| 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 | 39.2 | Very low | 67.6 | Low | 243 Ų | 243 | 134.7 Ų | 134.7 | 100% | 1.197 | 72% | 0.718 | S | S | * | * | 0 | 137.8 | 0 | -64.2 | 169.7 | -168.3 | 0 | 0 | 106.8 | |||||
| 2 | A | 46.7 | Very low | 69.2 | Low | 102 Ų | 102 | 137.9 Ų | 137.9 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 137 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 3 | L | 52 | Low | 70.4 | Confident | 159 Ų | 159 | 135.6 Ų | 135.6 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.8 | 173.2 | -74.1 | 162.8 | 0 | 0 | 0 | 109.6 | F5 | L3-F5 PolarHBondContact O-N 3.39Š|
| 4 | P | 56.1 | Low | 71.5 | Confident | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.9 | 175.1 | -19.5 | 32 | 0 | 0 | 0 | 110.2 | D6 | P4-D6 PolarHBondContact O-N 3.38Š|
| 5 | F | 58.4 | Low | 72.6 | Confident | 148 Ų | 148 | 135.7 Ų | 135.7 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | trans | -83.9 | 96.6 | 179.6 | -162.2 | -81.6 | 0 | 0 | 0 | 109 | L3 Q7 E10 | L3-F5 PolarHBondContact O-N 3.39Å; F5-Q7 HydrophobicContact CD1-CG 3.94Å; F5-Q7 HydrophobicContact CE1-CG 4.25Å; F5-Q7 PolarHBondContact O-N 3.14Å; F5-Q7 VanDerWaalsContact O-N 3.17Å; F5-E10 VanDerWaalsContact CE1-OE2 3.23Å; F5-E10 WeakPolarHBondContact CE1-OE2 3.46Å; F5-E10 VanDerWaalsContact CZ-OE1 3.25Å; F5-E10 WeakPolarHBondContact CZ-OE1 3.48Å; F5-E10 WeakPolarHBondContact CZ-OE2 3.41Å | ||
| 6 | D | 74.3 | Confident | 73.5 | Confident | 91 Ų | 91 | 133.5 Ų | 133.5 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | trans | -84.1 | 90 | -177.1 | -162.6 | -19.4 | 0 | 0 | 0 | 111.9 | P4 V8 E9 E10 | P4-D6 PolarHBondContact O-N 3.38Å; D6-V8 PolarHBondContact O-N 3.19Å; D6-V8 VanDerWaalsContact O-N 3.12Å; D6-V8 VanDerWaalsContact OD1-CB 3.31Å; D6-V8 WeakPolarHBondContact OD1-CB 3.31Å; D6-V8 PolarHBondContact OD1-N 2.89Å; D6-E9 HydrophobicContact CB-CB 4.31Å; D6-E9 PolarHBondContact O-N 3.1Å; D6-E9 VanDerWaalsContact O-N 3.1Å; D6-E10 PolarHBondContact O-N 3.4Å | ||
| 7 | Q | 80.1 | Confident | 74.3 | Confident | 134 Ų | 134 | 129.2 Ų | 129.2 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.5 | -21.8 | 177.2 | -65.8 | -175.4 | -29.9 | 0 | 0 | 113.6 | F5 L11 | F5-Q7 HydrophobicContact CD1-CG 3.94Å; F5-Q7 HydrophobicContact CE1-CG 4.25Å; F5-Q7 PolarHBondContact O-N 3.14Å; F5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 WeakPolarHBondContact O-CG 3.45Å; Q7-L11 PolarHBondContact O-N 3.21Å |
| 8 | V | 83.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -35.7 | 178.9 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | D6 R12 | D6-V8 PolarHBondContact O-N 3.19Å; D6-V8 VanDerWaalsContact O-N 3.12Å; D6-V8 VanDerWaalsContact OD1-CB 3.31Å; D6-V8 WeakPolarHBondContact OD1-CB 3.31Å; D6-V8 PolarHBondContact OD1-N 2.89Å; V8-R12 WeakPolarHBondContact O-CB 3.39Å; V8-R12 PolarHBondContact O-N 2.8Å; V8-R12 VanDerWaalsContact O-N 3.12Å |
| 9 | E | 84.3 | Confident | 76 | Confident | 141 Ų | 141 | 125.9 Ų | 125.9 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71 | -43.2 | 178.5 | -167.5 | 163.9 | -144.9 | 0 | 0 | 111.6 | D6 R12 L13 | D6-E9 HydrophobicContact CB-CB 4.31Å; D6-E9 PolarHBondContact O-N 3.1Å; D6-E9 VanDerWaalsContact O-N 3.1Å; E9-R12 PolarHBondContact O-N 3.5Å; E9-L13 WeakPolarHBondContact O-CB 3.48Å; E9-L13 PolarHBondContact O-N 3.22Å |
| 10 | E | 84.3 | Confident | 76.7 | Confident | 110 Ų | 110 | 122.1 Ų | 122.1 | 51% | 0.514 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.5 | -47.3 | 174.8 | -71.5 | -167.7 | 148.4 | 0 | 0 | 112.8 | F5 D6 R12 L13 Y14 | F5-E10 VanDerWaalsContact CE1-OE2 3.23Å; F5-E10 WeakPolarHBondContact CE1-OE2 3.46Å; F5-E10 VanDerWaalsContact CZ-OE1 3.25Å; F5-E10 WeakPolarHBondContact CZ-OE1 3.48Å; F5-E10 WeakPolarHBondContact CZ-OE2 3.41Å; D6-E10 PolarHBondContact O-N 3.4Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 2.89Å; E10-L13 PolarHBondContact O-N 2.99Å; E10-Y14 WeakPolarHBondContact O-CB 3.47Å; E10-Y14 PolarHBondContact O-N 2.88Å |
| 11 | L | 85.1 | Confident | 77.3 | Confident | 124 Ų | 124 | 120.9 Ų | 120.9 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63 | -37.4 | 178.7 | -75 | 171.7 | 0 | 0 | 0 | 112 | Q7 Q15 | Q7-L11 WeakPolarHBondContact O-CB 3.5Å; Q7-L11 WeakPolarHBondContact O-CG 3.45Å; Q7-L11 PolarHBondContact O-N 3.21Å; L11-Q15 WeakPolarHBondContact O-CB 3.43Å; L11-Q15 PolarHBondContact O-N 2.88Å; L11-Q15 VanDerWaalsContact O-N 3.1Å |
| 12 | R | 86.8 | Confident | 79.8 | Confident | 173 Ų | 173 | 110.6 Ų | 110.6 | 65% | 0.653 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.2 | -46.2 | 175.6 | -177.3 | -180 | -178.9 | 178.3 | 1.4 | 111.4 | V8 E9 E10 Q15 Q16 | V8-R12 WeakPolarHBondContact O-CB 3.39Å; V8-R12 PolarHBondContact O-N 2.8Å; V8-R12 VanDerWaalsContact O-N 3.12Å; E9-R12 PolarHBondContact O-N 3.5Å; E10-R12 VanDerWaalsContact C-N 3.29Å; E10-R12 PolarHBondContact O-N 2.89Å; R12-Q15 PolarHBondContact O-N 2.9Å; R12-Q16 WeakPolarHBondContact O-CB 3.29Å; R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.42Å; R12-Q16 PolarHBondContact O-N 3.07Å |
| 13 | L | 85.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -49.6 | 178.5 | -176.5 | 64.3 | 0 | 0 | 0 | 110.7 | E9 E10 Q15 Q16 T17 | E9-L13 WeakPolarHBondContact O-CB 3.48Å; E9-L13 PolarHBondContact O-N 3.22Å; E10-L13 PolarHBondContact O-N 2.99Å; L13-Q15 VanDerWaalsContact C-N 3.35Å; L13-Q15 PolarHBondContact O-N 2.9Å; L13-Q16 WeakPolarHBondContact O-CB 3.48Å; L13-Q16 PolarHBondContact O-N 3.13Å; L13-Q16 VanDerWaalsContact O-N 3.12Å; L13-T17 PolarHBondContact O-N 3.45Å; L13-T17 PolarHBondContact O-OG1 3.16Å |
| 14 | Y | 85.5 | Confident | 83.8 | Confident | 157 Ų | 157 | 103 Ų | 103 | 62% | 0.616 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57 | -45.6 | 177.7 | -179.2 | -96.9 | 0 | 0 | 0 | 112.4 | E10 Q16 T17 L18 | E10-Y14 WeakPolarHBondContact O-CB 3.47Å; E10-Y14 PolarHBondContact O-N 2.88Å; Y14-Q16 VanDerWaalsContact C-N 3.32Å; Y14-Q16 PolarHBondContact O-N 3.19Å; Y14-T17 PolarHBondContact O-N 3.05Å; Y14-L18 HydrophobicContact CE1-CD2 4.2Å; Y14-L18 VanDerWaalsContact O-CB 3.31Å; Y14-L18 WeakPolarHBondContact O-CB 2.84Å; Y14-L18 PolarHBondContact O-N 3Å |
| 15 | Q | 88.5 | Confident | 85.6 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 178.9 | -173.3 | 59.4 | 47.6 | 0 | 0 | 112.8 | L11 R12 L13 L19 | L11-Q15 WeakPolarHBondContact O-CB 3.43Å; L11-Q15 PolarHBondContact O-N 2.88Å; L11-Q15 VanDerWaalsContact O-N 3.1Å; R12-Q15 PolarHBondContact O-N 2.9Å; L13-Q15 VanDerWaalsContact C-N 3.35Å; L13-Q15 PolarHBondContact O-N 2.9Å; Q15-L19 WeakPolarHBondContact O-CB 3.48Å; Q15-L19 PolarHBondContact O-N 3.32Å |
| 16 | Q | 86.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 97 Ų | 97 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.3 | -51.2 | 173.8 | -76.3 | 174.2 | -35.3 | 0 | 0 | 111.1 | R12 L13 Y14 L18 L19 Q20 | R12-Q16 WeakPolarHBondContact O-CB 3.29Å; R12-Q16 VanDerWaalsContact O-CG 3.28Å; R12-Q16 WeakPolarHBondContact O-CG 3.42Å; R12-Q16 PolarHBondContact O-N 3.07Å; L13-Q16 WeakPolarHBondContact O-CB 3.48Å; L13-Q16 PolarHBondContact O-N 3.13Å; L13-Q16 VanDerWaalsContact O-N 3.12Å; Y14-Q16 VanDerWaalsContact C-N 3.32Å; Y14-Q16 PolarHBondContact O-N 3.19Å; Q16-L18 PolarHBondContact O-N 2.95Å; Q16-L19 PolarHBondContact O-N 3.17Å; Q16-Q20 VanDerWaalsContact O-CB 3.28Å; Q16-Q20 WeakPolarHBondContact O-CB 3.35Å; Q16-Q20 PolarHBondContact O-N 2.87Å |
| 17 | T | 86.8 | Confident | 88 | Confident | 60 Ų | 60 | 94.3 Ų | 94.3 | 37% | 0.368 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | L13 Y14 L19 Q20 D21 | L13-T17 PolarHBondContact O-N 3.45Å; L13-T17 PolarHBondContact O-OG1 3.16Å; Y14-T17 PolarHBondContact O-N 3.05Å; T17-L19 PolarHBondContact O-N 3.16Å; T17-Q20 WeakPolarHBondContact O-CB 3.36Å; T17-Q20 PolarHBondContact O-N 3.42Å; T17-Q20 VanDerWaalsContact O-N 3.13Å; T17-D21 WeakPolarHBondContact O-CB 3.48Å; T17-D21 PolarHBondContact O-N 3.47Å |
| 18 | L | 90.2 | Very high | 88.5 | Confident | 89 Ų | 89 | 92.5 Ų | 92.5 | 47% | 0.466 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 179.3 | -178.7 | 65.9 | 0 | 0 | 0 | 113.2 | Y14 Q16 Q20 G22 | Y14-L18 HydrophobicContact CE1-CD2 4.2Å; Y14-L18 VanDerWaalsContact O-CB 3.31Å; Y14-L18 WeakPolarHBondContact O-CB 2.84Å; Y14-L18 PolarHBondContact O-N 3Å; Q16-L18 PolarHBondContact O-N 2.95Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; L18-G22 PolarHBondContact O-N 3.46Å; L18-G22 VanDerWaalsContact O-N 3.15Å |
| 19 | L | 90.3 | Very high | 89 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 56% | 0.56 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 176.3 | 176.2 | 62.8 | 0 | 0 | 0 | 111.1 | Q15 Q16 T17 G22 L23 | Q15-L19 WeakPolarHBondContact O-CB 3.48Å; Q15-L19 PolarHBondContact O-N 3.32Å; Q16-L19 PolarHBondContact O-N 3.17Å; T17-L19 PolarHBondContact O-N 3.16Å; L19-G22 PolarHBondContact O-N 3.19Å; L19-L23 HydrophobicContact CD1-CD1 4.34Å; L19-L23 HydrophobicContact CD1-CG 4.48Å; L19-L23 HydrophobicContact CG-CD1 4.2Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.07Å |
| 20 | Q | 90 | Very high | 89.3 | Confident | 49 Ų | 49 | 89.8 Ų | 89.8 | 23% | 0.229 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.6 | -49.9 | -177.1 | -174.4 | -178 | -11 | 0 | 0 | 111.9 | Q16 T17 L18 G22 L23 K24 Y92 T93 S94 | Q16-Q20 VanDerWaalsContact O-CB 3.28Å; Q16-Q20 WeakPolarHBondContact O-CB 3.35Å; Q16-Q20 PolarHBondContact O-N 2.87Å; T17-Q20 WeakPolarHBondContact O-CB 3.36Å; T17-Q20 PolarHBondContact O-N 3.42Å; T17-Q20 VanDerWaalsContact O-N 3.13Å; L18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-G22 VanDerWaalsContact C-N 3.28Å; Q20-G22 PolarHBondContact O-N 3.16Å; Q20-L23 PolarHBondContact O-N 3.45Å; Q20-L23 VanDerWaalsContact O-N 3.13Å; Q20-K24 PolarHBondContact O-N 3.01Å; Q20-Y92 WeakPolarHBondContact CG-O 3.43Å; Q20-Y92 PolarHBondContact NE2-O 2.92Å; Q20-T93 VanDerWaalsContact NE2-CA 3.34Å; Q20-T93 PolarHBondContact NE2-O 3.11Å; Q20-S94 VanDerWaalsContact NE2-N 3.16Å; Q20-S94 PolarHBondContact NE2-OG 3.06Å |
| 21 | D | 89.8 | Confident | 89.6 | Confident | 98 Ų | 98 | 90.1 Ų | 90.1 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 175.2 | -69.1 | -16.1 | 0 | 0 | 0 | 111 | T17 K24 D25 | T17-D21 WeakPolarHBondContact O-CB 3.48Å; T17-D21 PolarHBondContact O-N 3.47Å; D21-K24 PolarHBondContact O-N 2.85Å; D21-D25 WeakPolarHBondContact O-CB 3.41Å; D21-D25 PolarHBondContact O-N 2.95Å |
| 22 | G | 91.6 | Very high | 89.8 | Confident | 27 Ų | 27 | 92.3 Ų | 92.3 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L18 L19 Q20 M26 | L18-G22 PolarHBondContact O-N 3.46Å; L18-G22 VanDerWaalsContact O-N 3.15Å; L19-G22 PolarHBondContact O-N 3.19Å; Q20-G22 VanDerWaalsContact C-N 3.28Å; Q20-G22 PolarHBondContact O-N 3.16Å; G22-M26 WeakPolarHBondContact O-CB 3.31Å; G22-M26 WeakPolarHBondContact O-CE 3.48Å; G22-M26 WeakPolarHBondContact O-CG 3.38Å; G22-M26 PolarHBondContact O-N 2.72Å; G22-M26 VanDerWaalsContact O-N 3.07Å |
| 23 | L | 91.9 | Very high | 89.9 | Confident | 47 Ų | 47 | 85.2 Ų | 85.2 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 174.5 | -73.1 | 169.2 | 0 | 0 | 0 | 112.1 | L19 Q20 M26 L27 V50 Y92 | L19-L23 HydrophobicContact CD1-CD1 4.34Å; L19-L23 HydrophobicContact CD1-CG 4.48Å; L19-L23 HydrophobicContact CG-CD1 4.2Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.49Å; L19-L23 PolarHBondContact O-N 3.07Å; Q20-L23 PolarHBondContact O-N 3.45Å; Q20-L23 VanDerWaalsContact O-N 3.13Å; L23-M26 HydrophobicContact CD2-CE 4.12Å; L23-L27 PolarHBondContact O-N 3.44Å; L23-L27 VanDerWaalsContact O-N 3.11Å; L23-V50 HydrophobicContact CD1-CG2 4.19Å; L23-V50 HydrophobicContact CD2-CG2 3.93Å; L23-Y92 HydrophobicContact CB-CD1 4.25Å; L23-Y92 HydrophobicContact CB-CE1 4.47Å |
| 24 | K | 91.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 83.4 Ų | 83.4 | 24% | 0.235 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 175.8 | 177.3 | 53 | 176.1 | 149.2 | 0 | 111.8 | Q20 D21 M26 L27 D28 T93 | Q20-K24 PolarHBondContact O-N 3.01Å; D21-K24 PolarHBondContact O-N 2.85Å; K24-M26 VanDerWaalsContact C-N 3.35Å; K24-M26 PolarHBondContact O-N 3.25Å; K24-L27 WeakPolarHBondContact O-CB 3.37Å; K24-L27 PolarHBondContact O-N 3.36Å; K24-D28 WeakPolarHBondContact CE-OD2 3.41Å; K24-D28 IonicContact NZ-OD1 3.77Å; K24-D28 PolarHBondContact NZ-OD1 2.87Å; K24-D28 IonicContact NZ-OD2 2.73Å; K24-D28 PolarHBondContact NZ-OD2 3.48Å; K24-D28 PolarHBondContact O-N 3.47Å; K24-T93 HydrophobicContact CD-CG2 4.14Å; K24-T93 HydrophobicContact CG-CG2 4.4Å |
| 25 | D | 92.4 | Very high | 90.5 | Very high | 85 Ų | 85 | 76 Ų | 76 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.9 | -179.9 | 68.2 | 0 | 0 | 0 | 112.4 | D21 L27 D28 H29 | D21-D25 WeakPolarHBondContact O-CB 3.41Å; D21-D25 PolarHBondContact O-N 2.95Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.13Å; D25-D28 PolarHBondContact O-N 3.11Å; D25-H29 WeakPolarHBondContact O-CB 3.37Å; D25-H29 PolarHBondContact O-N 3.14Å; D25-H29 PolarHBondContact O-ND1 3.3Å; D25-H29 IonicContact OD1-CE1 3.79Å; D25-H29 PolarHBondContact OD1-CE1 3.23Å; D25-H29 IonicContact OD1-ND1 3.33Å; D25-H29 PolarHBondContact OD1-ND1 3.43Å; D25-H29 IonicContact OD2-ND1 3.87Å |
| 26 | M | 92.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 30% | 0.296 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 175.2 | -76.6 | -173.9 | -79.1 | 0 | 0 | 112.8 | G22 L23 K24 S30 K31 F32 | G22-M26 WeakPolarHBondContact O-CB 3.31Å; G22-M26 WeakPolarHBondContact O-CE 3.48Å; G22-M26 WeakPolarHBondContact O-CG 3.38Å; G22-M26 PolarHBondContact O-N 2.72Å; G22-M26 VanDerWaalsContact O-N 3.07Å; L23-M26 HydrophobicContact CD2-CE 4.12Å; K24-M26 VanDerWaalsContact C-N 3.35Å; K24-M26 PolarHBondContact O-N 3.25Å; M26-S30 PolarHBondContact O-N 3.45Å; M26-K31 HydrophobicContact CB-CB 4.26Å; M26-K31 HydrophobicContact CG-CB 4.31Å; M26-K31 PolarHBondContact O-N 3.1Å; M26-F32 HydrophobicContact SD-CD2 3.71Å; M26-F32 HydrophobicContact SD-CE2 4.01Å |
| 27 | L | 91.6 | Very high | 91 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -51.6 | 174 | -177.5 | 75.9 | 0 | 0 | 0 | 110.9 | L23 K24 D25 H29 S30 L33 P45 Y92 | L23-L27 PolarHBondContact O-N 3.44Å; L23-L27 VanDerWaalsContact O-N 3.11Å; K24-L27 WeakPolarHBondContact O-CB 3.37Å; K24-L27 PolarHBondContact O-N 3.36Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.13Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.31Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-L33 HydrophobicContact CD1-CD2 3.95Å; L27-P45 WeakPolarHBondContact CD1-O 3.36Å; L27-Y92 HydrophobicContact CB-CD1 4.08Å; L27-Y92 HydrophobicContact CB-CE1 3.97Å; L27-Y92 HydrophobicContact CD1-CE1 4.15Å; L27-Y92 HydrophobicContact CD1-CE2 4.45Å; L27-Y92 HydrophobicContact CD2-CD1 3.93Å; L27-Y92 HydrophobicContact CD2-CD2 3.99Å; L27-Y92 HydrophobicContact CD2-CE1 4.1Å; L27-Y92 HydrophobicContact CD2-CE2 4.16Å; L27-Y92 HydrophobicContact CD2-CG 3.87Å; L27-Y92 HydrophobicContact CG-CD1 4.49Å; L27-Y92 HydrophobicContact CG-CE1 4.31Å |
