0 | 0 | 112.1 | Y796 D805 | Y796-I807 HydrophobicContact CE2-CD1 3.55Å; Y796-I807 HydrophobicContact CE2-CG1 3.75Å; Y796-I807 WeakPolarHBondContact OH-CB 3.34Å; Y796-I807 WeakPolarHBondContact OH-CD1 3.48Å; Y796-I807 WeakPolarHBondContact OH-CG1 3.38Å; Y796-I807 PolarHBondContact OH-N 2.82Å; D805-I807 VanDerWaalsContact C-N 3.3Å; D805-I807 PolarHBondContact O-N 3.02Å |
| 808 | Q | 62.5 | Low | 55.5 | Low | 141 Ų | 141 | 130.6 Ų | 130.6 | 66% | 0.659 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.7 | -38.3 | 177.3 | -169.8 | 163 | -18 | 0 | 0 | 111.6 | D805 P806 | D805-Q808 PolarHBondContact O-N 2.92Å; D805-Q808 VanDerWaalsContact O-N 3.13Å; P806-Q808 PolarHBondContact O-N 3.33Å |
| 809 | E | 57.3 | Low | 54.7 | Low | 139 Ų | 139 | 133.7 Ų | 133.7 | 65% | 0.65 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.1 | -39.4 | -177.9 | -57.6 | -165.1 | 158 | 0 | 0 | 113.3 | P806 K811 E812 | P806-E809 PolarHBondContact O-N 2.69Å; E809-K811 PolarHBondContact O-N 3.31Å; E809-E812 PolarHBondContact O-N 3.18Å |
| 810 | L | 54.7 | Low | 53.9 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -7.6 | 179.9 | -86.4 | 163.2 | 0 | 0 | 0 | 114.4 | P806 | P806-L810 WeakPolarHBondContact O-CB 3.45Å; P806-L810 PolarHBondContact O-N 3.33Å; P806-L810 VanDerWaalsContact O-N 3.15Å |
| 811 | K | 58.9 | Low | 52.5 | Low | 186 Ų | 186 | 144 Ų | 144 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -15.3 | 176.7 | -167.8 | 175.3 | 176.2 | -174.1 | 0 | 113.4 | E809 | E809-K811 PolarHBondContact O-N 3.31Š|
| 812 | E | 56.6 | Low | 51.4 | Low | 143 Ų | 143 | 149.2 Ų | 149.2 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -108.6 | -18.9 | -159.6 | -62 | -160.5 | 156.6 | 0 | 0 | 117.1 | E809 | E809-E812 PolarHBondContact O-N 3.18Š|
| 813 | K | 50.1 | Low | 50.2 | Low | 189 Ų | 189 | 150.4 Ų | 150.4 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -136.8 | 116.8 | -173.5 | -70.2 | -178.5 | -178.1 | 150.9 | 0 | 114.8 | ||||
| 814 | E | 45.9 | Very low | 49.5 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -88.2 | 168.8 | -179.2 | -53.2 | 175.8 | 120.7 | 0 | 0 | 112.4 | ||||
| 815 | T | 43.5 | Very low | 48.9 | Very low | 113 Ų | 113 | 155.5 Ų | 155.5 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | trans | 44.3 | 115.4 | 154.3 | 55.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 816 | F | 45 | Very low | 47.7 | Very low | 216 Ų | 216 | 161.1 Ų | 161.1 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -135.1 | 153.7 | 144.4 | -91.9 | -74.7 | 0 | 0 | 0 | 112.1 | ||||
| 817 | Q | 47.9 | Very low | 46.9 | Very low | 171 Ų | 171 | 167.2 Ų | 167.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -109.9 | 170.6 | -156 | -65.4 | 171.3 | -15.6 | 0 | 0 | 113.3 | ||||
| 818 | T | 36 | Very low | 45.8 | Very low | 137 Ų | 137 | 165.5 Ų | 165.5 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.8 | 179.2 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 819 | F | 42.8 | Very low | 44.8 | Very low | 211 Ų | 211 | 164.8 Ų | 164.8 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 128.3 | 172 | -92.8 | -100.5 | 0 | 0 | 0 | 112.2 | ||
| 820 | Q | 37.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 162.9 Ų | 162.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 154.1 | 163 | -68.8 | 178.1 | -66.2 | 0 | 0 | 110.6 | ||
| 821 | R | 34.4 | Very low | 43.4 | Very low | 250 Ų | 250 | 165.4 Ų | 165.4 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88 | 132.2 | 168.7 | -167.1 | 175.9 | -169.5 | 163.5 | 3.6 | 109.3 | ||
| 822 | Q | 40.5 | Very low | 42.4 | Very low | 182 Ų | 182 | 166 Ų | 166 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 154.2 | 179.6 | -67.5 | 172.7 | -96.6 | 0 | 0 | 112.5 | ||