| 28 | D | 90.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 65.6 Ų | 65.6 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | -175.3 | -68.3 | -19.5 | 0 | 0 | 0 | 112.2 | K24 D25 S30 | K24-D28 WeakPolarHBondContact CE-OD2 3.41Å; K24-D28 IonicContact NZ-OD1 3.77Å; K24-D28 PolarHBondContact NZ-OD1 2.87Å; K24-D28 IonicContact NZ-OD2 2.73Å; K24-D28 PolarHBondContact NZ-OD2 3.48Å; K24-D28 PolarHBondContact O-N 3.47Å; D25-D28 PolarHBondContact O-N 3.11Å; D28-S30 VanDerWaalsContact C-N 3.3Å; D28-S30 PolarHBondContact O-N 2.7Å |
| 29 | H | 92.4 | Very high | 91.3 | Very high | 112 Ų | 112 | 61.4 Ų | 61.4 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 9.3 | 173.7 | -67 | 103.5 | 0 | 0 | 0 | 114.7 | D25 L27 K31 | D25-H29 WeakPolarHBondContact O-CB 3.37Å; D25-H29 PolarHBondContact O-N 3.14Å; D25-H29 PolarHBondContact O-ND1 3.3Å; D25-H29 IonicContact OD1-CE1 3.79Å; D25-H29 PolarHBondContact OD1-CE1 3.23Å; D25-H29 IonicContact OD1-ND1 3.33Å; D25-H29 PolarHBondContact OD1-ND1 3.43Å; D25-H29 IonicContact OD2-ND1 3.87Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.31Å; H29-K31 VanDerWaalsContact C-N 3.31Å; H29-K31 HydrophobicContact CB-CG 4.1Å; H29-K31 VanDerWaalsContact O-CE 3.28Å; H29-K31 WeakPolarHBondContact O-CE 3.3Å; H29-K31 PolarHBondContact O-N 3.4Å |
| 30 | S | 90.3 | Very high | 91.1 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 40.4 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 114.6 | M26 L27 D28 L33 | M26-S30 PolarHBondContact O-N 3.45Å; L27-S30 PolarHBondContact O-N 3.46Å; D28-S30 VanDerWaalsContact C-N 3.3Å; D28-S30 PolarHBondContact O-N 2.7Å; S30-L33 VanDerWaalsContact CA-CD1 3.49Å |
| 31 | K | 90.8 | Very high | 90.8 | Very high | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | trans | -93.3 | 145.8 | 177.7 | -53.2 | -57 | 173.9 | -172.2 | 0 | 110.4 | M26 H29 L33 H47 | M26-K31 HydrophobicContact CB-CB 4.26Å; M26-K31 HydrophobicContact CG-CB 4.31Å; M26-K31 PolarHBondContact O-N 3.1Å; H29-K31 VanDerWaalsContact C-N 3.31Å; H29-K31 HydrophobicContact CB-CG 4.1Å; H29-K31 VanDerWaalsContact O-CE 3.28Å; H29-K31 WeakPolarHBondContact O-CE 3.3Å; H29-K31 PolarHBondContact O-N 3.4Å; K31-L33 PolarHBondContact O-N 3.37Å; K31-H47 PolarHBondContact O-NE2 3.2Å | ||
| 32 | F | 89.4 | Confident | 90.9 | Very high | 171 Ų | 171 | 63.5 Ų | 63.5 | 75% | 0.75 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 54.1 | 15.6 | 174 | -52.8 | -72.5 | 0 | 0 | 0 | 117.3 | M26 D34 | M26-F32 HydrophobicContact SD-CD2 3.71Å; M26-F32 HydrophobicContact SD-CE2 4.01Å; F32-D34 PolarHBondContact O-N 2.92Å |
| 33 | L | 89.8 | Confident | 91 | Very high | 24 Ų | 24 | 67.5 Ų | 67.5 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | trans | -67 | 111 | -178.6 | -58.4 | 175.2 | 0 | 0 | 0 | 112.9 | L27 S30 K31 P45 R72 | L27-L33 HydrophobicContact CD1-CD2 3.95Å; S30-L33 VanDerWaalsContact CA-CD1 3.49Å; K31-L33 PolarHBondContact O-N 3.37Å; L33-P45 HydrophobicContact CD1-CB 3.6Å; L33-R72 PolarHBondContact O-NH2 2.98Å | ||
| 34 | D | 90.8 | Very high | 91.1 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 37% | 0.374 | 34% | 0.342 | S | S | . | . | trans | -111.2 | 1.5 | -176.7 | 65.6 | -20 | 0 | 0 | 0 | 113.9 | F32 C46 H47 R48 | F32-D34 PolarHBondContact O-N 2.92Å; D34-C46 PolarHBondContact N-O 2.91Å; D34-H47 VanDerWaalsContact OD1-CA 3.26Å; D34-H47 WeakPolarHBondContact OD1-CA 3.38Å; D34-R48 HydrophobicContact CB-CG 4.48Å; D34-R48 WeakPolarHBondContact OD1-CG 3.36Å; D34-R48 PolarHBondContact OD1-N 3.13Å; D34-R48 WeakPolarHBondContact OD2-CB 3.49Å; D34-R48 WeakPolarHBondContact OD2-CD 3.23Å; D34-R48 WeakPolarHBondContact OD2-CG 3.19Å | ||
| 35 | C | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153.7 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | C46 R48 R72 | C35-C46 PolarHBondContact N-O 3.19Å; C35-C46 PolarHBondContact O-N 2.84Å; C35-C46 VanDerWaalsContact O-O 3.08Å; C35-R48 HydrophobicContact CB-CG 3.57Å; C35-R72 CarbonylContact C-O 3.24Å; C35-R72 WeakPolarHBondContact CA-O 3.32Å |
| 36 | V | 93.2 | Very high | 91.3 | Very high | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 117.5 | 167.8 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | K38 E43 F44 R72 E73 V74 | V36-K38 HydrophobicContact CG1-CG 4.37Å; V36-E43 HydrophobicContact CG1-CB 3.93Å; V36-E43 HydrophobicContact CG1-CG 4.5Å; V36-F44 WeakPolarHBondContact CA-O 3.42Å; V36-R72 PolarHBondContact N-O 3.09Å; V36-E73 WeakPolarHBondContact O-CA 3.41Å; V36-V74 PolarHBondContact O-N 2.95Å |
| 37 | L | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.3 | 171.8 | -53.3 | -177.8 | 0 | 0 | 0 | 109.1 | F44 L51 F58 V74 L76 M84 L88 | L37-F44 HydrophobicContact CB-CB 4.31Å; L37-F44 PolarHBondContact N-O 3.07Å; L37-F44 PolarHBondContact O-N 3.1Å; L37-L51 HydrophobicContact CD1-CD1 4.08Å; L37-L51 HydrophobicContact CD2-CD1 4.34Å; L37-L51 HydrophobicContact CG-CD1 4.42Å; L37-F58 HydrophobicContact CD1-CZ 4.23Å; L37-F58 HydrophobicContact CD2-CE1 4.37Å; L37-V74 CarbonylContact C-O 3.45Å; L37-V74 WeakPolarHBondContact CA-O 3.49Å; L37-V74 HydrophobicContact CD2-CB 3.84Å; L37-V74 HydrophobicContact CD2-CG1 4.29Å; L37-V74 HydrophobicContact CD2-CG2 4.41Å; L37-L76 HydrophobicContact CB-CD1 4.32Å; L37-L76 HydrophobicContact CD1-CD1 4.25Å; L37-L76 HydrophobicContact CD2-CD1 4.49Å; L37-M84 HydrophobicContact CD1-CE 3.42Å; L37-M84 VanDerWaalsContact CD1-CE 3.42Å; L37-L88 HydrophobicContact CD1-CD1 4.46Å; L37-L88 HydrophobicContact CD1-CD2 4.28Å |
| 38 | K | 91.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.2 | 177.7 | -58.3 | -160.5 | -178.7 | -166.8 | 0 | 109.5 | V36 E43 E73 V74 S75 L76 | V36-K38 HydrophobicContact CG1-CG 4.37Å; K38-E43 HydrophobicContact CD-CG 4.29Å; K38-E43 WeakPolarHBondContact CE-OE1 3.49Å; K38-E43 HydrophobicContact CG-CG 4.21Å; K38-E43 IonicContact NZ-OE1 2.74Å; K38-E43 PolarHBondContact NZ-OE1 3.42Å; K38-E73 VanDerWaalsContact CE-OE1 3.29Å; K38-E73 WeakPolarHBondContact CE-OE1 3.43Å; K38-E73 WeakPolarHBondContact CE-OE2 3.45Å; K38-E73 IonicContact NZ-OE1 3.59Å; K38-E73 PolarHBondContact NZ-OE1 2.9Å; K38-E73 IonicContact NZ-OE2 2.69Å; K38-E73 PolarHBondContact NZ-OE2 3.41Å; K38-V74 PolarHBondContact N-O 2.95Å; K38-S75 WeakPolarHBondContact O-CA 3.19Å; K38-L76 PolarHBondContact O-N 3.3Å |
| 39 | V | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.5 | -176.7 | -166.5 | 0 | 0 | 0 | 0 | 108.9 | G41 K42 F44 L76 V79 P81 M84 | V39-G41 PolarHBondContact O-N 2.72Å; V39-K42 PolarHBondContact N-O 2.7Å; V39-K42 PolarHBondContact O-N 3.08Å; V39-F44 HydrophobicContact CB-CE2 4.12Å; V39-F44 HydrophobicContact CG2-CD2 3.95Å; V39-F44 HydrophobicContact CG2-CE2 3.94Å; V39-L76 HydrophobicContact CG2-CB 4.3Å; V39-L76 HydrophobicContact CG2-CD1 4.29Å; V39-V79 HydrophobicContact CG1-CB 4.09Å; V39-V79 HydrophobicContact CG1-CG1 4.29Å; V39-V79 VanDerWaalsContact CG1-O 3.3Å; V39-V79 WeakPolarHBondContact CG1-O 3.49Å; V39-P81 HydrophobicContact CB-CB 4.38Å; V39-P81 HydrophobicContact CB-CG 4.43Å; V39-P81 HydrophobicContact CG1-CB 4.3Å; V39-P81 HydrophobicContact CG1-CG 4.07Å; V39-M84 HydrophobicContact CG2-CB 4.26Å; V39-M84 HydrophobicContact CG2-CG 4.06Å |
| 40 | K | 86.5 | Confident | 91.4 | Very high | 134 Ų | 134 | 59.3 Ų | 59.3 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 39.6 | -179.5 | -59.5 | 178.1 | -177.6 | 159.5 | 0 | 114.4 | E77 V79 P81 | K40-E77 WeakPolarHBondContact CE-O 3.41Å; K40-V79 WeakPolarHBondContact CD-O 3.45Å; K40-V79 WeakPolarHBondContact CE-O 3.29Å; K40-V79 PolarHBondContact NZ-O 2.68Å; K40-V79 VanDerWaalsContact NZ-O 3.1Å; K40-P81 HydrophobicContact CB-CG 4.03Å |
| 41 | G | 82.1 | Confident | 91.5 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 80% | 0.804 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | V39 | V39-G41 PolarHBondContact O-N 2.72Š|
| 42 | K | 92.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132 | 171.2 | -165.6 | 173.7 | 177.4 | -170 | 0 | 109.4 | V39 F44 P81 D82 | V39-K42 PolarHBondContact N-O 2.7Å; V39-K42 PolarHBondContact O-N 3.08Å; K42-F44 HydrophobicContact CB-CE2 4.01Å; K42-F44 HydrophobicContact CB-CZ 4.43Å; K42-F44 HydrophobicContact CD-CE1 4.4Å; K42-F44 HydrophobicContact CD-CE2 3.98Å; K42-F44 HydrophobicContact CD-CZ 3.54Å; K42-F44 HydrophobicContact CG-CE2 3.81Å; K42-F44 HydrophobicContact CG-CZ 3.79Å; K42-P81 HydrophobicContact CB-CB 4.02Å; K42-P81 HydrophobicContact CD-CB 3.62Å; K42-P81 HydrophobicContact CG-CB 4.45Å; K42-D82 IonicContact NZ-OD1 2.88Å; K42-D82 PolarHBondContact NZ-OD1 3.3Å |
| 43 | E | 93.6 | Very high | 91.8 | Very high | 111 Ų | 111 | 46.5 Ų | 46.5 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.3 | -178 | -57.8 | -165.3 | 158.3 | 0 | 0 | 111.3 | V36 K38 | V36-E43 HydrophobicContact CG1-CB 3.93Å; V36-E43 HydrophobicContact CG1-CG 4.5Å; K38-E43 HydrophobicContact CD-CG 4.29Å; K38-E43 WeakPolarHBondContact CE-OE1 3.49Å; K38-E43 HydrophobicContact CG-CG 4.21Å; K38-E43 IonicContact NZ-OE1 2.74Å; K38-E43 PolarHBondContact NZ-OE1 3.42Å |
| 44 | F | 94.1 | Very high | 91.9 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 94.6 | 178.9 | -62.9 | -88.2 | 0 | 0 | 0 | 110.4 | V36 L37 V39 K42 P81 L88 | V36-F44 WeakPolarHBondContact CA-O 3.42Å; L37-F44 HydrophobicContact CB-CB 4.31Å; L37-F44 PolarHBondContact N-O 3.07Å; L37-F44 PolarHBondContact O-N 3.1Å; V39-F44 HydrophobicContact CB-CE2 4.12Å; V39-F44 HydrophobicContact CG2-CD2 3.95Å; V39-F44 HydrophobicContact CG2-CE2 3.94Å; K42-F44 HydrophobicContact CB-CE2 4.01Å; K42-F44 HydrophobicContact CB-CZ 4.43Å; K42-F44 HydrophobicContact CD-CE1 4.4Å; K42-F44 HydrophobicContact CD-CE2 3.98Å; K42-F44 HydrophobicContact CD-CZ 3.54Å; K42-F44 HydrophobicContact CG-CE2 3.81Å; K42-F44 HydrophobicContact CG-CZ 3.79Å; F44-P81 HydrophobicContact CE2-CB 4.41Å; F44-P81 HydrophobicContact CZ-CB 4.45Å; F44-P81 WeakPolarHBondContact CZ-O 3.31Å; F44-L88 HydrophobicContact CB-CD1 3.5Å; F44-L88 VanDerWaalsContact CB-CD1 3.5Å; F44-L88 HydrophobicContact CD1-CD1 3.64Å; F44-L88 HydrophobicContact CD2-CD1 4.45Å; F44-L88 HydrophobicContact CE1-CD1 4.46Å; F44-L88 HydrophobicContact CG-CD1 3.62Å |
| 45 | P | 93.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 138 | 172.7 | -15.6 | 29.9 | 0 | 0 | 0 | 110.6 | L27 L33 | L27-P45 WeakPolarHBondContact CD1-O 3.36Å; L33-P45 HydrophobicContact CD1-CB 3.6Å |
| 46 | C | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 172.2 | -174.1 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | D34 C35 L51 | D34-C46 PolarHBondContact N-O 2.91Å; C35-C46 PolarHBondContact N-O 3.19Å; C35-C46 PolarHBondContact O-N 2.84Å; C35-C46 VanDerWaalsContact O-O 3.08Å; C46-L51 HydrophobicContact CB-CD1 4.42Å |
| 47 | H | 93.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | trans | -97.8 | 126 | 176.5 | -51.1 | 93.6 | 0 | 0 | 0 | 111.8 | K31 D34 L49 V50 L51 Y92 | K31-H47 PolarHBondContact O-NE2 3.2Å; D34-H47 VanDerWaalsContact OD1-CA 3.26Å; D34-H47 WeakPolarHBondContact OD1-CA 3.38Å; H47-L49 VanDerWaalsContact C-N 3.3Å; H47-L49 PolarHBondContact O-N 3.43Å; H47-V50 HydrophobicContact CB-CB 4.18Å; H47-V50 HydrophobicContact CB-CG2 3.8Å; H47-V50 PolarHBondContact O-N 2.69Å; H47-L51 PolarHBondContact O-N 2.89Å; H47-Y92 PolarHBondContact N-OH 3.47Å; H47-Y92 VanDerWaalsContact N-OH 3.09Å; H47-Y92 AromaticContact ND1-CE1 3.45Å; H47-Y92 WeakPolarHBondContact ND1-CE1 3.24Å; H47-Y92 AromaticContact ND1-CZ 3.6Å; H47-Y92 PolarHBondContact ND1-OH 2.98Å | ||
| 48 | R | 92 | Very high | 92.3 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 177.8 | -64.1 | 178.6 | 68.5 | 162.5 | -0.4 | 112.2 | D34 C35 V50 L51 A52 F62 S69 | D34-R48 HydrophobicContact CB-CG 4.48Å; D34-R48 WeakPolarHBondContact OD1-CG 3.36Å; D34-R48 PolarHBondContact OD1-N 3.13Å; D34-R48 WeakPolarHBondContact OD2-CB 3.49Å; D34-R48 WeakPolarHBondContact OD2-CD 3.23Å; D34-R48 WeakPolarHBondContact OD2-CG 3.19Å; C35-R48 HydrophobicContact CB-CG 3.57Å; R48-V50 PolarHBondContact O-N 2.66Å; R48-L51 PolarHBondContact O-N 3.06Å; R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.47Å; R48-F62 HydrophobicContact CB-CD2 3.93Å; R48-F62 HydrophobicContact CB-CE2 3.79Å; R48-F62 HydrophobicContact CB-CG 4.48Å; R48-F62 HydrophobicContact CB-CZ 4.19Å; R48-F62 HydrophobicContact CG-CD1 4.5Å; R48-F62 HydrophobicContact CG-CD2 4.36Å; R48-F62 HydrophobicContact CG-CE1 4.11Å; R48-F62 HydrophobicContact CG-CE2 4Å; R48-F62 HydrophobicContact CG-CZ 3.87Å; R48-F62 PolarHBondContact NH2-O 3.12Å; R48-S69 VanDerWaalsContact CZ-O 3.26Å; R48-S69 PolarHBondContact NH1-O 3.42Å; R48-S69 PolarHBondContact NH2-O 3.39Å |
| 49 | L | 91.4 | Very high | 92.4 | Very high | 142 Ų | 142 | 53.3 Ų | 53.3 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | -179.6 | -175.9 | 66.6 | 0 | 0 | 0 | 111.8 | H47 A52 A53 | H47-L49 VanDerWaalsContact C-N 3.3Å; H47-L49 PolarHBondContact O-N 3.43Å; L49-A52 PolarHBondContact O-N 3.09Å; L49-A53 WeakPolarHBondContact O-CB 3.25Å; L49-A53 PolarHBondContact O-N 3.48Å |
| 50 | V | 93.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -47.1 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | L23 H47 R48 A52 A53 C54 I91 Y92 | L23-V50 HydrophobicContact CD1-CG2 4.19Å; L23-V50 HydrophobicContact CD2-CG2 3.93Å; H47-V50 HydrophobicContact CB-CB 4.18Å; H47-V50 HydrophobicContact CB-CG2 3.8Å; H47-V50 PolarHBondContact O-N 2.69Å; R48-V50 PolarHBondContact O-N 2.66Å; V50-A52 PolarHBondContact O-N 3.37Å; V50-A53 PolarHBondContact O-N 3.16Å; V50-C54 PolarHBondContact O-N 3.24Å; V50-C54 VanDerWaalsContact O-N 3.08Å; V50-C54 PolarHBondContact O-SG 3.01Å; V50-I91 HydrophobicContact CG1-CG2 3.53Å; V50-Y92 HydrophobicContact CG1-CE1 4.25Å; V50-Y92 HydrophobicContact CG1-CE2 4.1Å; V50-Y92 HydrophobicContact CG2-CE1 4.32Å |
| 51 | L | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.7 | -72 | 180 | 0 | 0 | 0 | 112.3 | L37 C46 H47 R48 A53 C54 S55 F58 F62 L88 I91 | L37-L51 HydrophobicContact CD1-CD1 4.08Å; L37-L51 HydrophobicContact CD2-CD1 4.34Å; L37-L51 HydrophobicContact CG-CD1 4.42Å; C46-L51 HydrophobicContact CB-CD1 4.42Å; H47-L51 PolarHBondContact O-N 2.89Å; R48-L51 PolarHBondContact O-N 3.06Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.27Å; L51-C54 PolarHBondContact O-N 3.31Å; L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 3.27Å; L51-F58 HydrophobicContact CB-CB 4.04Å; L51-F58 HydrophobicContact CB-CD2 4.14Å; L51-F58 HydrophobicContact CB-CG 4.18Å; L51-F58 HydrophobicContact CD2-CD2 4.11Å; L51-F58 HydrophobicContact CD2-CE2 4.24Å; L51-F62 HydrophobicContact CB-CE2 3.97Å; L51-F62 HydrophobicContact CD1-CE2 4.26Å; L51-F62 HydrophobicContact CD1-CZ 4.22Å; L51-L88 HydrophobicContact CD2-CD2 3.86Å; L51-I91 HydrophobicContact CD2-CD1 4.02Å |
| 52 | A | 93 | Very high | 92.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.9 | -27.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R48 L49 V50 R59 F62 | R48-A52 VanDerWaalsContact O-CB 3.26Å; R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.47Å; L49-A52 PolarHBondContact O-N 3.09Å; V50-A52 PolarHBondContact O-N 3.37Å; A52-R59 HydrophobicContact CB-CB 4.02Å; A52-R59 HydrophobicContact CB-CG 4.27Å; A52-R59 WeakPolarHBondContact O-CB 3.41Å; A52-F62 HydrophobicContact CB-CD2 4.31Å |
| 53 | A | 92.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 51.4 Ų | 51.4 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73.1 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 V50 L51 | L49-A53 WeakPolarHBondContact O-CB 3.25Å; L49-A53 PolarHBondContact O-N 3.48Å; V50-A53 PolarHBondContact O-N 3.16Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.27Å |
| 54 | C | 92.4 | Very high | 92.2 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 32% | 0.324 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -89.4 | -18.9 | -175.7 | -61.8 | 0 | 0 | 0 | 0 | 114.7 | V50 L51 I91 | V50-C54 PolarHBondContact O-N 3.24Å; V50-C54 VanDerWaalsContact O-N 3.08Å; V50-C54 PolarHBondContact O-SG 3.01Å; L51-C54 PolarHBondContact O-N 3.31Å; C54-I91 HydrophobicContact CB-CG1 4.3Å; C54-I91 HydrophobicContact CB-CG2 4.4Å |
| 55 | S | 95.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | trans | -134.2 | 116.6 | -175.6 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | L51 Y57 F58 R59 F113 | L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 3.27Å; S55-Y57 PolarHBondContact O-N 3.3Å; S55-Y57 PolarHBondContact OG-N 3.16Å; S55-F58 PolarHBondContact O-N 3.48Å; S55-F58 WeakPolarHBondContact OG-CD2 3.41Å; S55-F58 PolarHBondContact OG-N 3.14Å; S55-R59 WeakPolarHBondContact O-CB 3.47Å; S55-R59 PolarHBondContact O-N 3.27Å; S55-F113 WeakPolarHBondContact CB-O 3.3Å; S55-F113 PolarHBondContact OG-O 3.22Å | ||
| 56 | P | 94.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 54 Ų | 54 | 25% | 0.253 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -29.9 | 170.6 | -21.1 | 34.1 | 0 | 0 | 0 | 113 | R59 A60 Q114 | P56-R59 PolarHBondContact O-N 3.43Å; P56-A60 WeakPolarHBondContact O-CB 3.42Å; P56-A60 PolarHBondContact O-N 3.48Å; P56-Q114 WeakPolarHBondContact CD-O 3.36Å; P56-Q114 HydrophobicContact CG-CB 4.46Å |
| 57 | Y | 93.3 | Very high | 89.4 | Confident | 77 Ų | 77 | 59.5 Ų | 59.5 | 30% | 0.302 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -56.5 | 172.9 | 172.5 | -90.2 | 0 | 0 | 0 | 111.2 | S55 R59 A60 M61 F113 | S55-Y57 PolarHBondContact O-N 3.3Å; S55-Y57 PolarHBondContact OG-N 3.16Å; Y57-R59 VanDerWaalsContact C-N 3.26Å; Y57-R59 PolarHBondContact O-N 3.27Å; Y57-A60 PolarHBondContact O-N 2.89Å; Y57-M61 HydrophobicContact CE1-SD 4.22Å; Y57-M61 WeakPolarHBondContact O-CB 3.23Å; Y57-M61 PolarHBondContact O-N 2.9Å; Y57-F113 AromaticContact CD1-CD1 3.59Å; Y57-F113 HydrophobicContact CD1-CD1 3.59Å; Y57-F113 HydrophobicContact CD1-CE1 4.31Å; Y57-F113 HydrophobicContact CD1-CG 4.44Å; Y57-F113 AromaticContact CE1-CD1 3.62Å; Y57-F113 HydrophobicContact CE1-CD1 3.62Å; Y57-F113 AromaticContact CE1-CE1 3.87Å; Y57-F113 HydrophobicContact CE1-CE1 3.87Å; Y57-F113 HydrophobicContact CG-CD1 4.21Å |
| 58 | F | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 178.9 | -71.7 | -55.9 | 0 | 0 | 0 | 111.6 | L37 L51 S55 M61 F62 L76 M84 F113 | L37-F58 HydrophobicContact CD1-CZ 4.23Å; L37-F58 HydrophobicContact CD2-CE1 4.37Å; L51-F58 HydrophobicContact CB-CB 4.04Å; L51-F58 HydrophobicContact CB-CD2 4.14Å; L51-F58 HydrophobicContact CB-CG 4.18Å; L51-F58 HydrophobicContact CD2-CD2 4.11Å; L51-F58 HydrophobicContact CD2-CE2 4.24Å; S55-F58 PolarHBondContact O-N 3.48Å; S55-F58 WeakPolarHBondContact OG-CD2 3.41Å; S55-F58 PolarHBondContact OG-N 3.14Å; F58-M61 HydrophobicContact CD1-CE 3.73Å; F58-M61 HydrophobicContact CD1-SD 4.36Å; F58-M61 HydrophobicContact CE1-CE 4.25Å; F58-M61 PolarHBondContact O-N 3.43Å; F58-F62 HydrophobicContact CB-CD2 4.28Å; F58-F62 HydrophobicContact CB-CE2 3.98Å; F58-F62 VanDerWaalsContact O-CB 3.31Å; F58-F62 WeakPolarHBondContact O-CB 3.18Å; F58-F62 WeakPolarHBondContact O-CD2 3.41Å; F58-F62 VanDerWaalsContact O-CG 3.22Å; F58-F62 WeakPolarHBondContact O-CG 3.43Å; F58-F62 PolarHBondContact O-N 3.24Å; F58-L76 HydrophobicContact CZ-CD1 4.47Å; F58-M84 HydrophobicContact CE2-CE 4.2Å; F58-M84 HydrophobicContact CZ-CE 4.01Å; F58-F113 HydrophobicContact CE2-CB 4.09Å; F58-F113 HydrophobicContact CE2-CD1 4.35Å; F58-F113 HydrophobicContact CE2-CD2 4.26Å; F58-F113 AromaticContact CE2-CG 3.99Å; F58-F113 HydrophobicContact CE2-CG 3.99Å; F58-F113 AromaticContact CZ-CD1 3.99Å; F58-F113 HydrophobicContact CZ-CD1 3.99Å; F58-F113 HydrophobicContact CZ-CD2 4.19Å; F58-F113 HydrophobicContact CZ-CE1 4.21Å; F58-F113 HydrophobicContact CZ-CE2 4.39Å; F58-F113 AromaticContact CZ-CG 3.99Å; F58-F113 HydrophobicContact CZ-CG 3.99Å; F58-F113 HydrophobicContact CZ-CZ 4.41Å |
| 59 | R | 93.1 | Very high | 87.3 | Confident | 130 Ų | 130 | 61.8 Ų | 61.8 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 172.3 | -170.6 | 172.8 | 63.8 | -170.2 | -0.5 | 112.4 | A52 S55 P56 Y57 L63 | A52-R59 HydrophobicContact CB-CB 4.02Å; A52-R59 HydrophobicContact CB-CG 4.27Å; A52-R59 WeakPolarHBondContact O-CB 3.41Å; S55-R59 WeakPolarHBondContact O-CB 3.47Å; S55-R59 PolarHBondContact O-N 3.27Å; P56-R59 PolarHBondContact O-N 3.43Å; Y57-R59 VanDerWaalsContact C-N 3.26Å; Y57-R59 PolarHBondContact O-N 3.27Å; R59-L63 HydrophobicContact CG-CD1 3.84Å; R59-L63 WeakPolarHBondContact O-CB 3.32Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.18Å; R59-L63 PolarHBondContact O-N 2.81Å |
| 60 | A | 91.7 | Very high | 86.5 | Confident | 64 Ų | 64 | 61 Ų | 61 | 53% | 0.529 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P56 Y57 L63 S64 | P56-A60 WeakPolarHBondContact O-CB 3.42Å; P56-A60 PolarHBondContact O-N 3.48Å; Y57-A60 PolarHBondContact O-N 2.89Å; A60-L63 PolarHBondContact O-N 3.03Å; A60-S64 PolarHBondContact O-N 3.49Å; A60-S64 VanDerWaalsContact O-N 3.1Å |
| 61 | M | 89.9 | Confident | 86 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 17% | 0.172 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 176.6 | -171.3 | -174.7 | 79.5 | 0 | 0 | 111.6 | Y57 F58 S64 S69 V74 | Y57-M61 HydrophobicContact CE1-SD 4.22Å; Y57-M61 WeakPolarHBondContact O-CB 3.23Å; Y57-M61 PolarHBondContact O-N 2.9Å; F58-M61 HydrophobicContact CD1-CE 3.73Å; F58-M61 HydrophobicContact CD1-SD 4.36Å; F58-M61 HydrophobicContact CE1-CE 4.25Å; F58-M61 PolarHBondContact O-N 3.43Å; M61-S64 PolarHBondContact O-N 2.84Å; M61-S64 PolarHBondContact O-OG 3.24Å; M61-S69 WeakPolarHBondContact O-CB 3.18Å; M61-V74 HydrophobicContact CE-CB 4.46Å; M61-V74 HydrophobicContact CE-CG1 3.86Å; M61-V74 HydrophobicContact CE-CG2 3.84Å; M61-V74 HydrophobicContact SD-CG1 4.01Å |
| 62 | F | 90.2 | Very high | 85.5 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 10% | 0.096 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74 | -23.1 | -177.7 | -66.8 | -34.8 | 0 | 0 | 0 | 114.8 | R48 L51 A52 F58 V74 | R48-F62 HydrophobicContact CB-CD2 3.93Å; R48-F62 HydrophobicContact CB-CE2 3.79Å; R48-F62 HydrophobicContact CB-CG 4.48Å; R48-F62 HydrophobicContact CB-CZ 4.19Å; R48-F62 HydrophobicContact CG-CD1 4.5Å; R48-F62 HydrophobicContact CG-CD2 4.36Å; R48-F62 HydrophobicContact CG-CE1 4.11Å; R48-F62 HydrophobicContact CG-CE2 4Å; R48-F62 HydrophobicContact CG-CZ 3.87Å; R48-F62 PolarHBondContact NH2-O 3.12Å; L51-F62 HydrophobicContact CB-CE2 3.97Å; L51-F62 HydrophobicContact CD1-CE2 4.26Å; L51-F62 HydrophobicContact CD1-CZ 4.22Å; A52-F62 HydrophobicContact CB-CD2 4.31Å; F58-F62 HydrophobicContact CB-CD2 4.28Å; F58-F62 HydrophobicContact CB-CE2 3.98Å; F58-F62 VanDerWaalsContact O-CB 3.31Å; F58-F62 WeakPolarHBondContact O-CB 3.18Å; F58-F62 WeakPolarHBondContact O-CD2 3.41Å; F58-F62 VanDerWaalsContact O-CG 3.22Å; F58-F62 WeakPolarHBondContact O-CG 3.43Å; F58-F62 PolarHBondContact O-N 3.24Å; F62-V74 HydrophobicContact CE1-CG2 4.33Å |
| 63 | L | 87.8 | Confident | 85.3 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 72% | 0.723 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -92.6 | -0.1 | 174.4 | -65 | 176.3 | 0 | 0 | 0 | 113.4 | R59 A60 | R59-L63 HydrophobicContact CG-CD1 3.84Å; R59-L63 WeakPolarHBondContact O-CB 3.32Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.18Å; R59-L63 PolarHBondContact O-N 2.81Å; A60-L63 PolarHBondContact O-N 3.03Å |
| 64 | S | 84.8 | Confident | 85.1 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -76.9 | 146.7 | 174.3 | 73.9 | 0 | 0 | 0 | 0 | 111.7 | A60 M61 T66 S69 | A60-S64 PolarHBondContact O-N 3.49Å; A60-S64 VanDerWaalsContact O-N 3.1Å; M61-S64 PolarHBondContact O-N 2.84Å; M61-S64 PolarHBondContact O-OG 3.24Å; S64-T66 PolarHBondContact O-N 2.77Å; S64-T66 VanDerWaalsContact O-N 3.12Å; S64-T66 PolarHBondContact OG-OG1 3.24Å; S64-S69 WeakPolarHBondContact O-CB 3.36Å; S64-S69 PolarHBondContact O-OG 3.42Å |
| 65 | D | 76 | Confident | 84.9 | Confident | 157 Ų | 157 | 75 Ų | 75 | 84% | 0.84 | 38% | 0.375 | S | S | * | . | trans | -78.1 | 14 | 177.8 | -73.6 | -49.9 | 0 | 0 | 0 | 114.5 | K70 | D65-K70 PolarHBondContact O-NZ 3.17Š| ||
| 66 | T | 77.3 | Confident | 84.6 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 37% | 0.368 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.2 | 160.5 | -178.5 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | S64 S69 K70 | S64-T66 PolarHBondContact O-N 2.77Å; S64-T66 VanDerWaalsContact O-N 3.12Å; S64-T66 PolarHBondContact OG-OG1 3.24Å; T66-S69 PolarHBondContact O-OG 3.27Å; T66-S69 PolarHBondContact OG1-N 2.92Å; T66-K70 WeakPolarHBondContact O-CE 3.19Å |
| 67 | E | 68.3 | Low | 84.1 | Confident | 118 Ų | 118 | 81 Ų | 81 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -71 | -27.3 | 171.7 | -71.9 | -63 | 110.2 | 0 | 0 | 111.2 | K70 K71 | E67-K70 PolarHBondContact O-N 3.27Å; E67-K70 IonicContact OE1-NZ 3.06Å; E67-K70 PolarHBondContact OE1-NZ 3.05Å; E67-K71 PolarHBondContact O-N 2.96Å |
| 68 | E | 69.2 | Low | 83.6 | Confident | 105 Ų | 105 | 83.9 Ų | 83.9 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -62.6 | -40.6 | 174.1 | -73.9 | 53.3 | -121 | 0 | 0 | 112.1 | K70 K71 | E68-K70 PolarHBondContact O-N 3.33Å; E68-K71 PolarHBondContact O-N 3.09Å; E68-K71 IonicContact OE1-NZ 3.41Å; E68-K71 PolarHBondContact OE1-NZ 3.19Å |
| 69 | S | 73.8 | Confident | 83.4 | Confident | 10 Ų | 10 | 84 Ų | 84 | 7% | 0.07 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -67.8 | -18.1 | 178.5 | 79.3 | 0 | 0 | 0 | 0 | 113.9 | R48 M61 S64 T66 | R48-S69 VanDerWaalsContact CZ-O 3.26Å; R48-S69 PolarHBondContact NH1-O 3.42Å; R48-S69 PolarHBondContact NH2-O 3.39Å; M61-S69 WeakPolarHBondContact O-CB 3.18Å; S64-S69 WeakPolarHBondContact O-CB 3.36Å; S64-S69 PolarHBondContact O-OG 3.42Å; T66-S69 PolarHBondContact O-OG 3.27Å; T66-S69 PolarHBondContact OG1-N 2.92Å |
| 70 | K | 74.5 | Confident | 83.3 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -90.9 | -15.6 | 179.2 | -60.8 | 168.3 | -157.8 | 160 | 0 | 112.3 | D65 T66 E67 E68 | D65-K70 PolarHBondContact O-NZ 3.17Å; T66-K70 WeakPolarHBondContact O-CE 3.19Å; E67-K70 PolarHBondContact O-N 3.27Å; E67-K70 IonicContact OE1-NZ 3.06Å; E67-K70 PolarHBondContact OE1-NZ 3.05Å; E68-K70 PolarHBondContact O-N 3.33Å |
| 71 | K | 82 | Confident | 83.4 | Confident | 103 Ų | 103 | 79.1 Ų | 79.1 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -72.8 | 140.3 | 176.8 | -67.6 | 168 | -167.8 | 168.2 | 0 | 110.1 | E67 E68 E73 | E67-K71 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 3.09Å; E68-K71 IonicContact OE1-NZ 3.41Å; E68-K71 PolarHBondContact OE1-NZ 3.19Å; K71-E73 VanDerWaalsContact C-N 3.27Å | ||
| 72 | R | 83.9 | Confident | 83.5 | Confident | 151 Ų | 151 | 82.4 Ų | 82.4 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -72.1 | -25.7 | 172.3 | -166.9 | 179.9 | -174 | -156.5 | 2.1 | 111.9 | L33 C35 V36 | L33-R72 PolarHBondContact O-NH2 2.98Å; C35-R72 CarbonylContact C-O 3.24Å; C35-R72 WeakPolarHBondContact CA-O 3.32Å; V36-R72 PolarHBondContact N-O 3.09Å |
| 73 | E | 88.7 | Confident | 83.6 | Confident | 104 Ų | 104 | 82 Ų | 82 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.3 | -177 | -53 | -170.2 | 153.3 | 0 | 0 | 110.2 | V36 K38 K71 | V36-E73 WeakPolarHBondContact O-CA 3.41Å; K38-E73 VanDerWaalsContact CE-OE1 3.29Å; K38-E73 WeakPolarHBondContact CE-OE1 3.43Å; K38-E73 WeakPolarHBondContact CE-OE2 3.45Å; K38-E73 IonicContact NZ-OE1 3.59Å; K38-E73 PolarHBondContact NZ-OE1 2.9Å; K38-E73 IonicContact NZ-OE2 2.69Å; K38-E73 PolarHBondContact NZ-OE2 3.41Å; K71-E73 VanDerWaalsContact C-N 3.27Å |
| 74 | V | 88.3 | Confident | 83.9 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 115.5 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | V36 L37 K38 M61 F62 L76 | V36-V74 PolarHBondContact O-N 2.95Å; L37-V74 CarbonylContact C-O 3.45Å; L37-V74 WeakPolarHBondContact CA-O 3.49Å; L37-V74 HydrophobicContact CD2-CB 3.84Å; L37-V74 HydrophobicContact CD2-CG1 4.29Å; L37-V74 HydrophobicContact CD2-CG2 4.41Å; K38-V74 PolarHBondContact N-O 2.95Å; M61-V74 HydrophobicContact CE-CB 4.46Å; M61-V74 HydrophobicContact CE-CG1 3.86Å; M61-V74 HydrophobicContact CE-CG2 3.84Å; M61-V74 HydrophobicContact SD-CG1 4.01Å; F62-V74 HydrophobicContact CE1-CG2 4.33Å; V74-L76 HydrophobicContact CG1-CD2 4.33Å |
| 75 | S | 87.9 | Confident | 84.3 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 58% | 0.58 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.6 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | K38 | K38-S75 WeakPolarHBondContact O-CA 3.19Å |
| 76 | L | 88.7 | Confident | 85.1 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 106.5 | 177.1 | -58.2 | 171.3 | 0 | 0 | 0 | 108.1 | L37 K38 V39 F58 V74 M84 F113 | L37-L76 HydrophobicContact CB-CD1 4.32Å; L37-L76 HydrophobicContact CD1-CD1 4.25Å; L37-L76 HydrophobicContact CD2-CD1 4.49Å; K38-L76 PolarHBondContact O-N 3.3Å; V39-L76 HydrophobicContact CG2-CB 4.3Å; V39-L76 HydrophobicContact CG2-CD1 4.29Å; F58-L76 HydrophobicContact CZ-CD1 4.47Å; V74-L76 HydrophobicContact CG1-CD2 4.33Å; L76-M84 HydrophobicContact CD1-CE 4.31Å; L76-F113 HydrophobicContact CD1-CE1 4.49Å; L76-F113 HydrophobicContact CD1-CE2 4.25Å; L76-F113 HydrophobicContact CD1-CZ 3.75Å; L76-F113 HydrophobicContact CD2-CE1 4Å; L76-F113 HydrophobicContact CD2-CZ 3.9Å; L76-F113 HydrophobicContact CG-CZ 4.31Å |
| 77 | E | 83.1 | Confident | 85.9 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 72% | 0.72 | 34% | 0.338 | S | S | * | . | trans | -90.9 | -34.1 | -171.2 | -61.9 | -171.7 | 178.7 | 0 | 0 | 112.9 | K40 V79 | K40-E77 WeakPolarHBondContact CE-O 3.41Å; E77-V79 VanDerWaalsContact C-N 3.31Å; E77-V79 PolarHBondContact O-N 2.86Å | ||