| 823 | E | 38.3 | Very low | 41.6 | Very low | 189 Ų | 189 | 162.8 Ų | 162.8 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -133.8 | 130.9 | 176.8 | -177.1 | 177 | -109.1 | 0 | 0 | 108.1 | ||||
| 824 | E | 45.2 | Very low | 41.1 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -142.9 | 152.4 | 179.9 | -88.2 | -149.1 | 102.7 | 0 | 0 | 112.8 | ||||
| 825 | P | 48 | Very low | 40.6 | Very low | 97 Ų | 97 | 159.5 Ų | 159.5 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -127.3 | -171.2 | -134 | 25.5 | -0 | 0 | 0 | 0 | 113.5 | ||||
| 826 | R | 38.9 | Very low | 40.4 | Very low | 199 Ų | 199 | 161.6 Ų | 161.6 | 75% | 0.751 | 79% | 0.791 | S | S | * | * | -179.1 | 146.3 | 62.4 | -83 | -174.9 | 177 | -156.3 | -2.8 | 114.6 | |||||
| 827 | I | 41.5 | Very low | 40.1 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 64.9 | 130.4 | 137.2 | -65.3 | 171 | 0 | 0 | 0 | 116.3 | ||||
| 828 | A | 37 | Very low | 39.4 | Very low | 80 Ų | 80 | 152.1 Ų | 152.1 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | cis | -167 | 176.7 | 3.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 829 | T | 40.7 | Very low | 39.5 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -159.2 | -178 | 5.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 830 | S | 41.8 | Very low | 39 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | -173.9 | 156.3 | -2.6 | 37.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 831 | R | 41.5 | Very low | 38.8 | Very low | 204 Ų | 204 | 152.2 Ų | 152.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | cis | -163.5 | 131.2 | -8.3 | -112.4 | -175.7 | -179.5 | -163.1 | 3.5 | 108.1 | ||||
| 832 | Y | 37.6 | Very low | 38.7 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 60.3 | 154.5 | 149.4 | -60.3 | -52.8 | 0 | 0 | 0 | 122 | ||||
| 833 | S | 38.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 144.3 Ų | 144.3 | 53% | 0.531 | 76% | 0.763 | S | S | . | * | cis | 170.2 | 153.7 | -42.6 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 834 | L | 39.2 | Very low | 38.6 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | 66.6 | 154.4 | 151.1 | -67 | 156.7 | 0 | 0 | 0 | 117.7 | ||||
| 835 | N | 37.1 | Very low | 38.4 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | cis | -172.4 | 167.6 | -32.8 | -153.3 | 28.3 | 0 | 0 | 0 | 109.8 | ||||
| 836 | D | 38.4 | Very low | 38.4 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 69.4 | 161.9 | 156.3 | -158.6 | 12.1 | 0 | 0 | 0 | 117.5 | ||||
| 837 | G | 38.4 | Very low | 38.6 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | 109.2 | 78.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116 | V839 | G837-V839 PolarHBondContact O-N 2.72Š| ||
| 838 | S | 33.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -80.2 | 114.4 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 839 | V | 37.5 | Very low | 39.1 | Very low | 141 Ų | 141 | 146 Ų | 146 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 142.8 | 166.4 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | G837 | G837-V839 PolarHBondContact O-N 2.72Š| ||
| 840 | R | 32.5 | Very low | 39.5 | Very low | 216 Ų | 216 | 146.1 Ų | 146.1 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -82.8 | 142.4 | 170.5 | -68.4 | 175.5 | 166.6 | 121.4 | -6.6 | 110.1 | ||||
| 841 | F | 33.2 | Very low | 39.5 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 77% | 0.772 | 79% | 0.793 | S | S | * | * | 178.4 | 151.4 | 104.5 | -103.2 | -75.7 | 0 | 0 | 0 | 111.7 | |||||
| 842 | D | 32.4 | Very low | 39.6 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | 61.5 | 169.8 | 166.2 | -54.2 | -28.6 | 0 | 0 | 0 | 117.9 | ||||
| 843 | S | 36.1 | Very low | 39.7 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -124.1 | 102.7 | -150.8 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 844 | E | 41.6 | Very low | 39.6 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -144.4 | 132 | 163 | -93.3 | 163.1 | -159.9 | 0 | 0 | 106.6 | ||||