| 78 | D | 84.2 | Confident | 87.1 | Confident | 139 Ų | 139 | 63.3 Ų | 63.3 | 74% | 0.743 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -83.9 | 2.3 | -172.4 | -57.1 | -59.1 | 0 | 0 | 0 | 115 | M112 | D78-M112 HydrophobicContact CB-CE 4.34Š|
| 79 | V | 88.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -109.8 | 147.1 | -171.5 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | V39 K40 E77 M84 V109 M112 F113 | V39-V79 HydrophobicContact CG1-CB 4.09Å; V39-V79 HydrophobicContact CG1-CG1 4.29Å; V39-V79 VanDerWaalsContact CG1-O 3.3Å; V39-V79 WeakPolarHBondContact CG1-O 3.49Å; K40-V79 WeakPolarHBondContact CD-O 3.45Å; K40-V79 WeakPolarHBondContact CE-O 3.29Å; K40-V79 PolarHBondContact NZ-O 2.68Å; K40-V79 VanDerWaalsContact NZ-O 3.1Å; E77-V79 VanDerWaalsContact C-N 3.31Å; E77-V79 PolarHBondContact O-N 2.86Å; V79-M84 HydrophobicContact CG1-CB 3.9Å; V79-V109 HydrophobicContact CG1-CG1 3.93Å; V79-V109 HydrophobicContact CG1-CG2 3.86Å; V79-V109 HydrophobicContact CG2-CG1 4.39Å; V79-V109 HydrophobicContact CG2-CG2 4.36Å; V79-M112 HydrophobicContact CG2-CE 4.37Å; V79-M112 HydrophobicContact CG2-SD 3.73Å; V79-F113 HydrophobicContact CG2-CE2 3.92Å; V79-F113 HydrophobicContact CG2-CZ 3.71Å |
| 80 | D | 90.8 | Very high | 89.2 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | trans | -78.6 | 131.4 | 171.2 | -173.6 | -87.6 | 0 | 0 | 0 | 111.6 | D82 V83 M84 | D80-D82 VanDerWaalsContact C-N 3.3Å; D80-D82 PolarHBondContact O-N 2.87Å; D80-D82 PolarHBondContact OD1-N 3.49Å; D80-V83 HydrophobicContact CB-CB 4.14Å; D80-V83 HydrophobicContact CB-CG2 3.88Å; D80-V83 PolarHBondContact O-N 3.38Å; D80-V83 PolarHBondContact OD1-N 3.17Å; D80-M84 PolarHBondContact O-N 2.64Å | ||
| 81 | P | 92.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 59 Ų | 59 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -27.3 | -176.1 | -19.1 | 31.7 | 0 | 0 | 0 | 114.6 | V39 K40 K42 F44 G85 | V39-P81 HydrophobicContact CB-CB 4.38Å; V39-P81 HydrophobicContact CB-CG 4.43Å; V39-P81 HydrophobicContact CG1-CB 4.3Å; V39-P81 HydrophobicContact CG1-CG 4.07Å; K40-P81 HydrophobicContact CB-CG 4.03Å; K42-P81 HydrophobicContact CB-CB 4.02Å; K42-P81 HydrophobicContact CD-CB 3.62Å; K42-P81 HydrophobicContact CG-CB 4.45Å; F44-P81 HydrophobicContact CE2-CB 4.41Å; F44-P81 HydrophobicContact CZ-CB 4.45Å; F44-P81 WeakPolarHBondContact CZ-O 3.31Å; P81-G85 PolarHBondContact O-N 3.46Å |
| 82 | D | 91.8 | Very high | 90.6 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -83.2 | -34 | -179.5 | -66.6 | -25.6 | 0 | 0 | 0 | 111.1 | K42 D80 G85 K86 | K42-D82 IonicContact NZ-OD1 2.88Å; K42-D82 PolarHBondContact NZ-OD1 3.3Å; D80-D82 VanDerWaalsContact C-N 3.3Å; D80-D82 PolarHBondContact O-N 2.87Å; D80-D82 PolarHBondContact OD1-N 3.49Å; D82-G85 PolarHBondContact O-N 3Å; D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-N 2.6Å |
| 83 | V | 93.8 | Very high | 91 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 9% | 0.085 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 168.8 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | D80 G85 K86 I87 D105 I106 V109 | D80-V83 HydrophobicContact CB-CB 4.14Å; D80-V83 HydrophobicContact CB-CG2 3.88Å; D80-V83 PolarHBondContact O-N 3.38Å; D80-V83 PolarHBondContact OD1-N 3.17Å; V83-G85 VanDerWaalsContact C-N 3.31Å; V83-G85 PolarHBondContact O-N 2.77Å; V83-K86 PolarHBondContact O-N 3.35Å; V83-I87 HydrophobicContact CG1-CD1 4.16Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.1Å; V83-D105 HydrophobicContact CG1-CB 4.36Å; V83-D105 HydrophobicContact CG2-CB 3.74Å; V83-I106 HydrophobicContact CG1-CG1 4.05Å; V83-V109 HydrophobicContact CG1-CB 4.19Å; V83-V109 HydrophobicContact CG1-CG2 3.85Å |
| 84 | M | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -36 | 176.3 | -166.3 | 56.6 | 179.7 | 0 | 0 | 112.2 | L37 V39 F58 L76 V79 D80 K86 I87 L88 V109 F113 | L37-M84 HydrophobicContact CD1-CE 3.42Å; L37-M84 VanDerWaalsContact CD1-CE 3.42Å; V39-M84 HydrophobicContact CG2-CB 4.26Å; V39-M84 HydrophobicContact CG2-CG 4.06Å; F58-M84 HydrophobicContact CE2-CE 4.2Å; F58-M84 HydrophobicContact CZ-CE 4.01Å; L76-M84 HydrophobicContact CD1-CE 4.31Å; V79-M84 HydrophobicContact CG1-CB 3.9Å; D80-M84 PolarHBondContact O-N 2.64Å; M84-K86 PolarHBondContact O-N 2.64Å; M84-I87 PolarHBondContact O-N 3.25Å; M84-I87 HydrophobicContact SD-CB 4.39Å; M84-I87 HydrophobicContact SD-CG2 4.33Å; M84-L88 HydrophobicContact CE-CD1 4.5Å; M84-L88 HydrophobicContact CE-CD2 4.25Å; M84-L88 HydrophobicContact CE-CG 4.18Å; M84-L88 HydrophobicContact CG-CD1 4.25Å; M84-L88 HydrophobicContact CG-CG 4.46Å; M84-L88 WeakPolarHBondContact O-CB 3.2Å; M84-L88 WeakPolarHBondContact O-CG 3.3Å; M84-L88 PolarHBondContact O-N 3.41Å; M84-V109 HydrophobicContact SD-CG1 4.37Å; M84-F113 HydrophobicContact CE-CD2 4.17Å; M84-F113 HydrophobicContact CE-CE2 3.96Å; M84-F113 HydrophobicContact SD-CD2 4.08Å; M84-F113 HydrophobicContact SD-CE2 3.72Å |
| 85 | G | 92.9 | Very high | 91.1 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P81 D82 V83 L88 H89 | P81-G85 PolarHBondContact O-N 3.46Å; D82-G85 PolarHBondContact O-N 3Å; V83-G85 VanDerWaalsContact C-N 3.31Å; V83-G85 PolarHBondContact O-N 2.77Å; G85-L88 PolarHBondContact O-N 2.81Å; G85-H89 WeakPolarHBondContact O-CB 3.45Å; G85-H89 PolarHBondContact O-N 3.31Å |
| 86 | K | 93.7 | Very high | 91.4 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175 | -72.9 | -178.3 | 175.2 | -170.3 | 0 | 113 | D82 V83 M84 H89 Y90 L96 N102 I106 | D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-N 2.6Å; V83-K86 PolarHBondContact O-N 3.35Å; M84-K86 PolarHBondContact O-N 2.64Å; K86-H89 WeakPolarHBondContact O-CB 3.48Å; K86-H89 PolarHBondContact O-N 3.34Å; K86-Y90 PolarHBondContact O-N 3.05Å; K86-L96 HydrophobicContact CB-CD1 4.04Å; K86-N102 PolarHBondContact NZ-ND2 2.79Å; K86-I106 HydrophobicContact CD-CD1 4.33Å |
| 87 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.6 | -72.4 | 172 | 0 | 0 | 0 | 110.9 | V83 M84 Y90 I91 V109 I115 I118 | V83-I87 HydrophobicContact CG1-CD1 4.16Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.1Å; M84-I87 PolarHBondContact O-N 3.25Å; M84-I87 HydrophobicContact SD-CB 4.39Å; M84-I87 HydrophobicContact SD-CG2 4.33Å; I87-Y90 PolarHBondContact O-N 3.39Å; I87-I91 HydrophobicContact CG2-CD1 3.98Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 2.85Å; I87-V109 HydrophobicContact CD1-CB 3.64Å; I87-V109 HydrophobicContact CD1-CG1 3.38Å; I87-I115 HydrophobicContact CG2-CD1 3.38Å; I87-I118 HydrophobicContact CB-CD1 4.39Å; I87-I118 HydrophobicContact CG1-CD1 3.98Å; I87-I118 HydrophobicContact CG2-CD1 4.07Å |
| 88 | L | 93.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 174 | -72 | 172.1 | 0 | 0 | 0 | 111.9 | L37 F44 L51 M84 G85 I91 Y92 | L37-L88 HydrophobicContact CD1-CD1 4.46Å; L37-L88 HydrophobicContact CD1-CD2 4.28Å; F44-L88 HydrophobicContact CB-CD1 3.5Å; F44-L88 VanDerWaalsContact CB-CD1 3.5Å; F44-L88 HydrophobicContact CD1-CD1 3.64Å; F44-L88 HydrophobicContact CD2-CD1 4.45Å; F44-L88 HydrophobicContact CE1-CD1 4.46Å; F44-L88 HydrophobicContact CG-CD1 3.62Å; L51-L88 HydrophobicContact CD2-CD2 3.86Å; M84-L88 HydrophobicContact CE-CD1 4.5Å; M84-L88 HydrophobicContact CE-CD2 4.25Å; M84-L88 HydrophobicContact CE-CG 4.18Å; M84-L88 HydrophobicContact CG-CD1 4.25Å; M84-L88 HydrophobicContact CG-CG 4.46Å; M84-L88 WeakPolarHBondContact O-CB 3.2Å; M84-L88 WeakPolarHBondContact O-CG 3.3Å; M84-L88 PolarHBondContact O-N 3.41Å; G85-L88 PolarHBondContact O-N 2.81Å; L88-I91 PolarHBondContact O-N 3.33Å; L88-Y92 WeakPolarHBondContact O-CD2 3.21Å; L88-Y92 PolarHBondContact O-N 3.25Å |
| 89 | H | 92.7 | Very high | 92.5 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.398 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.2 | -56.9 | 171.4 | -175.4 | -97.7 | 0 | 0 | 0 | 110.3 | G85 K86 I91 Y92 T93 E95 | G85-H89 WeakPolarHBondContact O-CB 3.45Å; G85-H89 PolarHBondContact O-N 3.31Å; K86-H89 WeakPolarHBondContact O-CB 3.48Å; K86-H89 PolarHBondContact O-N 3.34Å; H89-I91 VanDerWaalsContact C-N 3.31Å; H89-I91 PolarHBondContact O-N 3.09Å; H89-Y92 PolarHBondContact O-N 3.42Å; H89-T93 PolarHBondContact CE1-OG1 3.45Å; H89-T93 PolarHBondContact ND1-OG1 3.48Å; H89-T93 PolarHBondContact O-N 3.18Å; H89-T93 PolarHBondContact O-OG1 3.2Å; H89-E95 IonicContact CE1-OE2 3.47Å; H89-E95 PolarHBondContact ND1-O 3.41Å |
| 90 | Y | 94.3 | Very high | 92.5 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.2 | -40.2 | 178.4 | 171.4 | -93.9 | 0 | 0 | 0 | 113.7 | K86 I87 Y92 T93 S94 L96 S117 I118 | K86-Y90 PolarHBondContact O-N 3.05Å; I87-Y90 PolarHBondContact O-N 3.39Å; Y90-Y92 PolarHBondContact O-N 3.47Å; Y90-Y92 VanDerWaalsContact O-N 3.17Å; Y90-T93 PolarHBondContact O-N 3.24Å; Y90-S94 VanDerWaalsContact CD2-C 3.43Å; Y90-S94 WeakPolarHBondContact CD2-O 3.35Å; Y90-S94 WeakPolarHBondContact CE2-O 3.18Å; Y90-S94 VanDerWaalsContact O-CA 3.23Å; Y90-S94 WeakPolarHBondContact O-CA 3.29Å; Y90-S94 PolarHBondContact O-N 3.11Å; Y90-L96 HydrophobicContact CD2-CB 3.63Å; Y90-L96 HydrophobicContact CD2-CD2 4.49Å; Y90-L96 HydrophobicContact CE2-CB 4.47Å; Y90-L96 HydrophobicContact CG-CB 4.1Å; Y90-L96 HydrophobicContact CG-CD2 4.44Å; Y90-S117 WeakPolarHBondContact CE1-OG 3.45Å; Y90-S117 VanDerWaalsContact OH-CB 3.23Å; Y90-S117 WeakPolarHBondContact OH-CB 3.22Å; Y90-S117 PolarHBondContact OH-OG 3.27Å; Y90-I118 HydrophobicContact CD1-CD1 3.5Å; Y90-I118 VanDerWaalsContact CD1-CD1 3.5Å; Y90-I118 HydrophobicContact CD1-CG1 3.53Å; Y90-I118 HydrophobicContact CE1-CD1 3.96Å; Y90-I118 HydrophobicContact CE1-CG1 3.47Å; Y90-I118 VanDerWaalsContact CE1-CG1 3.47Å; Y90-I118 HydrophobicContact CG-CD1 4.16Å; Y90-I118 HydrophobicContact CG-CG1 4.21Å |
| 91 | I | 92.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -26.5 | 179.2 | -75.8 | 169.4 | 0 | 0 | 0 | 112.3 | V50 L51 C54 I87 L88 H89 I115 | V50-I91 HydrophobicContact CG1-CG2 3.53Å; L51-I91 HydrophobicContact CD2-CD1 4.02Å; C54-I91 HydrophobicContact CB-CG1 4.3Å; C54-I91 HydrophobicContact CB-CG2 4.4Å; I87-I91 HydrophobicContact CG2-CD1 3.98Å; I87-I91 VanDerWaalsContact O-CG1 3.31Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 2.85Å; L88-I91 PolarHBondContact O-N 3.33Å; H89-I91 VanDerWaalsContact C-N 3.31Å; H89-I91 PolarHBondContact O-N 3.09Å; I91-I115 HydrophobicContact CD1-CD1 4.18Å |
| 92 | Y | 92.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -103.3 | -30.2 | 177.8 | -71.5 | -102.4 | 0 | 0 | 0 | 113.5 | Q20 L23 L27 H47 V50 L88 H89 Y90 | Q20-Y92 WeakPolarHBondContact CG-O 3.43Å; Q20-Y92 PolarHBondContact NE2-O 2.92Å; L23-Y92 HydrophobicContact CB-CD1 4.25Å; L23-Y92 HydrophobicContact CB-CE1 4.47Å; L27-Y92 HydrophobicContact CB-CD1 4.08Å; L27-Y92 HydrophobicContact CB-CE1 3.97Å; L27-Y92 HydrophobicContact CD1-CE1 4.15Å; L27-Y92 HydrophobicContact CD1-CE2 4.45Å; L27-Y92 HydrophobicContact CD2-CD1 3.93Å; L27-Y92 HydrophobicContact CD2-CD2 3.99Å; L27-Y92 HydrophobicContact CD2-CE1 4.1Å; L27-Y92 HydrophobicContact CD2-CE2 4.16Å; L27-Y92 HydrophobicContact CD2-CG 3.87Å; L27-Y92 HydrophobicContact CG-CD1 4.49Å; L27-Y92 HydrophobicContact CG-CE1 4.31Å; H47-Y92 PolarHBondContact N-OH 3.47Å; H47-Y92 VanDerWaalsContact N-OH 3.09Å; H47-Y92 AromaticContact ND1-CE1 3.45Å; H47-Y92 WeakPolarHBondContact ND1-CE1 3.24Å; H47-Y92 AromaticContact ND1-CZ 3.6Å; H47-Y92 PolarHBondContact ND1-OH 2.98Å; V50-Y92 HydrophobicContact CG1-CE1 4.25Å; V50-Y92 HydrophobicContact CG1-CE2 4.1Å; V50-Y92 HydrophobicContact CG2-CE1 4.32Å; L88-Y92 WeakPolarHBondContact O-CD2 3.21Å; L88-Y92 PolarHBondContact O-N 3.25Å; H89-Y92 PolarHBondContact O-N 3.42Å; Y90-Y92 PolarHBondContact O-N 3.47Å; Y90-Y92 VanDerWaalsContact O-N 3.17Å |
| 93 | T | 91.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -107.7 | -11.6 | -175 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | Q20 K24 H89 Y90 E95 | Q20-T93 VanDerWaalsContact NE2-CA 3.34Å; Q20-T93 PolarHBondContact NE2-O 3.11Å; K24-T93 HydrophobicContact CD-CG2 4.14Å; K24-T93 HydrophobicContact CG-CG2 4.4Å; H89-T93 PolarHBondContact CE1-OG1 3.45Å; H89-T93 PolarHBondContact ND1-OG1 3.48Å; H89-T93 PolarHBondContact O-N 3.18Å; H89-T93 PolarHBondContact O-OG1 3.2Å; Y90-T93 PolarHBondContact O-N 3.24Å; T93-E95 PolarHBondContact O-N 3.5Å; T93-E95 VanDerWaalsContact O-N 3.1Å; T93-E95 PolarHBondContact OG1-N 3.35Å |
| 94 | S | 90.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 28% | 0.275 | S | S | . | . | trans | 57.6 | 10.1 | -170.1 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | Q20 Y90 | Q20-S94 VanDerWaalsContact NE2-N 3.16Å; Q20-S94 PolarHBondContact NE2-OG 3.06Å; Y90-S94 VanDerWaalsContact CD2-C 3.43Å; Y90-S94 WeakPolarHBondContact CD2-O 3.35Å; Y90-S94 WeakPolarHBondContact CE2-O 3.18Å; Y90-S94 VanDerWaalsContact O-CA 3.23Å; Y90-S94 WeakPolarHBondContact O-CA 3.29Å; Y90-S94 PolarHBondContact O-N 3.11Å | ||
| 95 | E | 90.4 | Very high | 92.6 | Very high | 130 Ų | 130 | 59 Ų | 59 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | trans | -103 | 123.6 | 179.3 | -65.3 | 178.7 | 161 | 0 | 0 | 110.6 | H89 T93 | H89-E95 IonicContact CE1-OE2 3.47Å; H89-E95 PolarHBondContact ND1-O 3.41Å; T93-E95 PolarHBondContact O-N 3.5Å; T93-E95 VanDerWaalsContact O-N 3.1Å; T93-E95 PolarHBondContact OG1-N 3.35Å | ||
| 96 | L | 92.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | trans | -143.6 | 118.9 | 177.8 | -173.8 | 62.7 | 0 | 0 | 0 | 111 | K86 Y90 I98 I106 I118 | K86-L96 HydrophobicContact CB-CD1 4.04Å; Y90-L96 HydrophobicContact CD2-CB 3.63Å; Y90-L96 HydrophobicContact CD2-CD2 4.49Å; Y90-L96 HydrophobicContact CE2-CB 4.47Å; Y90-L96 HydrophobicContact CG-CB 4.1Å; Y90-L96 HydrophobicContact CG-CD2 4.44Å; L96-I98 HydrophobicContact CD2-CD1 4.12Å; L96-I98 HydrophobicContact CD2-CG1 4.1Å; L96-I98 HydrophobicContact CG-CG1 4.04Å; L96-I98 PolarHBondContact O-N 2.89Å; L96-I106 HydrophobicContact CD1-CD1 4.32Å; L96-I106 HydrophobicContact CD2-CG2 4.09Å; L96-I118 HydrophobicContact CD2-CB 4.42Å; L96-I118 HydrophobicContact CD2-CD1 4.15Å; L96-I118 HydrophobicContact CD2-CG1 4.02Å; L96-I118 HydrophobicContact CD2-CG2 3.72Å | ||
| 97 | E | 92.9 | Very high | 92.8 | Very high | 147 Ų | 147 | 54.1 Ų | 54.1 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | trans | -88.4 | 105.5 | 174.7 | -171.1 | -174.7 | -167.6 | 0 | 0 | 110.8 | T99 N102 | E97-T99 HydrophobicContact CG-CG2 4.16Å; E97-N102 PolarHBondContact O-ND2 3.47Å | ||
| 98 | I | 93.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -96.5 | 125.6 | 176.7 | -62.1 | 170.4 | 0 | 0 | 0 | 109.2 | L96 N102 V103 V121 F125 | L96-I98 HydrophobicContact CD2-CD1 4.12Å; L96-I98 HydrophobicContact CD2-CG1 4.1Å; L96-I98 HydrophobicContact CG-CG1 4.04Å; L96-I98 PolarHBondContact O-N 2.89Å; I98-N102 WeakPolarHBondContact CA-OD1 3.23Å; I98-V103 HydrophobicContact CG2-CB 3.71Å; I98-V103 HydrophobicContact CG2-CG2 3.7Å; I98-V121 HydrophobicContact CD1-CB 4.19Å; I98-V121 HydrophobicContact CD1-CG1 3.6Å; I98-F125 HydrophobicContact CB-CD2 4.41Å; I98-F125 HydrophobicContact CG2-CB 4.36Å; I98-F125 HydrophobicContact CG2-CD1 4.04Å; I98-F125 HydrophobicContact CG2-CD2 3.86Å; I98-F125 HydrophobicContact CG2-CE1 4.28Å; I98-F125 HydrophobicContact CG2-CE2 4.1Å; I98-F125 HydrophobicContact CG2-CG 3.83Å; I98-F125 HydrophobicContact CG2-CZ 4.31Å; I98-F125 WeakPolarHBondContact O-CE2 3.45Å | ||
| 99 | T | 93.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | trans | -128.8 | 162.5 | 178.3 | 77.5 | 0 | 0 | 0 | 0 | 110.3 | E97 Q101 N102 V103 | E97-T99 HydrophobicContact CG-CG2 4.16Å; T99-Q101 PolarHBondContact O-N 3.47Å; T99-Q101 VanDerWaalsContact O-N 3.11Å; T99-Q101 PolarHBondContact OG1-OE1 2.95Å; T99-N102 PolarHBondContact N-ND2 3.37Å; T99-N102 PolarHBondContact N-OD1 3.44Å; T99-N102 PolarHBondContact O-N 2.93Å; T99-N102 PolarHBondContact O-OD1 3.45Å; T99-N102 PolarHBondContact OG1-ND2 3.12Å; T99-V103 WeakPolarHBondContact O-CB 3.38Å; T99-V103 PolarHBondContact O-N 3.41Å | ||
| 100 | E | 89.6 | Confident | 92.9 | Very high | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.584 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.9 | 179.9 | -64.6 | 175.5 | 177.8 | 0 | 0 | 113 | F125 R129 | E100-F125 HydrophobicContact CG-CE1 4.21Å; E100-F125 HydrophobicContact CG-CZ 4.15Å; E100-R129 IonicContact OE1-NE 3.99Å |
| 101 | Q | 90.6 | Very high | 92.9 | Very high | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21.5 | 179.5 | -56.4 | 74 | 24.6 | 0 | 0 | 113.5 | T99 | T99-Q101 PolarHBondContact O-N 3.47Å; T99-Q101 VanDerWaalsContact O-N 3.11Å; T99-Q101 PolarHBondContact OG1-OE1 2.95Å |
| 102 | N | 93.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -14.9 | -172.9 | 77.1 | 27.8 | 0 | 0 | 0 | 114 | K86 E97 I98 T99 Q104 D105 I106 | K86-N102 PolarHBondContact NZ-ND2 2.79Å; E97-N102 PolarHBondContact O-ND2 3.47Å; I98-N102 WeakPolarHBondContact CA-OD1 3.23Å; T99-N102 PolarHBondContact N-ND2 3.37Å; T99-N102 PolarHBondContact N-OD1 3.44Å; T99-N102 PolarHBondContact O-N 2.93Å; T99-N102 PolarHBondContact O-OD1 3.45Å; T99-N102 PolarHBondContact OG1-ND2 3.12Å; N102-Q104 VanDerWaalsContact C-N 3.33Å; N102-Q104 PolarHBondContact O-N 2.74Å; N102-D105 PolarHBondContact O-N 2.73Å; N102-I106 HydrophobicContact CB-CD1 4.16Å; N102-I106 WeakPolarHBondContact O-CG1 3.41Å; N102-I106 PolarHBondContact O-N 2.88Å; N102-I106 VanDerWaalsContact O-N 3.1Å; N102-I106 VanDerWaalsContact OD1-CD1 3.29Å; N102-I106 WeakPolarHBondContact OD1-CD1 3.38Å |
| 103 | V | 94.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | -173.5 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | I98 T99 F107 C122 F125 L126 | I98-V103 HydrophobicContact CG2-CB 3.71Å; I98-V103 HydrophobicContact CG2-CG2 3.7Å; T99-V103 WeakPolarHBondContact O-CB 3.38Å; T99-V103 PolarHBondContact O-N 3.41Å; V103-F107 WeakPolarHBondContact O-CB 3.4Å; V103-F107 PolarHBondContact O-N 3.01Å; V103-C122 HydrophobicContact CG2-CB 4.25Å; V103-F125 HydrophobicContact CB-CD1 4.24Å; V103-F125 HydrophobicContact CB-CE1 4.3Å; V103-F125 HydrophobicContact CG1-CD1 4.37Å; V103-F125 HydrophobicContact CG1-CE1 4.21Å; V103-F125 HydrophobicContact CG2-CD1 3.91Å; V103-F125 HydrophobicContact CG2-CE1 4.46Å; V103-L126 HydrophobicContact CG1-CD2 3.76Å; V103-L126 HydrophobicContact CG2-CD1 4.24Å; V103-L126 HydrophobicContact CG2-CD2 4.03Å; V103-L126 HydrophobicContact CG2-CG 3.9Å |
| 104 | Q | 92.9 | Very high | 93 | Very high | 108 Ų | 108 | 58.3 Ų | 58.3 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | -178.9 | 177.8 | 171.9 | -18.8 | 0 | 0 | 112 | N102 F107 S108 L141 | N102-Q104 VanDerWaalsContact C-N 3.33Å; N102-Q104 PolarHBondContact O-N 2.74Å; Q104-F107 PolarHBondContact O-N 2.98Å; Q104-S108 WeakPolarHBondContact O-CB 3.39Å; Q104-S108 PolarHBondContact O-N 2.8Å; Q104-S108 PolarHBondContact O-OG 2.95Å; Q104-L141 HydrophobicContact CB-CD2 4.39Å; Q104-L141 HydrophobicContact CG-CD1 3.96Å; Q104-L141 HydrophobicContact CG-CD2 4.1Å |
| 105 | D | 93.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 55 Ų | 55 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72 | -44.7 | -178.3 | -53.1 | -47.1 | 0 | 0 | 0 | 111 | V83 N102 F107 S108 V109 | V83-D105 HydrophobicContact CG1-CB 4.36Å; V83-D105 HydrophobicContact CG2-CB 3.74Å; N102-D105 PolarHBondContact O-N 2.73Å; D105-F107 VanDerWaalsContact C-N 3.29Å; D105-F107 PolarHBondContact O-N 2.81Å; D105-S108 PolarHBondContact O-N 2.67Å; D105-V109 WeakPolarHBondContact O-CG2 3.39Å; D105-V109 PolarHBondContact O-N 3.31Å |
| 106 | I | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 174.5 | -67.6 | 174.5 | 0 | 0 | 0 | 110.6 | V83 K86 L96 N102 A110 I118 | V83-I106 HydrophobicContact CG1-CG1 4.05Å; K86-I106 HydrophobicContact CD-CD1 4.33Å; L96-I106 HydrophobicContact CD1-CD1 4.32Å; L96-I106 HydrophobicContact CD2-CG2 4.09Å; N102-I106 HydrophobicContact CB-CD1 4.16Å; N102-I106 WeakPolarHBondContact O-CG1 3.41Å; N102-I106 PolarHBondContact O-N 2.88Å; N102-I106 VanDerWaalsContact O-N 3.1Å; N102-I106 VanDerWaalsContact OD1-CD1 3.29Å; N102-I106 WeakPolarHBondContact OD1-CD1 3.38Å; I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 3.49Å; I106-I118 HydrophobicContact CG2-CG2 3.56Å |
| 107 | F | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.8 | -176.2 | -136.5 | 0 | 0 | 0 | 112.1 | V103 Q104 D105 A110 N111 F119 C122 V123 L126 L141 L145 C147 L150 | V103-F107 WeakPolarHBondContact O-CB 3.4Å; V103-F107 PolarHBondContact O-N 3.01Å; Q104-F107 PolarHBondContact O-N 2.98Å; D105-F107 VanDerWaalsContact C-N 3.29Å; D105-F107 PolarHBondContact O-N 2.81Å; F107-A110 PolarHBondContact O-N 3.43Å; F107-N111 WeakPolarHBondContact O-CB 3.36Å; F107-N111 PolarHBondContact O-N 2.77Å; F107-F119 HydrophobicContact CD2-CD2 4.01Å; F107-F119 HydrophobicContact CD2-CE2 4.36Å; F107-F119 HydrophobicContact CD2-CG 4.47Å; F107-F119 HydrophobicContact CE2-CD1 4.28Å; F107-F119 AromaticContact CE2-CD2 3.4Å; F107-F119 HydrophobicContact CE2-CD2 3.4Å; F107-F119 HydrophobicContact CE2-CE1 4.31Å; F107-F119 AromaticContact CE2-CE2 3.43Å; F107-F119 HydrophobicContact CE2-CE2 3.43Å; F107-F119 VanDerWaalsContact CE2-CE2 3.43Å; F107-F119 AromaticContact CE2-CG 3.86Å; F107-F119 HydrophobicContact CE2-CG 3.86Å; F107-F119 AromaticContact CE2-CZ 3.92Å; F107-F119 HydrophobicContact CE2-CZ 3.92Å; F107-F119 HydrophobicContact CZ-CD2 4.28Å; F107-F119 AromaticContact CZ-CE2 3.85Å; F107-F119 HydrophobicContact CZ-CE2 3.85Å; F107-F119 HydrophobicContact CZ-CZ 4.1Å; F107-C122 HydrophobicContact CB-CB 3.79Å; F107-C122 HydrophobicContact CD2-CB 3.46Å; F107-C122 VanDerWaalsContact CD2-CB 3.46Å; F107-C122 HydrophobicContact CE2-CB 4.26Å; F107-C122 HydrophobicContact CG-CB 3.82Å; F107-V123 HydrophobicContact CE2-CG2 3.55Å; F107-V123 HydrophobicContact CZ-CG2 3.58Å; F107-L126 HydrophobicContact CD1-CD1 4.08Å; F107-L126 HydrophobicContact CE1-CD1 4.37Å; F107-L141 HydrophobicContact CD1-CD2 4.17Å; F107-L141 HydrophobicContact CD1-CG 4.32Å; F107-L141 HydrophobicContact CE1-CG 4.49Å; F107-L145 HydrophobicContact CD1-CD1 3.33Å; F107-L145 HydrophobicContact CE1-CD1 3.45Å; F107-L145 VanDerWaalsContact CE1-CD1 3.45Å; F107-L145 HydrophobicContact CG-CD1 4.09Å; F107-L145 HydrophobicContact CZ-CD1 4.29Å; F107-C147 HydrophobicContact CZ-CB 4Å; F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CZ-CD2 4.12Å |
| 108 | S | 93.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | Q104 D105 N111 M112 | Q104-S108 WeakPolarHBondContact O-CB 3.39Å; Q104-S108 PolarHBondContact O-N 2.8Å; Q104-S108 PolarHBondContact O-OG 2.95Å; D105-S108 PolarHBondContact O-N 2.67Å; S108-N111 PolarHBondContact O-N 3.21Å; S108-M112 WeakPolarHBondContact O-CB 3.16Å; S108-M112 PolarHBondContact O-N 2.87Å |
| 109 | V | 93.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72 | -36 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | V79 V83 M84 I87 D105 N111 M112 F113 | V79-V109 HydrophobicContact CG1-CG1 3.93Å; V79-V109 HydrophobicContact CG1-CG2 3.86Å; V79-V109 HydrophobicContact CG2-CG1 4.39Å; V79-V109 HydrophobicContact CG2-CG2 4.36Å; V83-V109 HydrophobicContact CG1-CB 4.19Å; V83-V109 HydrophobicContact CG1-CG2 3.85Å; M84-V109 HydrophobicContact SD-CG1 4.37Å; I87-V109 HydrophobicContact CD1-CB 3.64Å; I87-V109 HydrophobicContact CD1-CG1 3.38Å; D105-V109 WeakPolarHBondContact O-CG2 3.39Å; D105-V109 PolarHBondContact O-N 3.31Å; V109-N111 VanDerWaalsContact C-N 3.32Å; V109-N111 PolarHBondContact O-N 2.92Å; V109-M112 PolarHBondContact O-N 3.48Å; V109-F113 HydrophobicContact CG1-CD2 3.51Å; V109-F113 HydrophobicContact CG1-CE2 3.52Å; V109-F113 PolarHBondContact O-N 3.27Å |
| 110 | A | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I106 F107 Q114 I115 I118 | I106-A110 WeakPolarHBondContact O-CB 3.44Å; I106-A110 PolarHBondContact O-N 3.49Å; F107-A110 PolarHBondContact O-N 3.43Å; A110-Q114 CarbonylContact O-C 3.56Å; A110-Q114 WeakPolarHBondContact O-CA 3.38Å; A110-Q114 PolarHBondContact O-N 2.69Å; A110-I115 PolarHBondContact O-N 2.68Å; A110-I118 HydrophobicContact CB-CB 3.87Å; A110-I118 HydrophobicContact CB-CG2 3.62Å |
| 111 | N | 93.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -50.7 | 171.8 | -167.3 | 41.8 | 0 | 0 | 0 | 111.2 | F107 S108 V109 F113 Q114 F119 L145 | F107-N111 WeakPolarHBondContact O-CB 3.36Å; F107-N111 PolarHBondContact O-N 2.77Å; S108-N111 PolarHBondContact O-N 3.21Å; V109-N111 VanDerWaalsContact C-N 3.32Å; V109-N111 PolarHBondContact O-N 2.92Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 3.03Å; N111-Q114 PolarHBondContact O-N 2.85Å; N111-F119 HydrophobicContact CB-CD2 4.08Å; N111-F119 HydrophobicContact CB-CE2 4.03Å; N111-F119 WeakPolarHBondContact OD1-CE2 3.32Å; N111-L145 HydrophobicContact CB-CD2 4.42Å; N111-L145 PolarHBondContact ND2-O 3.33Å |
| 112 | M | 92.8 | Very high | 94 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.3 | -46 | 179.5 | -175.9 | -175.7 | -176.5 | 0 | 0 | 112.6 | D78 V79 S108 V109 | D78-M112 HydrophobicContact CB-CE 4.34Å; V79-M112 HydrophobicContact CG2-CE 4.37Å; V79-M112 HydrophobicContact CG2-SD 3.73Å; S108-M112 WeakPolarHBondContact O-CB 3.16Å; S108-M112 PolarHBondContact O-N 2.87Å; V109-M112 PolarHBondContact O-N 3.48Å |
| 113 | F | 93.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 12 | 177 | -57.1 | -40 | 0 | 0 | 0 | 113.7 | S55 Y57 F58 L76 V79 M84 V109 N111 I115 | S55-F113 WeakPolarHBondContact CB-O 3.3Å; S55-F113 PolarHBondContact OG-O 3.22Å; Y57-F113 AromaticContact CD1-CD1 3.59Å; Y57-F113 HydrophobicContact CD1-CD1 3.59Å; Y57-F113 HydrophobicContact CD1-CE1 4.31Å; Y57-F113 HydrophobicContact CD1-CG 4.44Å; Y57-F113 AromaticContact CE1-CD1 3.62Å; Y57-F113 HydrophobicContact CE1-CD1 3.62Å; Y57-F113 AromaticContact CE1-CE1 3.87Å; Y57-F113 HydrophobicContact CE1-CE1 3.87Å; Y57-F113 HydrophobicContact CG-CD1 4.21Å; F58-F113 HydrophobicContact CE2-CB 4.09Å; F58-F113 HydrophobicContact CE2-CD1 4.35Å; F58-F113 HydrophobicContact CE2-CD2 4.26Å; F58-F113 AromaticContact CE2-CG 3.99Å; F58-F113 HydrophobicContact CE2-CG 3.99Å; F58-F113 AromaticContact CZ-CD1 3.99Å; F58-F113 HydrophobicContact CZ-CD1 3.99Å; F58-F113 HydrophobicContact CZ-CD2 4.19Å; F58-F113 HydrophobicContact CZ-CE1 4.21Å; F58-F113 HydrophobicContact CZ-CE2 4.39Å; F58-F113 AromaticContact CZ-CG 3.99Å; F58-F113 HydrophobicContact CZ-CG 3.99Å; F58-F113 HydrophobicContact CZ-CZ 4.41Å; L76-F113 HydrophobicContact CD1-CE1 4.49Å; L76-F113 HydrophobicContact CD1-CE2 4.25Å; L76-F113 HydrophobicContact CD1-CZ 3.75Å; L76-F113 HydrophobicContact CD2-CE1 4Å; L76-F113 HydrophobicContact CD2-CZ 3.9Å; L76-F113 HydrophobicContact CG-CZ 4.31Å; V79-F113 HydrophobicContact CG2-CE2 3.92Å; V79-F113 HydrophobicContact CG2-CZ 3.71Å; M84-F113 HydrophobicContact CE-CD2 4.17Å; M84-F113 HydrophobicContact CE-CE2 3.96Å; M84-F113 HydrophobicContact SD-CD2 4.08Å; M84-F113 HydrophobicContact SD-CE2 3.72Å; V109-F113 HydrophobicContact CG1-CD2 3.51Å; V109-F113 HydrophobicContact CG1-CE2 3.52Å; V109-F113 PolarHBondContact O-N 3.27Å; N111-F113 VanDerWaalsContact C-N 3.34Å; N111-F113 PolarHBondContact O-N 3.03Å; F113-I115 VanDerWaalsContact C-N 3.31Å; F113-I115 HydrophobicContact CB-CD1 4.23Å; F113-I115 HydrophobicContact CB-CG1 4.18Å; F113-I115 PolarHBondContact O-N 2.71Å |
| 114 | Q | 94.4 | Very high | 94.1 | Very high | 106 Ų | 106 | 40.5 Ų | 40.5 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.7 | 172.5 | -57.2 | 178.9 | -3.6 | 0 | 0 | 114.5 | P56 A110 N111 P116 | P56-Q114 WeakPolarHBondContact CD-O 3.36Å; P56-Q114 HydrophobicContact CG-CB 4.46Å; A110-Q114 CarbonylContact O-C 3.56Å; A110-Q114 WeakPolarHBondContact O-CA 3.38Å; A110-Q114 PolarHBondContact O-N 2.69Å; N111-Q114 PolarHBondContact O-N 2.85Å; Q114-P116 WeakPolarHBondContact O-CD 3.42Å; Q114-P116 WeakPolarHBondContact O-CG 3.11Å |
| 115 | I | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | trans | -85.8 | 99.2 | -177 | -55 | 173.3 | 0 | 0 | 0 | 109.2 | I87 I91 A110 F113 S117 I118 F119 | I87-I115 HydrophobicContact CG2-CD1 3.38Å; I91-I115 HydrophobicContact CD1-CD1 4.18Å; A110-I115 PolarHBondContact O-N 2.68Å; F113-I115 VanDerWaalsContact C-N 3.31Å; F113-I115 HydrophobicContact CB-CD1 4.23Å; F113-I115 HydrophobicContact CB-CG1 4.18Å; F113-I115 PolarHBondContact O-N 2.71Å; I115-S117 PolarHBondContact O-N 3.19Å; I115-I118 HydrophobicContact CB-CD1 4.43Å; I115-I118 HydrophobicContact CD1-CD1 4.29Å; I115-I118 HydrophobicContact CG2-CB 4.21Å; I115-I118 HydrophobicContact CG2-CD1 3.82Å; I115-I118 HydrophobicContact CG2-CG1 3.79Å; I115-F119 WeakPolarHBondContact O-CB 3.26Å; I115-F119 PolarHBondContact O-N 3.23Å; I115-F119 VanDerWaalsContact O-N 3.08Å | ||
| 116 | P | 92.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 34.2 Ų | 34.2 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.2 | -27.8 | -159.9 | -18.2 | 34.4 | 0 | 0 | 0 | 113.5 | Q114 T120 | Q114-P116 WeakPolarHBondContact O-CD 3.42Å; Q114-P116 WeakPolarHBondContact O-CG 3.11Å; P116-T120 WeakPolarHBondContact O-CB 3.31Å; P116-T120 PolarHBondContact O-N 3.34Å; P116-T120 PolarHBondContact O-OG1 3.5Å |
| 117 | S | 93.2 | Very high | 94.4 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.3 | -52.8 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | Y90 I115 F119 T120 V121 | Y90-S117 WeakPolarHBondContact CE1-OG 3.45Å; Y90-S117 VanDerWaalsContact OH-CB 3.23Å; Y90-S117 WeakPolarHBondContact OH-CB 3.22Å; Y90-S117 PolarHBondContact OH-OG 3.27Å; I115-S117 PolarHBondContact O-N 3.19Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.23Å; S117-T120 PolarHBondContact O-N 3.33Å; S117-V121 WeakPolarHBondContact O-CG2 3.34Å; S117-V121 PolarHBondContact O-N 2.89Å |