| 845 | D | 40.8 | Very low | 39.8 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -167.1 | 117.7 | 159.2 | -112.5 | 2 | 0 | 0 | 0 | 109.6 | ||||
| 846 | D | 47.6 | Very low | 39.9 | Very low | 160 Ų | 160 | 152 Ų | 152 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | 53.5 | 138.3 | 141.9 | -64.4 | -3.2 | 0 | 0 | 0 | 124 | ||||
| 847 | G | 42.3 | Very low | 40 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 160.6 | 42.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 848 | E | 41.4 | Very low | 40.4 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -44.1 | 133.5 | 179 | -57.4 | 178.1 | 139.1 | 0 | 0 | 114.5 | ||||
| 849 | L | 47.6 | Very low | 40.6 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -171.4 | 96 | 143.9 | -106.5 | 162.3 | 0 | 0 | 0 | 113.2 | ||||
| 850 | D | 50.5 | Low | 40.4 | Very low | 129 Ų | 129 | 157.9 Ų | 157.9 | 69% | 0.69 | 82% | 0.815 | S | S | * | * | trans | 44.8 | 99.6 | 137.5 | -55.5 | -5.2 | 0 | 0 | 0 | 121.3 | ||||
| 851 | E | 42.2 | Very low | 40.8 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | 27.8 | 98.5 | 119.2 | -169.1 | 172.4 | -135.7 | 0 | 0 | 118.6 | |||||
| 852 | Y | 43.1 | Very low | 41.1 | Very low | 235 Ų | 235 | 153.1 Ų | 153.1 | 92% | 0.922 | 81% | 0.814 | S | S | * | * | trans | -135.6 | 113.4 | 148.6 | -87.1 | -77.2 | 0 | 0 | 0 | 110.5 | ||||
| 853 | A | 39 | Very low | 41.4 | Very low | 83 Ų | 83 | 154.4 Ų | 154.4 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | trans | -117.4 | 146.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 854 | D | 37.5 | Very low | 41.5 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 59.2 | 148.5 | 167.1 | -70.4 | -24.1 | 0 | 0 | 0 | 120.9 | ||
| 855 | N | 41.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | 71.5 | 87.8 | 170.2 | -52.9 | -65.6 | 0 | 0 | 0 | 117.9 | ||||
| 856 | F | 40 | Very low | 40.9 | Very low | 211 Ų | 211 | 154.3 Ų | 154.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -122 | 108.9 | 141.9 | -92.5 | -88.9 | 0 | 0 | 0 | 109.9 | ||||
| 857 | N | 41 | Very low | 40.6 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | trans | -114.6 | 103.2 | -179.9 | 56.7 | -51.2 | 0 | 0 | 0 | 109.8 | E859 | N857-E859 VanDerWaalsContact C-N 3.29Å; N857-E859 PolarHBondContact O-N 3.11Å | ||
| 858 | E | 46.9 | Very low | 40.3 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -79.1 | 67.9 | -174.5 | -63.5 | -158.8 | 153.5 | 0 | 0 | 113.8 | ||||
| 859 | E | 36.8 | Very low | 40 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -122.7 | 71 | 165.1 | -76.2 | -159.2 | 158.5 | 0 | 0 | 112.7 | N857 | N857-E859 VanDerWaalsContact C-N 3.29Å; N857-E859 PolarHBondContact O-N 3.11Å | ||
| 860 | A | 35.2 | Very low | 39.4 | Very low | 98 Ų | 98 | 155.8 Ų | 155.8 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -175.5 | 144.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 861 | S | 40.2 | Very low | 38.6 | Very low | 103 Ų | 103 | 154.1 Ų | 154.1 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | cis | -175.7 | 144.3 | 37.3 | -159 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 862 | F | 38.6 | Very low | 38.4 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | 39.8 | 113.7 | 146.4 | -86.7 | -103.7 | 0 | 0 | 0 | 122.3 | ||||
| 863 | L | 40.2 | Very low | 37.8 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | 179.8 | 143.6 | 103.6 | -96.1 | 162.2 | 0 | 0 | 0 | 111 | |||||
| 864 | G | 37.9 | Very low | 37.6 | Very low | 77 Ų | 77 | 153.8 Ų | 153.8 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 146.1 | 40.2 | 171 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 865 | Q | 32.9 | Very low | 37.4 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -71.3 | 135.9 | 163.7 | -71.4 | -177.9 | -11.4 | 0 | 0 | 110.2 | ||||
| 866 | Y | 37.2 | Very low | 36.7 | Very low | 210 Ų | 210 | 154.6 Ų | 154.6 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | 163.2 | 145.9 | 128.1 | -82 | -54.9 | 0 | 0 | 0 | 112.2 | |||||
| 867 | S | 40.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 151.4 Ų | 151.4 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | 65.5 | 138 | -176.1 | 78.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 868 | G | 35.9 | Very low | 35.7 | Very low | 77 Ų | 77 | 154.4 Ų | 154.4 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | cis | -157.7 | 136.4 | -9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 869 | N | 34.4 | Very low | 34.9 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | -79.7 | 142.7 | -171.2 | -75.2 | -44.4 | 0 | 0 | 0 | 114.3 | ||||
| 870 | R | 36.7 | Very low | 34.5 | Very low | 245 Ų | 245 | 154.8 Ų | 154.8 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | -169.8 | 105.6 | 117.8 | -103.5 | 165.7 | -170.6 | -164.9 | 2.9 | 114.9 | |||||
| 871 | A | 32.8 | Very low | 34.1 | Very low | 95 Ų | 95 | 158.5 Ų | 158.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | 41 | 118.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 872 | I | 37.1 | Very low | 33.6 | Very low | 174 Ų | 174 | 157.8 Ų | 157.8 | 89% | 0.892 | 84% | 0.838 | S | S | * | * | -150.2 | 147.2 | 115.4 | -101.3 | 156 | 0 | 0 | 0 | 108.3 | |||||
| 873 | S | 32.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -87 | 131.7 | -172.3 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 874 | K | 34.1 | Very low | 32.8 | Very low | 209 Ų | 209 | 151 Ų | 151 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 119.1 | 160 | -84.2 | -172.8 | 174.2 | -178.2 | 0 | 109.1 | ||
| 875 | K | 32.6 | Very low | 32.4 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 124.9 | 168.2 | -169.2 | -179.2 | -176.5 | -175.1 | 0 | 108.5 | ||
| 876 | S | 28 | Very low | 32.1 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 137.3 | 175.2 | 44.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 877 | I | 33 | Very low | 31.9 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 74% | 0.744 | 84% | 0.835 | S | S | * | * | trans | -126.9 | 113.4 | 159.1 | -65.5 | 179.5 | 0 | 0 | 0 | 105.3 | ||||
| 878 | Q | 26.8 | Very low | 31.2 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -70.2 | 130.6 | 159.4 | -72.4 | 179 | -27.9 | 0 | 0 | 107.3 | ||||
| 879 | M | 29.8 | Very low | 31.1 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -122.7 | 135.7 | 156.4 | -122.8 | 172.3 | 175.2 | 0 | 0 | 108.1 | ||||
| 880 | K | 28.7 | Very low | 30.9 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -98.9 | 127.5 | -160.7 | -174.6 | -179.7 | 176.3 | -176.2 | 0 | 109.8 | ||||
| 881 | E | 26.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -60.7 | 142.8 | 173.5 | -171.8 | 165.6 | -143.9 | 0 | 0 | 111.8 | ||||
| 882 | A | 30.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -154.7 | 66.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P884 | A882-P884 WeakPolarHBondContact O-CD 3.46Š| ||
| 883 | S | 26.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 131.9 | 159.9 | -64 | 0 | 0 | 0 | 0 | 110.2 | ||
| 884 | P | 34.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 118.8 | 160.7 | 32.9 | -24.6 | 0 | 0 | 0 | 109.9 | A882 | A882-P884 WeakPolarHBondContact O-CD 3.46Š|
| 885 | E | 30.3 | Very low | 29.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 157.4 | 172.5 | -71.2 | -169.6 | 119.9 | 0 | 0 | 112.9 | ||
| 886 | L | 25.9 | Very low | 29.9 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -14.9 | 125.5 | 155.7 | -153.9 | 76.1 | 0 | 0 | 0 | 116 | ||||