| 118 | I | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 175.5 | -56.6 | -179.5 | 0 | 0 | 0 | 110.3 | I87 Y90 L96 I106 A110 I115 T120 V121 C122 | I87-I118 HydrophobicContact CB-CD1 4.39Å; I87-I118 HydrophobicContact CG1-CD1 3.98Å; I87-I118 HydrophobicContact CG2-CD1 4.07Å; Y90-I118 HydrophobicContact CD1-CD1 3.5Å; Y90-I118 VanDerWaalsContact CD1-CD1 3.5Å; Y90-I118 HydrophobicContact CD1-CG1 3.53Å; Y90-I118 HydrophobicContact CE1-CD1 3.96Å; Y90-I118 HydrophobicContact CE1-CG1 3.47Å; Y90-I118 VanDerWaalsContact CE1-CG1 3.47Å; Y90-I118 HydrophobicContact CG-CD1 4.16Å; Y90-I118 HydrophobicContact CG-CG1 4.21Å; L96-I118 HydrophobicContact CD2-CB 4.42Å; L96-I118 HydrophobicContact CD2-CD1 4.15Å; L96-I118 HydrophobicContact CD2-CG1 4.02Å; L96-I118 HydrophobicContact CD2-CG2 3.72Å; I106-I118 HydrophobicContact CG2-CG2 3.56Å; A110-I118 HydrophobicContact CB-CB 3.87Å; A110-I118 HydrophobicContact CB-CG2 3.62Å; I115-I118 HydrophobicContact CB-CD1 4.43Å; I115-I118 HydrophobicContact CD1-CD1 4.29Å; I115-I118 HydrophobicContact CG2-CB 4.21Å; I115-I118 HydrophobicContact CG2-CD1 3.82Å; I115-I118 HydrophobicContact CG2-CG1 3.79Å; I118-T120 VanDerWaalsContact C-N 3.32Å; I118-T120 PolarHBondContact O-N 3.36Å; I118-V121 PolarHBondContact O-N 3.46Å; I118-C122 WeakPolarHBondContact O-CB 3.45Å; I118-C122 PolarHBondContact O-N 2.74Å; I118-C122 PolarHBondContact O-SG 3.03Å |
| 119 | F | 94.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.4 | -47.7 | 177.6 | -176.1 | -84 | 0 | 0 | 0 | 111.7 | F107 N111 I115 S117 V121 C122 V123 C147 | F107-F119 HydrophobicContact CD2-CD2 4.01Å; F107-F119 HydrophobicContact CD2-CE2 4.36Å; F107-F119 HydrophobicContact CD2-CG 4.47Å; F107-F119 HydrophobicContact CE2-CD1 4.28Å; F107-F119 AromaticContact CE2-CD2 3.4Å; F107-F119 HydrophobicContact CE2-CD2 3.4Å; F107-F119 HydrophobicContact CE2-CE1 4.31Å; F107-F119 AromaticContact CE2-CE2 3.43Å; F107-F119 HydrophobicContact CE2-CE2 3.43Å; F107-F119 VanDerWaalsContact CE2-CE2 3.43Å; F107-F119 AromaticContact CE2-CG 3.86Å; F107-F119 HydrophobicContact CE2-CG 3.86Å; F107-F119 AromaticContact CE2-CZ 3.92Å; F107-F119 HydrophobicContact CE2-CZ 3.92Å; F107-F119 HydrophobicContact CZ-CD2 4.28Å; F107-F119 AromaticContact CZ-CE2 3.85Å; F107-F119 HydrophobicContact CZ-CE2 3.85Å; F107-F119 HydrophobicContact CZ-CZ 4.1Å; N111-F119 HydrophobicContact CB-CD2 4.08Å; N111-F119 HydrophobicContact CB-CE2 4.03Å; N111-F119 WeakPolarHBondContact OD1-CE2 3.32Å; I115-F119 WeakPolarHBondContact O-CB 3.26Å; I115-F119 PolarHBondContact O-N 3.23Å; I115-F119 VanDerWaalsContact O-N 3.08Å; S117-F119 VanDerWaalsContact C-N 3.33Å; S117-F119 PolarHBondContact O-N 3.23Å; F119-V121 PolarHBondContact O-N 3.2Å; F119-C122 PolarHBondContact O-N 2.89Å; F119-V123 HydrophobicContact CD1-CG2 4.19Å; F119-V123 HydrophobicContact CE1-CG2 3.95Å; F119-V123 HydrophobicContact CZ-CG2 4.44Å; F119-V123 WeakPolarHBondContact O-CG2 3.39Å; F119-V123 PolarHBondContact O-N 2.91Å; F119-C147 HydrophobicContact CZ-CB 4.06Å; F119-C147 VanDerWaalsContact CZ-SG 3.59Å |
| 120 | T | 93.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | P116 S117 I118 S124 | P116-T120 WeakPolarHBondContact O-CB 3.31Å; P116-T120 PolarHBondContact O-N 3.34Å; P116-T120 PolarHBondContact O-OG1 3.5Å; S117-T120 PolarHBondContact O-N 3.33Å; I118-T120 VanDerWaalsContact C-N 3.32Å; I118-T120 PolarHBondContact O-N 3.36Å; T120-S124 WeakPolarHBondContact O-CB 3.42Å; T120-S124 PolarHBondContact O-N 2.89Å |
| 121 | V | 94.5 | Very high | 94.3 | Very high | 79 Ų | 79 | 52.8 Ų | 52.8 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.9 | I98 S117 I118 F119 S124 F125 | I98-V121 HydrophobicContact CD1-CB 4.19Å; I98-V121 HydrophobicContact CD1-CG1 3.6Å; S117-V121 WeakPolarHBondContact O-CG2 3.34Å; S117-V121 PolarHBondContact O-N 2.89Å; I118-V121 PolarHBondContact O-N 3.46Å; F119-V121 PolarHBondContact O-N 3.2Å; V121-S124 PolarHBondContact O-N 2.87Å; V121-F125 WeakPolarHBondContact O-CB 3.43Å; V121-F125 PolarHBondContact O-N 2.97Å |
| 122 | C | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.1 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | V103 F107 I118 F119 S124 F125 L126 | V103-C122 HydrophobicContact CG2-CB 4.25Å; F107-C122 HydrophobicContact CB-CB 3.79Å; F107-C122 HydrophobicContact CD2-CB 3.46Å; F107-C122 VanDerWaalsContact CD2-CB 3.46Å; F107-C122 HydrophobicContact CE2-CB 4.26Å; F107-C122 HydrophobicContact CG-CB 3.82Å; I118-C122 WeakPolarHBondContact O-CB 3.45Å; I118-C122 PolarHBondContact O-N 2.74Å; I118-C122 PolarHBondContact O-SG 3.03Å; F119-C122 PolarHBondContact O-N 2.89Å; C122-S124 VanDerWaalsContact C-N 3.34Å; C122-S124 PolarHBondContact O-N 3Å; C122-F125 PolarHBondContact O-N 3.39Å; C122-L126 WeakPolarHBondContact O-CG 3.4Å; C122-L126 PolarHBondContact O-N 3.36Å |
| 123 | V | 95.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F107 F119 F125 L126 Q127 R149 | F107-V123 HydrophobicContact CE2-CG2 3.55Å; F107-V123 HydrophobicContact CZ-CG2 3.58Å; F119-V123 HydrophobicContact CD1-CG2 4.19Å; F119-V123 HydrophobicContact CE1-CG2 3.95Å; F119-V123 HydrophobicContact CZ-CG2 4.44Å; F119-V123 WeakPolarHBondContact O-CG2 3.39Å; F119-V123 PolarHBondContact O-N 2.91Å; V123-F125 PolarHBondContact O-N 3.32Å; V123-L126 PolarHBondContact O-N 2.85Å; V123-Q127 HydrophobicContact CG1-CG 4.22Å; V123-Q127 WeakPolarHBondContact O-CB 3.42Å; V123-Q127 VanDerWaalsContact O-CG 3.24Å; V123-Q127 WeakPolarHBondContact O-CG 3.3Å; V123-Q127 PolarHBondContact O-N 3.38Å; V123-R149 HydrophobicContact CG1-CG 4.23Å |
| 124 | S | 95.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | T120 V121 C122 K128 | T120-S124 WeakPolarHBondContact O-CB 3.42Å; T120-S124 PolarHBondContact O-N 2.89Å; V121-S124 PolarHBondContact O-N 2.87Å; C122-S124 VanDerWaalsContact C-N 3.34Å; C122-S124 PolarHBondContact O-N 3Å; S124-K128 WeakPolarHBondContact O-CB 3.38Å; S124-K128 VanDerWaalsContact O-CG 3.27Å; S124-K128 WeakPolarHBondContact O-CG 3.25Å; S124-K128 PolarHBondContact O-N 2.92Å |
| 125 | F | 95.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -50 | 176.5 | -177.3 | -83.5 | 0 | 0 | 0 | 111.5 | I98 E100 V103 V121 C122 V123 K128 R129 | I98-F125 HydrophobicContact CB-CD2 4.41Å; I98-F125 HydrophobicContact CG2-CB 4.36Å; I98-F125 HydrophobicContact CG2-CD1 4.04Å; I98-F125 HydrophobicContact CG2-CD2 3.86Å; I98-F125 HydrophobicContact CG2-CE1 4.28Å; I98-F125 HydrophobicContact CG2-CE2 4.1Å; I98-F125 HydrophobicContact CG2-CG 3.83Å; I98-F125 HydrophobicContact CG2-CZ 4.31Å; I98-F125 WeakPolarHBondContact O-CE2 3.45Å; E100-F125 HydrophobicContact CG-CE1 4.21Å; E100-F125 HydrophobicContact CG-CZ 4.15Å; V103-F125 HydrophobicContact CB-CD1 4.24Å; V103-F125 HydrophobicContact CB-CE1 4.3Å; V103-F125 HydrophobicContact CG1-CD1 4.37Å; V103-F125 HydrophobicContact CG1-CE1 4.21Å; V103-F125 HydrophobicContact CG2-CD1 3.91Å; V103-F125 HydrophobicContact CG2-CE1 4.46Å; V121-F125 WeakPolarHBondContact O-CB 3.43Å; V121-F125 PolarHBondContact O-N 2.97Å; C122-F125 PolarHBondContact O-N 3.39Å; V123-F125 PolarHBondContact O-N 3.32Å; F125-K128 PolarHBondContact O-N 3.34Å; F125-R129 HydrophobicContact CE1-CG 4.35Å; F125-R129 PolarHBondContact O-N 3.03Å |
| 126 | L | 95.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 179 | -69.5 | 171.7 | 0 | 0 | 0 | 111.8 | V103 F107 C122 V123 K128 R129 L130 I138 L141 L150 | V103-L126 HydrophobicContact CG1-CD2 3.76Å; V103-L126 HydrophobicContact CG2-CD1 4.24Å; V103-L126 HydrophobicContact CG2-CD2 4.03Å; V103-L126 HydrophobicContact CG2-CG 3.9Å; F107-L126 HydrophobicContact CD1-CD1 4.08Å; F107-L126 HydrophobicContact CE1-CD1 4.37Å; C122-L126 WeakPolarHBondContact O-CG 3.4Å; C122-L126 PolarHBondContact O-N 3.36Å; V123-L126 PolarHBondContact O-N 2.85Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 2.66Å; L126-R129 CarbonylContact O-C 3.6Å; L126-R129 PolarHBondContact O-N 3.21Å; L126-R129 VanDerWaalsContact O-N 3.13Å; L126-L130 PolarHBondContact O-N 2.88Å; L126-L130 VanDerWaalsContact O-N 3.16Å; L126-I138 HydrophobicContact CB-CD1 4.47Å; L126-I138 HydrophobicContact CB-CG2 4.46Å; L126-I138 HydrophobicContact CD2-CD1 4.16Å; L126-I138 HydrophobicContact CD2-CG1 4.35Å; L126-L141 HydrophobicContact CD1-CD2 4.06Å; L126-L150 HydrophobicContact CB-CD1 3.85Å; L126-L150 HydrophobicContact CD1-CD2 3.78Å |
| 127 | Q | 95.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.243 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.9 | -75.7 | -175.7 | -41.5 | 0 | 0 | 112 | V123 R129 R149 L150 A153 | V123-Q127 HydrophobicContact CG1-CG 4.22Å; V123-Q127 WeakPolarHBondContact O-CB 3.42Å; V123-Q127 VanDerWaalsContact O-CG 3.24Å; V123-Q127 WeakPolarHBondContact O-CG 3.3Å; V123-Q127 PolarHBondContact O-N 3.38Å; Q127-R129 PolarHBondContact O-N 3.46Å; Q127-R149 PolarHBondContact NE2-O 3.47Å; Q127-L150 HydrophobicContact CG-CD1 4.02Å; Q127-A153 HydrophobicContact CG-CB 4.17Å; Q127-A153 VanDerWaalsContact NE2-CB 3.34Å |
| 128 | K | 93.9 | Very high | 94.8 | Very high | 168 Ų | 168 | 50 Ų | 50 | 73% | 0.73 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.7 | -10.9 | 177.7 | -72.4 | 176.6 | -179.9 | -172.8 | 0 | 114.7 | S124 F125 L126 | S124-K128 WeakPolarHBondContact O-CB 3.38Å; S124-K128 VanDerWaalsContact O-CG 3.27Å; S124-K128 WeakPolarHBondContact O-CG 3.25Å; S124-K128 PolarHBondContact O-N 2.92Å; F125-K128 PolarHBondContact O-N 3.34Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-K128 PolarHBondContact O-N 2.66Å |
| 129 | R | 93.8 | Very high | 94.9 | Very high | 144 Ų | 144 | 50.1 Ų | 50.1 | 54% | 0.543 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 10.3 | -179.9 | -69.3 | -62.5 | -162.9 | -150.5 | 2.7 | 113.2 | E100 F125 L126 Q127 C131 N134 | E100-R129 IonicContact OE1-NE 3.99Å; F125-R129 HydrophobicContact CE1-CG 4.35Å; F125-R129 PolarHBondContact O-N 3.03Å; L126-R129 CarbonylContact O-C 3.6Å; L126-R129 PolarHBondContact O-N 3.21Å; L126-R129 VanDerWaalsContact O-N 3.13Å; Q127-R129 PolarHBondContact O-N 3.46Å; R129-C131 PolarHBondContact O-N 2.9Å; R129-N134 PolarHBondContact O-ND2 3.37Å |
| 130 | L | 94.5 | Very high | 95 | Very high | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | trans | -58.9 | 124.4 | 174 | -87.5 | 165.5 | 0 | 0 | 0 | 111.2 | L126 C135 I138 A153 A154 F157 | L126-L130 PolarHBondContact O-N 2.88Å; L126-L130 VanDerWaalsContact O-N 3.16Å; L130-C135 HydrophobicContact CD2-CB 4.23Å; L130-I138 HydrophobicContact CD2-CB 4.1Å; L130-I138 HydrophobicContact CD2-CD1 3.95Å; L130-I138 HydrophobicContact CD2-CG2 4Å; L130-I138 HydrophobicContact CG-CD1 4.35Å; L130-A153 HydrophobicContact CD1-CB 4.39Å; L130-A154 HydrophobicContact CD2-CB 3.95Å; L130-F157 HydrophobicContact CB-CD2 4.1Å; L130-F157 HydrophobicContact CB-CE2 4.32Å; L130-F157 HydrophobicContact CB-CG 4.47Å | ||
| 131 | C | 94.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | trans | -147.2 | 170.9 | 176.7 | 71.9 | 0 | 0 | 0 | 0 | 110.7 | R129 S133 N134 C135 | R129-C131 PolarHBondContact O-N 2.9Å; C131-S133 VanDerWaalsContact C-N 3.26Å; C131-S133 PolarHBondContact O-N 3.46Å; C131-S133 PolarHBondContact SG-OG 2.7Å; C131-N134 PolarHBondContact N-OD1 3.22Å; C131-N134 PolarHBondContact O-N 3.19Å; C131-N134 PolarHBondContact O-OD1 2.86Å; C131-N134 VanDerWaalsContact O-OD1 3.11Å; C131-N134 PolarHBondContact SG-ND2 2.84Å; C131-C135 VanDerWaalsContact O-CB 3.31Å; C131-C135 WeakPolarHBondContact O-CB 3.43Å; C131-C135 PolarHBondContact O-N 2.93Å | ||
| 132 | L | 93 | Very high | 95.1 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -38.3 | -176.5 | -70.4 | 172.4 | 0 | 0 | 0 | 113 | C135 F157 R161 L164 V165 | L132-C135 PolarHBondContact O-SG 2.91Å; L132-F157 HydrophobicContact CD2-CE1 4.33Å; L132-R161 HydrophobicContact CD2-CB 4.13Å; L132-L164 HydrophobicContact CD1-CD1 4.38Å; L132-L164 HydrophobicContact CD2-CB 4.47Å; L132-V165 HydrophobicContact CD2-CG2 3.8Å |
| 133 | S | 93.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 46.7 Ų | 46.7 | 72% | 0.72 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.3 | -176.7 | 56.5 | 0 | 0 | 0 | 0 | 115.5 | C131 | C131-S133 VanDerWaalsContact C-N 3.26Å; C131-S133 PolarHBondContact O-N 3.46Å; C131-S133 PolarHBondContact SG-OG 2.7Å |
| 134 | N | 94.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -10.5 | 178.5 | 72.1 | 16.1 | 0 | 0 | 0 | 114.4 | R129 C131 L136 A137 I138 | R129-N134 PolarHBondContact O-ND2 3.37Å; C131-N134 PolarHBondContact N-OD1 3.22Å; C131-N134 PolarHBondContact O-N 3.19Å; C131-N134 PolarHBondContact O-OD1 2.86Å; C131-N134 VanDerWaalsContact O-OD1 3.11Å; C131-N134 PolarHBondContact SG-ND2 2.84Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.03Å; N134-A137 PolarHBondContact O-N 3.14Å; N134-A137 VanDerWaalsContact O-N 3.1Å; N134-I138 HydrophobicContact CB-CD1 4.2Å; N134-I138 HydrophobicContact CB-CG1 4.47Å; N134-I138 WeakPolarHBondContact O-CG1 3.16Å; N134-I138 PolarHBondContact O-N 3.24Å; N134-I138 WeakPolarHBondContact OD1-CD1 3.45Å |
| 135 | C | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -40 | -174 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | L130 C131 L132 F139 F157 I158 | L130-C135 HydrophobicContact CD2-CB 4.23Å; C131-C135 VanDerWaalsContact O-CB 3.31Å; C131-C135 WeakPolarHBondContact O-CB 3.43Å; C131-C135 PolarHBondContact O-N 2.93Å; L132-C135 PolarHBondContact O-SG 2.91Å; C135-F139 VanDerWaalsContact O-CB 3.24Å; C135-F139 WeakPolarHBondContact O-CB 3.46Å; C135-F139 PolarHBondContact O-N 3.34Å; C135-F157 HydrophobicContact CB-CD1 3.56Å; C135-F157 HydrophobicContact CB-CE1 3.78Å; C135-I158 HydrophobicContact CB-CD1 4.43Å; C135-I158 HydrophobicContact CB-CG1 3.94Å |
| 136 | L | 96.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.4 | -61.6 | 177.2 | 0 | 0 | 0 | 112 | N134 F139 R140 I158 V165 E170 F171 L174 | N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.03Å; L136-F139 PolarHBondContact O-N 3.23Å; L136-R140 WeakPolarHBondContact O-CG 3.46Å; L136-R140 PolarHBondContact O-N 3.31Å; L136-I158 HydrophobicContact CD2-CD1 3.84Å; L136-I158 HydrophobicContact CD2-CG1 4.33Å; L136-V165 HydrophobicContact CD1-CG1 4.33Å; L136-V165 HydrophobicContact CD2-CG1 3.91Å; L136-V165 HydrophobicContact CG-CG1 4.2Å; L136-E170 HydrophobicContact CD1-CB 4.12Å; L136-E170 HydrophobicContact CD1-CG 4.48Å; L136-F171 HydrophobicContact CD1-CB 4.2Å; L136-F171 HydrophobicContact CD2-CD2 4.07Å; L136-L174 HydrophobicContact CD2-CD1 4.41Å; L136-L174 HydrophobicContact CD2-CD2 4.33Å |
| 137 | A | 94.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | N134 F139 R140 L141 | N134-A137 PolarHBondContact O-N 3.14Å; N134-A137 VanDerWaalsContact O-N 3.1Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.43Å; A137-R140 PolarHBondContact O-N 2.97Å; A137-L141 WeakPolarHBondContact O-CB 3.28Å; A137-L141 PolarHBondContact O-N 3.43Å |