| 887 | S | 31.6 | Very low | 30 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -135.1 | 129.6 | 156.9 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 888 | T | 27.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -102.4 | 164.3 | -177.2 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 889 | I | 33.1 | Very low | 30.4 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 101.5 | 118.5 | 172.9 | -55.2 | 156.4 | 0 | 0 | 0 | 113.1 | ||||
| 890 | G | 29.8 | Very low | 30.5 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 177 | 29.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 891 | I | 26.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -18.6 | 122.9 | 176.9 | -56.8 | 161.7 | 0 | 0 | 0 | 116.3 | ||||
| 892 | F | 32.1 | Very low | 31 | Very low | 208 Ų | 208 | 131.7 Ų | 131.7 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -154.1 | 124.1 | 135 | -106.2 | -70.1 | 0 | 0 | 0 | 111.7 | ||||
| 893 | N | 27.7 | Very low | 31.1 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -90.8 | 136.1 | 176.9 | -81.2 | -23.4 | 0 | 0 | 0 | 111.3 | ||||
| 894 | T | 32.4 | Very low | 31.3 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -142.6 | 99.4 | 149 | -24.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 895 | T | 29.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -77.2 | 145.9 | 174.5 | 48.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 896 | N | 36.2 | Very low | 31.3 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 139.8 | 141.9 | -101.2 | -29.6 | 0 | 0 | 0 | 110.6 | ||||
| 897 | T | 31.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -131.9 | 132.6 | -166.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 898 | A | 35.3 | Very low | 31.7 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -168.7 | 120.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 899 | T | 31.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | 53.8 | 132.5 | 73.5 | 67.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 900 | T | 33.5 | Very low | 32.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | -162.2 | 159.8 | 31.1 | -27.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 901 | T | 33.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 119.7 | 152 | 28.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 902 | T | 30.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -53.5 | 159.7 | 152.9 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 903 | N | 34.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -156.6 | 150.4 | 121.7 | -103.5 | -11.4 | 0 | 0 | 0 | 111.9 | |||||
| 904 | T | 29.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -115.1 | 147.8 | -177.1 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 905 | T | 33.9 | Very low | 32.2 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -157.9 | 135.1 | 153.6 | 20.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 906 | N | 30.9 | Very low | 32 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -82.7 | 155.8 | 171 | -53.1 | -25.7 | 0 | 0 | 0 | 110.3 | ||||
| 907 | T | 35.1 | Very low | 31.7 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | -165.7 | 166.7 | 120.7 | 21.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 908 | S | 32 | Very low | 31.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -106.5 | 178.8 | -166.2 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 909 | D | 35.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 92.4 | 126 | 148.8 | -58.3 | -50.6 | 0 | 0 | 0 | 121.8 | ||||
| 910 | H | 34.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 66.7 | 96.6 | 141.1 | -86.9 | -78.3 | 0 | 0 | 0 | 122.4 | ||||