| 138 | I | 96.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.7 | -65 | 177.3 | 0 | 0 | 0 | 111 | L126 L130 N134 L141 G142 L150 A154 | L126-I138 HydrophobicContact CB-CD1 4.47Å; L126-I138 HydrophobicContact CB-CG2 4.46Å; L126-I138 HydrophobicContact CD2-CD1 4.16Å; L126-I138 HydrophobicContact CD2-CG1 4.35Å; L130-I138 HydrophobicContact CD2-CB 4.1Å; L130-I138 HydrophobicContact CD2-CD1 3.95Å; L130-I138 HydrophobicContact CD2-CG2 4Å; L130-I138 HydrophobicContact CG-CD1 4.35Å; N134-I138 HydrophobicContact CB-CD1 4.2Å; N134-I138 HydrophobicContact CB-CG1 4.47Å; N134-I138 WeakPolarHBondContact O-CG1 3.16Å; N134-I138 PolarHBondContact O-N 3.24Å; N134-I138 WeakPolarHBondContact OD1-CD1 3.45Å; I138-L141 PolarHBondContact O-N 3.29Å; I138-G142 PolarHBondContact O-N 3.42Å; I138-L150 HydrophobicContact CG2-CD1 3.62Å; I138-L150 HydrophobicContact CG2-CD2 4.14Å; I138-L150 HydrophobicContact CG2-CG 3.83Å; I138-A154 HydrophobicContact CB-CB 4.47Å; I138-A154 HydrophobicContact CG2-CB 4.09Å |
| 139 | F | 97.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -51.4 | 173.1 | 176.9 | -120.3 | 0 | 0 | 0 | 111.8 | C135 L136 A137 L141 G142 L143 A151 A154 R155 I158 E178 A181 I182 | C135-F139 VanDerWaalsContact O-CB 3.24Å; C135-F139 WeakPolarHBondContact O-CB 3.46Å; C135-F139 PolarHBondContact O-N 3.34Å; L136-F139 PolarHBondContact O-N 3.23Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.43Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å; F139-G142 PolarHBondContact O-N 2.92Å; F139-L143 HydrophobicContact CD1-CD1 4.36Å; F139-L143 HydrophobicContact CE1-CD1 3.82Å; F139-L143 HydrophobicContact CE2-CD1 4.08Å; F139-L143 HydrophobicContact CE2-CD2 4.37Å; F139-L143 HydrophobicContact CE2-CG 4.2Å; F139-L143 HydrophobicContact CZ-CD1 3.67Å; F139-L143 HydrophobicContact CZ-CG 4.3Å; F139-L143 PolarHBondContact O-N 3.18Å; F139-A151 HydrophobicContact CD2-CB 4.39Å; F139-A151 WeakPolarHBondContact CD2-O 3.48Å; F139-A151 HydrophobicContact CE2-CB 4.45Å; F139-A154 HydrophobicContact CB-CB 3.79Å; F139-A154 HydrophobicContact CD2-CB 4.48Å; F139-R155 HydrophobicContact CD2-CB 3.98Å; F139-R155 HydrophobicContact CE2-CB 3.75Å; F139-R155 HydrophobicContact CE2-CG 4.27Å; F139-I158 HydrophobicContact CB-CD1 3.92Å; F139-I158 HydrophobicContact CD1-CD1 4.4Å; F139-I158 HydrophobicContact CG-CD1 4.16Å; F139-E178 HydrophobicContact CE1-CB 4.3Å; F139-A181 HydrophobicContact CZ-CB 3.95Å; F139-I182 HydrophobicContact CD1-CD1 4.03Å; F139-I182 HydrophobicContact CD1-CG1 4.46Å; F139-I182 HydrophobicContact CE1-CD1 3.7Å; F139-I182 HydrophobicContact CE1-CG1 3.83Å; F139-I182 HydrophobicContact CZ-CD1 4.4Å; F139-I182 HydrophobicContact CZ-CG1 4.02Å |
| 140 | R | 95.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 176 | -68 | -169.3 | -167.9 | 107 | -2.8 | 112.4 | L136 A137 G142 L143 M144 E170 E178 | L136-R140 WeakPolarHBondContact O-CG 3.46Å; L136-R140 PolarHBondContact O-N 3.31Å; A137-R140 PolarHBondContact O-N 2.97Å; R140-G142 VanDerWaalsContact C-N 3.35Å; R140-L143 PolarHBondContact O-N 3.03Å; R140-M144 VanDerWaalsContact O-CB 3.31Å; R140-M144 WeakPolarHBondContact O-CB 3.4Å; R140-M144 PolarHBondContact O-N 3.3Å; R140-E170 IonicContact CZ-OE1 3.68Å; R140-E170 IonicContact NH1-OE1 2.01Å; R140-E170 PolarHBondContact NH1-OE1 2.68Å; R140-E170 IonicContact NH2-OE1 2.8Å; R140-E178 WeakPolarHBondContact CD-OE1 3.19Å; R140-E178 WeakPolarHBondContact CG-OE1 3.26Å; R140-E178 IonicContact NE-OE1 3.59Å; R140-E178 IonicContact NE-OE2 2.83Å; R140-E178 PolarHBondContact NE-OE2 3.38Å |
| 141 | L | 94.7 | Very high | 94.7 | Very high | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.6 | -177.2 | 62.2 | 0 | 0 | 0 | 111.9 | Q104 F107 L126 A137 I138 F139 M144 L145 | Q104-L141 HydrophobicContact CB-CD2 4.39Å; Q104-L141 HydrophobicContact CG-CD1 3.96Å; Q104-L141 HydrophobicContact CG-CD2 4.1Å; F107-L141 HydrophobicContact CD1-CD2 4.17Å; F107-L141 HydrophobicContact CD1-CG 4.32Å; F107-L141 HydrophobicContact CE1-CG 4.49Å; L126-L141 HydrophobicContact CD1-CD2 4.06Å; A137-L141 WeakPolarHBondContact O-CB 3.28Å; A137-L141 PolarHBondContact O-N 3.43Å; I138-L141 PolarHBondContact O-N 3.29Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.83Å; L141-M144 PolarHBondContact O-N 3.13Å; L141-L145 HydrophobicContact CD1-CD1 3.58Å; L141-L145 HydrophobicContact CD1-CG 4.12Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 PolarHBondContact O-N 3.18Å; L141-L145 VanDerWaalsContact O-N 3.13Å |
| 142 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I138 F139 R140 D146 C147 | I138-G142 PolarHBondContact O-N 3.42Å; F139-G142 PolarHBondContact O-N 2.92Å; R140-G142 VanDerWaalsContact C-N 3.35Å; G142-D146 PolarHBondContact O-N 2.86Å; G142-C147 PolarHBondContact O-N 3.46Å |
| 143 | L | 94.6 | Very high | 95 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 174.5 | -65.3 | 176.9 | 0 | 0 | 0 | 112.2 | F139 R140 L145 D146 A151 E178 | F139-L143 HydrophobicContact CD1-CD1 4.36Å; F139-L143 HydrophobicContact CE1-CD1 3.82Å; F139-L143 HydrophobicContact CE2-CD1 4.08Å; F139-L143 HydrophobicContact CE2-CD2 4.37Å; F139-L143 HydrophobicContact CE2-CG 4.2Å; F139-L143 HydrophobicContact CZ-CD1 3.67Å; F139-L143 HydrophobicContact CZ-CG 4.3Å; F139-L143 PolarHBondContact O-N 3.18Å; R140-L143 PolarHBondContact O-N 3.03Å; L143-L145 PolarHBondContact O-N 3.43Å; L143-D146 PolarHBondContact O-N 2.85Å; L143-A151 HydrophobicContact CD2-CB 3.98Å; L143-A151 HydrophobicContact CG-CB 4.32Å; L143-E178 HydrophobicContact CD1-CG 3.98Å |
| 144 | M | 92.2 | Very high | 95.2 | Very high | 143 Ų | 143 | 42 Ų | 42 | 70% | 0.704 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.7 | -30.4 | -178.1 | -176.2 | -174.8 | -64.7 | 0 | 0 | 113.5 | R140 L141 | R140-M144 VanDerWaalsContact O-CB 3.31Å; R140-M144 WeakPolarHBondContact O-CB 3.4Å; R140-M144 PolarHBondContact O-N 3.3Å; L141-M144 PolarHBondContact O-N 3.13Å |
| 145 | L | 91.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 11.7 | -179.1 | -63.8 | 176.2 | 0 | 0 | 0 | 113.3 | F107 N111 L141 L143 C147 | F107-L145 HydrophobicContact CD1-CD1 3.33Å; F107-L145 HydrophobicContact CE1-CD1 3.45Å; F107-L145 VanDerWaalsContact CE1-CD1 3.45Å; F107-L145 HydrophobicContact CG-CD1 4.09Å; F107-L145 HydrophobicContact CZ-CD1 4.29Å; N111-L145 HydrophobicContact CB-CD2 4.42Å; N111-L145 PolarHBondContact ND2-O 3.33Å; L141-L145 HydrophobicContact CD1-CD1 3.58Å; L141-L145 HydrophobicContact CD1-CG 4.12Å; L141-L145 HydrophobicContact CG-CD1 4.06Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 PolarHBondContact O-N 3.18Å; L141-L145 VanDerWaalsContact O-N 3.13Å; L143-L145 PolarHBondContact O-N 3.43Å; L145-C147 PolarHBondContact O-N 3.44Å |
| 146 | D | 92.1 | Very high | 95.3 | Very high | 154 Ų | 154 | 45.4 Ų | 45.4 | 82% | 0.824 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 24 | -173.7 | -69.4 | -49.5 | 0 | 0 | 0 | 114 | G142 L143 A148 | G142-D146 PolarHBondContact O-N 2.86Å; L143-D146 PolarHBondContact O-N 2.85Å; D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.11Å |
| 147 | C | 94.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -84.3 | 76.1 | 179.8 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | F107 F119 G142 L145 R149 L150 A151 | F107-C147 HydrophobicContact CZ-CB 4Å; F119-C147 HydrophobicContact CZ-CB 4.06Å; F119-C147 VanDerWaalsContact CZ-SG 3.59Å; G142-C147 PolarHBondContact O-N 3.46Å; L145-C147 PolarHBondContact O-N 3.44Å; C147-R149 PolarHBondContact O-N 3Å; C147-R149 VanDerWaalsContact O-N 3.11Å; C147-L150 HydrophobicContact CB-CB 4.11Å; C147-L150 PolarHBondContact O-N 2.96Å; C147-L150 VanDerWaalsContact SG-CB 3.57Å; C147-A151 PolarHBondContact O-N 2.93Å | ||
| 148 | A | 93.8 | Very high | 95.4 | Very high | 68 Ų | 68 | 44 Ų | 44 | 56% | 0.562 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -50 | -39.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D146 L150 A151 V152 | D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.11Å; A148-L150 PolarHBondContact O-N 2.84Å; A148-A151 PolarHBondContact O-N 3.05Å; A148-V152 VanDerWaalsContact O-CB 3.29Å; A148-V152 WeakPolarHBondContact O-CB 3.32Å; A148-V152 VanDerWaalsContact O-CG2 3.24Å; A148-V152 WeakPolarHBondContact O-CG2 3.25Å; A148-V152 PolarHBondContact O-N 2.94Å |
| 149 | R | 94.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 43.5 Ų | 43.5 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.4 | 173.4 | 178.6 | 161.9 | 174.2 | -0.8 | 113 | V123 Q127 C147 A153 | V123-R149 HydrophobicContact CG1-CG 4.23Å; Q127-R149 PolarHBondContact NE2-O 3.47Å; C147-R149 PolarHBondContact O-N 3Å; C147-R149 VanDerWaalsContact O-N 3.11Å; R149-A153 WeakPolarHBondContact O-CB 3.21Å; R149-A153 PolarHBondContact O-N 3.37Å |
| 150 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.5 | -43.7 | 179.2 | -175.3 | 65.3 | 0 | 0 | 0 | 110.8 | F107 L126 Q127 I138 C147 A148 A153 A154 | F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CZ-CD2 4.12Å; L126-L150 HydrophobicContact CB-CD1 3.85Å; L126-L150 HydrophobicContact CD1-CD2 3.78Å; Q127-L150 HydrophobicContact CG-CD1 4.02Å; I138-L150 HydrophobicContact CG2-CD1 3.62Å; I138-L150 HydrophobicContact CG2-CD2 4.14Å; I138-L150 HydrophobicContact CG2-CG 3.83Å; C147-L150 HydrophobicContact CB-CB 4.11Å; C147-L150 PolarHBondContact O-N 2.96Å; C147-L150 VanDerWaalsContact SG-CB 3.57Å; A148-L150 PolarHBondContact O-N 2.84Å; L150-A153 PolarHBondContact O-N 3.36Å; L150-A154 WeakPolarHBondContact O-CB 3.35Å; L150-A154 PolarHBondContact O-N 2.86Å |
| 151 | A | 96.6 | Very high | 95 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F139 L143 C147 A148 A154 R155 | F139-A151 HydrophobicContact CD2-CB 4.39Å; F139-A151 WeakPolarHBondContact CD2-O 3.48Å; F139-A151 HydrophobicContact CE2-CB 4.45Å; L143-A151 HydrophobicContact CD2-CB 3.98Å; L143-A151 HydrophobicContact CG-CB 4.32Å; C147-A151 PolarHBondContact O-N 2.93Å; A148-A151 PolarHBondContact O-N 3.05Å; A151-A154 PolarHBondContact O-N 3.02Å; A151-R155 WeakPolarHBondContact O-CB 3.49Å; A151-R155 PolarHBondContact O-N 2.89Å |
| 152 | V | 96.1 | Very high | 95 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.4 | -49.1 | 176.3 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | A148 A154 R155 D156 | A148-V152 VanDerWaalsContact O-CB 3.29Å; A148-V152 WeakPolarHBondContact O-CB 3.32Å; A148-V152 VanDerWaalsContact O-CG2 3.24Å; A148-V152 WeakPolarHBondContact O-CG2 3.25Å; A148-V152 PolarHBondContact O-N 2.94Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 2.82Å; V152-R155 PolarHBondContact O-N 2.72Å; V152-D156 VanDerWaalsContact CG1-OD2 3.24Å; V152-D156 WeakPolarHBondContact CG1-OD2 3.48Å; V152-D156 WeakPolarHBondContact O-CB 3.31Å; V152-D156 PolarHBondContact O-N 2.77Å |
| 153 | A | 96.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q127 L130 R149 L150 F157 | Q127-A153 HydrophobicContact CG-CB 4.17Å; Q127-A153 VanDerWaalsContact NE2-CB 3.34Å; L130-A153 HydrophobicContact CD1-CB 4.39Å; R149-A153 WeakPolarHBondContact O-CB 3.21Å; R149-A153 PolarHBondContact O-N 3.37Å; L150-A153 PolarHBondContact O-N 3.36Å; A153-F157 WeakPolarHBondContact O-CB 3.24Å; A153-F157 PolarHBondContact O-N 3Å; A153-F157 VanDerWaalsContact O-N 3.12Å |
| 154 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L130 I138 F139 L150 A151 V152 F157 I158 | L130-A154 HydrophobicContact CD2-CB 3.95Å; I138-A154 HydrophobicContact CB-CB 4.47Å; I138-A154 HydrophobicContact CG2-CB 4.09Å; F139-A154 HydrophobicContact CB-CB 3.79Å; F139-A154 HydrophobicContact CD2-CB 4.48Å; L150-A154 WeakPolarHBondContact O-CB 3.35Å; L150-A154 PolarHBondContact O-N 2.86Å; A151-A154 PolarHBondContact O-N 3.02Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 2.82Å; A154-F157 PolarHBondContact O-N 3.33Å; A154-I158 WeakPolarHBondContact O-CD1 3.43Å; A154-I158 VanDerWaalsContact O-CG1 3.22Å; A154-I158 WeakPolarHBondContact O-CG1 3.29Å; A154-I158 PolarHBondContact O-N 2.6Å |
| 155 | R | 97.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.6 | -176.9 | -158.9 | 63.4 | -172.2 | -1.7 | 111.4 | F139 A151 V152 I158 C159 A181 I182 | F139-R155 HydrophobicContact CD2-CB 3.98Å; F139-R155 HydrophobicContact CE2-CB 3.75Å; F139-R155 HydrophobicContact CE2-CG 4.27Å; A151-R155 WeakPolarHBondContact O-CB 3.49Å; A151-R155 PolarHBondContact O-N 2.89Å; V152-R155 PolarHBondContact O-N 2.72Å; R155-I158 CarbonylContact O-C 3.57Å; R155-I158 WeakPolarHBondContact O-CB 3.24Å; R155-I158 PolarHBondContact O-N 3.23Å; R155-I158 VanDerWaalsContact O-N 3.14Å; R155-C159 WeakPolarHBondContact O-CB 3.42Å; R155-C159 PolarHBondContact O-N 3.06Å; R155-C159 PolarHBondContact O-SG 3.36Å; R155-A181 VanDerWaalsContact CD-O 3.25Å; R155-A181 WeakPolarHBondContact CD-O 3.31Å; R155-I182 HydrophobicContact CG-CG1 4.28Å |
| 156 | D | 95.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 42 Ų | 42 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.4 | -39.6 | -176.8 | -62.6 | -10.9 | 0 | 0 | 0 | 110 | V152 I158 C159 D160 | V152-D156 VanDerWaalsContact CG1-OD2 3.24Å; V152-D156 WeakPolarHBondContact CG1-OD2 3.48Å; V152-D156 WeakPolarHBondContact O-CB 3.31Å; V152-D156 PolarHBondContact O-N 2.77Å; D156-I158 VanDerWaalsContact C-N 3.33Å; D156-I158 PolarHBondContact O-N 2.97Å; D156-C159 PolarHBondContact O-N 3.37Å; D156-C159 VanDerWaalsContact O-N 3.15Å; D156-D160 PolarHBondContact O-N 3.43Å |
| 157 | F | 96.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 168.6 | -179 | -80.3 | 0 | 0 | 0 | 113 | L130 L132 C135 A153 A154 R161 | L130-F157 HydrophobicContact CB-CD2 4.1Å; L130-F157 HydrophobicContact CB-CE2 4.32Å; L130-F157 HydrophobicContact CB-CG 4.47Å; L132-F157 HydrophobicContact CD2-CE1 4.33Å; C135-F157 HydrophobicContact CB-CD1 3.56Å; C135-F157 HydrophobicContact CB-CE1 3.78Å; A153-F157 WeakPolarHBondContact O-CB 3.24Å; A153-F157 PolarHBondContact O-N 3Å; A153-F157 VanDerWaalsContact O-N 3.12Å; A154-F157 PolarHBondContact O-N 3.33Å; F157-R161 VanDerWaalsContact CD2-NH1 3.33Å; F157-R161 VanDerWaalsContact CE2-CZ 3.43Å; F157-R161 PolarHBondContact O-N 3.05Å |
| 158 | I | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 174.9 | -68.6 | 157.4 | 0 | 0 | 0 | 110.8 | C135 L136 F139 A154 R155 D156 R161 F162 V165 I182 | C135-I158 HydrophobicContact CB-CD1 4.43Å; C135-I158 HydrophobicContact CB-CG1 3.94Å; L136-I158 HydrophobicContact CD2-CD1 3.84Å; L136-I158 HydrophobicContact CD2-CG1 4.33Å; F139-I158 HydrophobicContact CB-CD1 3.92Å; F139-I158 HydrophobicContact CD1-CD1 4.4Å; F139-I158 HydrophobicContact CG-CD1 4.16Å; A154-I158 WeakPolarHBondContact O-CD1 3.43Å; A154-I158 VanDerWaalsContact O-CG1 3.22Å; A154-I158 WeakPolarHBondContact O-CG1 3.29Å; A154-I158 PolarHBondContact O-N 2.6Å; R155-I158 CarbonylContact O-C 3.57Å; R155-I158 WeakPolarHBondContact O-CB 3.24Å; R155-I158 PolarHBondContact O-N 3.23Å; R155-I158 VanDerWaalsContact O-N 3.14Å; D156-I158 VanDerWaalsContact C-N 3.33Å; D156-I158 PolarHBondContact O-N 2.97Å; I158-R161 CarbonylContact O-C 2.96Å; I158-R161 PolarHBondContact O-N 2.94Å; I158-F162 WeakPolarHBondContact O-CA 3.45Å; I158-F162 PolarHBondContact O-N 2.83Å; I158-V165 HydrophobicContact CG2-CB 4.44Å; I158-V165 HydrophobicContact CG2-CG1 4.13Å; I158-I182 HydrophobicContact CD1-CD1 4.26Å; I158-I182 HydrophobicContact CG2-CD1 4.22Å; I158-I182 HydrophobicContact CG2-CG1 4.46Å; I158-I182 HydrophobicContact CG2-CG2 3.85Å |