| 911 | S | 30.5 | Very low | 30.5 | Very low | 84 Ų | 84 | 135 Ų | 135 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | 57.3 | 139.4 | 118.8 | 59.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 912 | D | 30.1 | Very low | 30.1 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 94.2 | 148 | 153.5 | -63.2 | -20.2 | 0 | 0 | 0 | 121.2 | ||||
| 913 | L | 31.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 75.8 | 98.6 | 163 | -67.7 | 159.7 | 0 | 0 | 0 | 120.6 | ||||
| 914 | L | 26.4 | Very low | 29.3 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 4.4 | 112.3 | 124.4 | -74.9 | 154.6 | 0 | 0 | 0 | 117.2 | |||||
| 915 | H | 31 | Very low | 29.1 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | 174.2 | 137.3 | 103.4 | -104.2 | -70.6 | 0 | 0 | 0 | 115.6 | |||||
| 916 | N | 25.8 | Very low | 28.7 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 64.4 | 175.4 | 147.9 | -60.2 | -8.9 | 0 | 0 | 0 | 118.9 | ||||
| 917 | L | 28.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | 72.6 | 127.9 | 177.8 | -57.2 | 170.4 | 0 | 0 | 0 | 114.6 | ||||
| 918 | T | 29.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | cis | -151.5 | 162 | -10.8 | -20.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 919 | T | 25.4 | Very low | 28.6 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -63 | 130.5 | 172.7 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 920 | A | 27.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | trans | -117.3 | 154.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 921 | V | 24.1 | Very low | 28.5 | Very low | 132 Ų | 132 | 112.4 Ų | 112.4 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | trans | -118.2 | 153.5 | -167.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 922 | S | 25 | Very low | 28.6 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | trans | 79.4 | 139.8 | -178.7 | 83.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 923 | T | 24.4 | Very low | 28.6 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | cis | -128.7 | 157 | -1 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 924 | P | 23.5 | Very low | 28.4 | Very low | 108 Ų | 108 | 114 Ų | 114 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | trans | -82.9 | 162 | 169.5 | 34.7 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 925 | N | 25.6 | Very low | 28.5 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | trans | 77.8 | 77.1 | 172.3 | -52.3 | -26 | 0 | 0 | 0 | 117.4 | ||||
| 926 | Q | 25.5 | Very low | 28.2 | Very low | 177 Ų | 177 | 115.4 Ų | 115.4 | 83% | 0.827 | 63% | 0.63 | S | S | * | * | trans | -122.4 | 127.6 | 139.2 | -81.6 | -173.7 | -33.3 | 0 | 0 | 109.1 | ||||
| 927 | P | 28.2 | Very low | 28.2 | Very low | 29 Ų | 29 | 117.2 Ų | 117.2 | 19% | 0.188 | 63% | 0.634 | C | S | . | * | trans | -82.6 | 123.3 | 170.9 | 33.2 | -31.5 | 0 | 0 | 0 | 109.4 | Y259 L319 H929 | Y259-P927 VanDerWaalsContact OH-CB 3.3Å; Y259-P927 WeakPolarHBondContact OH-CB 3.33Å; Y259-P927 WeakPolarHBondContact OH-CG 3.42Å; L319-P927 WeakPolarHBondContact O-CG 3.48Å; P927-H929 PolarHBondContact O-N 3.22Å; P927-H929 VanDerWaalsContact O-N 3.08Å | ||
| 928 | I | 29 | Very low | 27.9 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 42% | 0.421 | 64% | 0.637 | S | S | . | * | trans | -76.4 | 102 | -178 | -51.6 | 172.5 | 0 | 0 | 0 | 109 | N255 | N255-I928 PolarHBondContact ND2-O 2.85Š| ||
| 929 | H | 39.2 | Very low | 27.5 | Very low | 11 Ų | 11 | 115.4 Ų | 115.4 | 5% | 0.051 | 64% | 0.64 | C | S | . | * | trans | -117.5 | 102.5 | -177.9 | -73.1 | -49.5 | 0 | 0 | 0 | 111.6 | F253 N255 Y259 P927 | F253-H929 HydrophobicContact CD1-CB 4.44Å; F253-H929 AromaticContact CD1-CE1 3.5Å; F253-H929 VanDerWaalsContact CD1-CE1 3.5Å; F253-H929 WeakPolarHBondContact CD1-CE1 3.36Å; F253-H929 AromaticContact CD1-CG 3.85Å; F253-H929 AromaticContact CD1-ND1 3.19Å; F253-H929 WeakPolarHBondContact CD1-ND1 3.47Å; F253-H929 AromaticContact CD2-CE1 3.9Å; F253-H929 HydrophobicContact CE1-CB 4.2Å; F253-H929 AromaticContact CE1-CE1 3.82Å; F253-H929 AromaticContact CE1-CG 3.74Å; F253-H929 AromaticContact CE1-ND1 3.56Å; F253-H929 AromaticContact CG-CE1 3.54Å; F253-H929 AromaticContact CG-ND1 3.67Å; N255-H929 PolarHBondContact ND2-ND1 2.92Å; Y259-H929 AromaticContact CE2-CE1 3.83Å; Y259-H929 AromaticContact CE2-NE2 3.4Å; Y259-H929 WeakPolarHBondContact CE2-NE2 3.43Å; Y259-H929 AromaticContact CZ-NE2 3.51Å; Y259-H929 PolarHBondContact OH-NE2 3.21Å; P927-H929 PolarHBondContact O-N 3.22Å; P927-H929 VanDerWaalsContact O-N 3.08Å | ||
| 930 | F | 37.8 | Very low | 27.7 | Very low | 61 Ų | 61 | 120 Ų | 120 | 27% | 0.268 | 67% | 0.667 | S | S | . | * | S | Bend | trans | 68.7 | 149 | 176.5 | -56.1 | -74.3 | 0 | 0 | 0 | 116.5 | F253 I254 T932 | F253-F930 AromaticContact CD1-CE2 3.65Å; F253-F930 HydrophobicContact CD1-CE2 3.65Å; F253-F930 HydrophobicContact CD1-CZ 4.15Å; F253-F930 AromaticContact CE1-CE2 3.81Å; F253-F930 HydrophobicContact CE1-CE2 3.81Å; I254-F930 HydrophobicContact CG2-CE1 4.22Å; F930-T932 PolarHBondContact O-N 2.65Å |
| 931 | I | 30.6 | Very low | 27.7 | Very low | 51 Ų | 51 | 120.9 Ų | 120.9 | 26% | 0.262 | 66% | 0.658 | S | S | . | * | trans | -82.2 | 114.5 | -178.7 | -64.8 | 132.3 | 0 | 0 | 0 | 108.3 | W208 | W208-I931 HydrophobicContact CB-CD1 3.89Å; W208-I931 WeakPolarHBondContact O-CD1 3.44Å | ||
| 932 | T | 31.8 | Very low | 27.9 | Very low | 53 Ų | 53 | 120.3 Ų | 120.3 | 33% | 0.325 | 65% | 0.65 | S | S | . | * | trans | -99.1 | 148.9 | 166.7 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | F930 E934 | F930-T932 PolarHBondContact O-N 2.65Å; T932-E934 PolarHBondContact O-N 3.13Å; T932-E934 VanDerWaalsContact O-N 3.14Å | ||
| 933 | R | 31.1 | Very low | 28 | Very low | 199 Ų | 199 | 120.8 Ų | 120.8 | 75% | 0.751 | 64% | 0.644 | S | S | * | * | trans | -79.8 | 94.5 | 179 | -170.2 | -172.1 | -163.9 | -163.9 | 6.3 | 109.6 | N935 | R933-N935 PolarHBondContact O-N 2.96Š| ||
| 934 | E | 27.2 | Very low | 28.2 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | trans | -63.5 | 132.6 | 160.5 | -71 | -163.7 | 138.9 | 0 | 0 | 109.3 | T932 H936 | T932-E934 PolarHBondContact O-N 3.13Å; T932-E934 VanDerWaalsContact O-N 3.14Å; E934-H936 PolarHBondContact O-N 3.27Å; E934-H936 VanDerWaalsContact O-N 3.09Å | ||
| 935 | N | 27.1 | Very low | 28.5 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 68% | 0.684 | 63% | 0.631 | S | S | * | * | trans | -80.2 | 93.6 | -170.4 | -79 | -33.5 | 0 | 0 | 0 | 111.7 | R933 Q937 | R933-N935 PolarHBondContact O-N 2.96Å; N935-Q937 PolarHBondContact O-N 2.68Å | ||
| 936 | H | 25.4 | Very low | 28.7 | Very low | 196 Ų | 196 | 120.1 Ų | 120.1 | 91% | 0.907 | 62% | 0.624 | S | S | * | * | trans | -74 | 72.3 | 157.4 | -82 | -53.7 | 0 | 0 | 0 | 111.2 | E934 | E934-H936 PolarHBondContact O-N 3.27Å; E934-H936 VanDerWaalsContact O-N 3.09Å | ||
| 937 | Q | 25.2 | Very low | 28.9 | Very low | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 61% | 0.61 | S | S | * | * | trans | -137.8 | 82.8 | 160.6 | -85.9 | -164.5 | -35 | 0 | 0 | 109.5 | N935 | N935-Q937 PolarHBondContact O-N 2.68Š| ||
| 938 | T | 22.5 | Very low | 29 | Very low | 148 Ų | 148 | 122.8 Ų | 122.8 | 91% | 0.908 | 64% | 0.642 | S | S | * | * | trans | -177.9 | 101.9 | 150.8 | 13.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 939 | A | 22 | Very low | 29 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -158.9 | 98.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 940 | V | 28.3 | Very low | 28.1 | Very low | 227 Ų | 227 | 136.6 Ų | 136.6 | 100% | 1.376 | 72% | 0.716 | S | S | * | * | trans | 71.6 | 0 | -164.1 | -168.3 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 940 of 940 residues in 1536.6 ms
(Link to these results)