| 159 | C | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | -179.5 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | R155 D156 R161 F162 S187 L188 N189 | R155-C159 WeakPolarHBondContact O-CB 3.42Å; R155-C159 PolarHBondContact O-N 3.06Å; R155-C159 PolarHBondContact O-SG 3.36Å; D156-C159 PolarHBondContact O-N 3.37Å; D156-C159 VanDerWaalsContact O-N 3.15Å; C159-R161 PolarHBondContact O-N 2.88Å; C159-F162 WeakPolarHBondContact O-CB 3.4Å; C159-F162 PolarHBondContact O-N 3.21Å; C159-S187 WeakPolarHBondContact CB-O 3.34Å; C159-L188 HydrophobicContact CB-CD1 4.4Å; C159-N189 WeakPolarHBondContact O-CB 3.4Å; C159-N189 PolarHBondContact O-N 2.8Å |
| 160 | D | 92.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -35.1 | 174.4 | -81.2 | -29 | 0 | 0 | 0 | 112.5 | D156 N189 L386 R615 | D156-D160 PolarHBondContact O-N 3.43Å; D160-N189 WeakPolarHBondContact O-CB 3.24Å; D160-N189 PolarHBondContact O-ND2 3.14Å; D160-L386 HydrophobicContact CB-CD2 4.09Å; D160-R615 IonicContact OD1-CZ 3.73Å; D160-R615 IonicContact OD1-NH2 3.86Å; D160-R615 PolarHBondContact OD1-NH2 2.62Å |
| 161 | R | 93.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 21.1 | -172.2 | -62.8 | 169.6 | -177.7 | 77.5 | -5.1 | 112.6 | L132 F157 I158 C159 A163 L164 V165 | L132-R161 HydrophobicContact CD2-CB 4.13Å; F157-R161 VanDerWaalsContact CD2-NH1 3.33Å; F157-R161 VanDerWaalsContact CE2-CZ 3.43Å; F157-R161 PolarHBondContact O-N 3.05Å; I158-R161 CarbonylContact O-C 2.96Å; I158-R161 PolarHBondContact O-N 2.94Å; C159-R161 PolarHBondContact O-N 2.88Å; R161-A163 VanDerWaalsContact C-N 3.3Å; R161-A163 PolarHBondContact O-N 3.44Å; R161-L164 WeakPolarHBondContact O-CB 3.02Å; R161-L164 PolarHBondContact O-N 3.44Å; R161-V165 HydrophobicContact CB-CG2 4.29Å; R161-V165 PolarHBondContact O-N 3.49Å; R161-V165 VanDerWaalsContact O-N 3.07Å |
| 162 | F | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -39.4 | -167.1 | -176.2 | -100.6 | 0 | 0 | 0 | 113.5 | I158 C159 L164 V165 S166 F171 I182 I183 L188 I190 V199 | I158-F162 WeakPolarHBondContact O-CA 3.45Å; I158-F162 PolarHBondContact O-N 2.83Å; C159-F162 WeakPolarHBondContact O-CB 3.4Å; C159-F162 PolarHBondContact O-N 3.21Å; F162-L164 PolarHBondContact O-N 2.94Å; F162-V165 PolarHBondContact O-N 2.85Å; F162-S166 VanDerWaalsContact O-CB 3.27Å; F162-S166 WeakPolarHBondContact O-CB 3.29Å; F162-S166 PolarHBondContact O-N 3.44Å; F162-S166 PolarHBondContact O-OG 2.7Å; F162-F171 HydrophobicContact CE2-CE2 4Å; F162-F171 AromaticContact CE2-CZ 3.67Å; F162-F171 HydrophobicContact CE2-CZ 3.67Å; F162-F171 HydrophobicContact CZ-CZ 4.22Å; F162-I182 HydrophobicContact CD2-CG2 4.11Å; F162-I182 HydrophobicContact CE2-CG2 4Å; F162-I183 HydrophobicContact CE2-CG2 4.09Å; F162-I183 HydrophobicContact CZ-CG2 4.05Å; F162-L188 HydrophobicContact CB-CD1 3.94Å; F162-L188 HydrophobicContact CD1-CD1 4.14Å; F162-L188 HydrophobicContact CD1-CG 4.36Å; F162-L188 HydrophobicContact CD2-CD1 3.48Å; F162-L188 VanDerWaalsContact CD2-CD1 3.48Å; F162-L188 HydrophobicContact CE2-CD1 3.92Å; F162-L188 HydrophobicContact CG-CD1 3.58Å; F162-L188 HydrophobicContact CG-CG 4.24Å; F162-L188 HydrophobicContact CZ-CD1 4.41Å; F162-I190 HydrophobicContact CD1-CG2 3.59Å; F162-I190 HydrophobicContact CE1-CG2 4.2Å; F162-V199 HydrophobicContact CE1-CG2 4.31Å; F162-V199 HydrophobicContact CZ-CG1 4.16Å; F162-V199 HydrophobicContact CZ-CG2 4.37Å |
| 163 | A | 89.5 | Confident | 94.2 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 41% | 0.405 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -16.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | R161 R167 | R161-A163 VanDerWaalsContact C-N 3.3Å; R161-A163 PolarHBondContact O-N 3.44Å; A163-R167 WeakPolarHBondContact O-CG 3.36Å; A163-R167 PolarHBondContact O-NE 3.34Å |
| 164 | L | 90.9 | Very high | 94.1 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -95.5 | -50.3 | 171.2 | -63.8 | 175.5 | 0 | 0 | 0 | 110.9 | L132 R161 F162 S166 R167 | L132-L164 HydrophobicContact CD1-CD1 4.38Å; L132-L164 HydrophobicContact CD2-CB 4.47Å; R161-L164 WeakPolarHBondContact O-CB 3.02Å; R161-L164 PolarHBondContact O-N 3.44Å; F162-L164 PolarHBondContact O-N 2.94Å; L164-S166 VanDerWaalsContact C-N 3.32Å; L164-S166 PolarHBondContact O-N 3.38Å; L164-R167 WeakPolarHBondContact O-CB 3.33Å; L164-R167 PolarHBondContact O-N 2.61Å |
| 165 | V | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | -176.7 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | L132 L136 I158 R161 F162 R167 D168 F171 | L132-V165 HydrophobicContact CD2-CG2 3.8Å; L136-V165 HydrophobicContact CD1-CG1 4.33Å; L136-V165 HydrophobicContact CD2-CG1 3.91Å; L136-V165 HydrophobicContact CG-CG1 4.2Å; I158-V165 HydrophobicContact CG2-CB 4.44Å; I158-V165 HydrophobicContact CG2-CG1 4.13Å; R161-V165 HydrophobicContact CB-CG2 4.29Å; R161-V165 PolarHBondContact O-N 3.49Å; R161-V165 VanDerWaalsContact O-N 3.07Å; F162-V165 PolarHBondContact O-N 2.85Å; V165-R167 PolarHBondContact O-N 3.31Å; V165-R167 VanDerWaalsContact O-N 3.12Å; V165-D168 WeakPolarHBondContact O-CB 3.41Å; V165-D168 PolarHBondContact O-N 3.4Å; V165-D168 VanDerWaalsContact O-N 3.14Å; V165-F171 HydrophobicContact CG1-CD2 3.92Å; V165-F171 WeakPolarHBondContact O-CB 3.36Å |
| 166 | S | 94.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -6 | 176.4 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | F162 L164 Y172 | F162-S166 VanDerWaalsContact O-CB 3.27Å; F162-S166 WeakPolarHBondContact O-CB 3.29Å; F162-S166 PolarHBondContact O-N 3.44Å; F162-S166 PolarHBondContact O-OG 2.7Å; L164-S166 VanDerWaalsContact C-N 3.32Å; L164-S166 PolarHBondContact O-N 3.38Å; S166-Y172 WeakPolarHBondContact O-CE2 3.22Å; S166-Y172 VanDerWaalsContact O-CZ 3.23Å; S166-Y172 PolarHBondContact O-OH 3.18Å |
| 167 | R | 92.2 | Very high | 93.8 | Very high | 180 Ų | 180 | 51.7 Ų | 51.7 | 68% | 0.679 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -23.4 | 172.3 | -56.8 | -179.8 | -171.9 | -166.9 | -1.8 | 112.4 | A163 L164 V165 | A163-R167 WeakPolarHBondContact O-CG 3.36Å; A163-R167 PolarHBondContact O-NE 3.34Å; L164-R167 WeakPolarHBondContact O-CB 3.33Å; L164-R167 PolarHBondContact O-N 2.61Å; V165-R167 PolarHBondContact O-N 3.31Å; V165-R167 VanDerWaalsContact O-N 3.12Å |
| 168 | D | 92.8 | Very high | 93.8 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -71.8 | 142.8 | -179.3 | -156.3 | -51.2 | 0 | 0 | 0 | 111.3 | V165 E170 F171 Y172 | V165-D168 WeakPolarHBondContact O-CB 3.41Å; V165-D168 PolarHBondContact O-N 3.4Å; V165-D168 VanDerWaalsContact O-N 3.14Å; D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.5Å; D168-E170 PolarHBondContact OD1-N 3.16Å; D168-F171 WeakPolarHBondContact O-CB 3.38Å; D168-F171 PolarHBondContact O-N 2.93Å; D168-Y172 WeakPolarHBondContact O-CD2 3.46Å; D168-Y172 VanDerWaalsContact O-CE2 3.31Å; D168-Y172 WeakPolarHBondContact O-CE2 3.09Å |
| 169 | E | 91.2 | Very high | 93.7 | Very high | 113 Ų | 113 | 52 Ų | 52 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.6 | 174.5 | -70 | -62.6 | 131.4 | 0 | 0 | 112.3 | F171 Y172 K202 | E169-F171 VanDerWaalsContact C-N 3.33Å; E169-Y172 PolarHBondContact O-N 2.91Å; E169-K202 WeakPolarHBondContact OE1-CE 3.39Å; E169-K202 IonicContact OE1-NZ 3.13Å; E169-K202 PolarHBondContact OE1-NZ 3.28Å |
| 170 | E | 92.7 | Very high | 93.8 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31.1 | 172.3 | -152.6 | -152.1 | 136.5 | 0 | 0 | 112.7 | L136 R140 D168 Y172 Q173 | L136-E170 HydrophobicContact CD1-CB 4.12Å; L136-E170 HydrophobicContact CD1-CG 4.48Å; R140-E170 IonicContact CZ-OE1 3.68Å; R140-E170 IonicContact NH1-OE1 2.01Å; R140-E170 PolarHBondContact NH1-OE1 2.68Å; R140-E170 IonicContact NH2-OE1 2.8Å; D168-E170 VanDerWaalsContact C-N 3.28Å; D168-E170 PolarHBondContact O-N 3.5Å; D168-E170 PolarHBondContact OD1-N 3.16Å; E170-Y172 PolarHBondContact O-N 3.36Å; E170-Q173 VanDerWaalsContact O-CB 3.31Å; E170-Q173 WeakPolarHBondContact O-CB 3.09Å; E170-Q173 PolarHBondContact O-N 2.71Å |
| 171 | F | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.9 | -38.7 | 173.9 | -177.1 | -90.1 | 0 | 0 | 0 | 111.1 | L136 F162 V165 D168 E169 Q173 L174 L179 I182 V199 | L136-F171 HydrophobicContact CD1-CB 4.2Å; L136-F171 HydrophobicContact CD2-CD2 4.07Å; F162-F171 HydrophobicContact CE2-CE2 4Å; F162-F171 AromaticContact CE2-CZ 3.67Å; F162-F171 HydrophobicContact CE2-CZ 3.67Å; F162-F171 HydrophobicContact CZ-CZ 4.22Å; V165-F171 HydrophobicContact CG1-CD2 3.92Å; V165-F171 WeakPolarHBondContact O-CB 3.36Å; D168-F171 WeakPolarHBondContact O-CB 3.38Å; D168-F171 PolarHBondContact O-N 2.93Å; E169-F171 VanDerWaalsContact C-N 3.33Å; F171-Q173 PolarHBondContact O-N 3.19Å; F171-Q173 VanDerWaalsContact O-N 3.16Å; F171-L174 HydrophobicContact CD1-CD1 4.45Å; F171-L174 HydrophobicContact CD2-CD1 3.63Å; F171-L174 HydrophobicContact CE1-CD1 4.34Å; F171-L174 HydrophobicContact CE2-CD1 3.54Å; F171-L174 HydrophobicContact CG-CD1 4.1Å; F171-L174 HydrophobicContact CZ-CD1 3.91Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 VanDerWaalsContact O-CD1 3.3Å; F171-L174 WeakPolarHBondContact O-CD1 3.32Å; F171-L174 WeakPolarHBondContact O-CG 3.38Å; F171-L174 PolarHBondContact O-N 2.97Å; F171-L179 HydrophobicContact CE1-CD1 3.72Å; F171-L179 HydrophobicContact CZ-CD1 3.6Å; F171-I182 HydrophobicContact CE2-CD1 4.24Å; F171-V199 HydrophobicContact CD1-CG1 4.31Å; F171-V199 HydrophobicContact CE1-CG1 3.49Å; F171-V199 VanDerWaalsContact CE1-CG1 3.49Å; F171-V199 HydrophobicContact CZ-CG1 4.25Å |
| 172 | Y | 94.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -74.9 | 0.1 | 177.2 | -57.5 | -79.2 | 0 | 0 | 0 | 113.4 | S166 D168 E169 E170 V199 K202 W203 R212 | S166-Y172 WeakPolarHBondContact O-CE2 3.22Å; S166-Y172 VanDerWaalsContact O-CZ 3.23Å; S166-Y172 PolarHBondContact O-OH 3.18Å; D168-Y172 WeakPolarHBondContact O-CD2 3.46Å; D168-Y172 VanDerWaalsContact O-CE2 3.31Å; D168-Y172 WeakPolarHBondContact O-CE2 3.09Å; E169-Y172 PolarHBondContact O-N 2.91Å; E170-Y172 PolarHBondContact O-N 3.36Å; Y172-V199 HydrophobicContact CE1-CG1 4.24Å; Y172-K202 HydrophobicContact CD1-CB 4.27Å; Y172-K202 HydrophobicContact CD1-CD 4.27Å; Y172-K202 HydrophobicContact CD1-CG 3.9Å; Y172-K202 HydrophobicContact CD2-CD 4.43Å; Y172-K202 HydrophobicContact CE1-CB 3.7Å; Y172-K202 HydrophobicContact CE1-CD 3.65Å; Y172-K202 HydrophobicContact CE1-CG 3.56Å; Y172-K202 HydrophobicContact CE2-CD 3.89Å; Y172-K202 VanDerWaalsContact CE2-CE 3.49Å; Y172-K202 VanDerWaalsContact CZ-CD 3.46Å; Y172-W203 HydrophobicContact CD1-CB 3.95Å; Y172-R212 PolarHBondContact O-NH1 2.91Å; Y172-R212 PolarHBondContact O-NH2 2.71Å |
| 173 | Q | 93.3 | Very high | 94.2 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -89.4 | -10.4 | 171.8 | -57.3 | 180 | 39.5 | 0 | 0 | 113 | E170 F171 | E170-Q173 VanDerWaalsContact O-CB 3.31Å; E170-Q173 WeakPolarHBondContact O-CB 3.09Å; E170-Q173 PolarHBondContact O-N 2.71Å; F171-Q173 PolarHBondContact O-N 3.19Å; F171-Q173 VanDerWaalsContact O-N 3.16Å |
| 174 | L | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -53 | 144 | 177.3 | -65.6 | 167.1 | 0 | 0 | 0 | 112.8 | L136 F171 E178 L179 I182 W203 R212 | L136-L174 HydrophobicContact CD2-CD1 4.41Å; L136-L174 HydrophobicContact CD2-CD2 4.33Å; F171-L174 HydrophobicContact CD1-CD1 4.45Å; F171-L174 HydrophobicContact CD2-CD1 3.63Å; F171-L174 HydrophobicContact CE1-CD1 4.34Å; F171-L174 HydrophobicContact CE2-CD1 3.54Å; F171-L174 HydrophobicContact CG-CD1 4.1Å; F171-L174 HydrophobicContact CZ-CD1 3.91Å; F171-L174 WeakPolarHBondContact O-CB 3.39Å; F171-L174 VanDerWaalsContact O-CD1 3.3Å; F171-L174 WeakPolarHBondContact O-CD1 3.32Å; F171-L174 WeakPolarHBondContact O-CG 3.38Å; F171-L174 PolarHBondContact O-N 2.97Å; L174-E178 VanDerWaalsContact CA-OE2 3.25Å; L174-E178 WeakPolarHBondContact CA-OE2 3.31Å; L174-E178 HydrophobicContact CB-CB 4.07Å; L174-E178 HydrophobicContact CD2-CB 3.93Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.18Å; L174-L179 HydrophobicContact CB-CB 4.43Å; L174-L179 HydrophobicContact CD1-CD1 4.46Å; L174-I182 HydrophobicContact CD1-CD1 3.77Å; L174-W203 PolarHBondContact O-NE1 3.47Å; L174-R212 PolarHBondContact O-NH2 3.32Å | ||
| 175 | S | 94.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | trans | -67.1 | 166.2 | 170.5 | 84.8 | 0 | 0 | 0 | 0 | 111.5 | D177 E178 L179 | S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 PolarHBondContact O-N 2.89Å; S175-E178 PolarHBondContact N-OE2 2.89Å; S175-E178 PolarHBondContact O-N 2.89Å; S175-E178 WeakPolarHBondContact OG-CB 3.48Å; S175-E178 VanDerWaalsContact OG-CG 3.23Å; S175-E178 WeakPolarHBondContact OG-CG 3.4Å; S175-E178 PolarHBondContact OG-N 3.1Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; S175-L179 WeakPolarHBondContact O-CB 3.45Å; S175-L179 PolarHBondContact O-N 3.28Å | ||
| 176 | P | 94.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 176.4 | -22.2 | 33.1 | 0 | 0 | 0 | 112.5 | L179 I180 W203 A215 V219 | P176-L179 PolarHBondContact O-N 3.4Å; P176-I180 WeakPolarHBondContact O-CB 3.26Å; P176-I180 WeakPolarHBondContact O-CD1 3.37Å; P176-I180 WeakPolarHBondContact O-CG1 3.45Å; P176-I180 PolarHBondContact O-N 2.98Å; P176-W203 HydrophobicContact CB-CH2 4.14Å; P176-W203 HydrophobicContact CB-CZ2 4.23Å; P176-W203 HydrophobicContact CG-CH2 3.99Å; P176-W203 HydrophobicContact CG-CZ2 3.96Å; P176-A215 HydrophobicContact CB-CB 4Å; P176-A215 HydrophobicContact CG-CB 3.74Å; P176-V219 HydrophobicContact CB-CG2 4.18Å |
| 177 | D | 94.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -72.7 | -39.7 | -177.7 | -54.3 | -59.5 | 0 | 0 | 0 | 111.9 | S175 L179 I180 A181 | S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 PolarHBondContact O-N 2.89Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 3.49Å; D177-I180 PolarHBondContact O-N 3.09Å; D177-A181 VanDerWaalsContact O-CB 3.3Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 2.74Å |
| 178 | E | 95.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 172.1 | -74.7 | 168.7 | -172.1 | 0 | 0 | 111.5 | F139 R140 L143 L174 S175 I182 | F139-E178 HydrophobicContact CE1-CB 4.3Å; R140-E178 WeakPolarHBondContact CD-OE1 3.19Å; R140-E178 WeakPolarHBondContact CG-OE1 3.26Å; R140-E178 IonicContact NE-OE1 3.59Å; R140-E178 IonicContact NE-OE2 2.83Å; R140-E178 PolarHBondContact NE-OE2 3.38Å; L143-E178 HydrophobicContact CD1-CG 3.98Å; L174-E178 VanDerWaalsContact CA-OE2 3.25Å; L174-E178 WeakPolarHBondContact CA-OE2 3.31Å; L174-E178 HydrophobicContact CB-CB 4.07Å; L174-E178 HydrophobicContact CD2-CB 3.93Å; L174-E178 WeakPolarHBondContact CD2-OE2 3.18Å; S175-E178 PolarHBondContact N-OE2 2.89Å; S175-E178 PolarHBondContact O-N 2.89Å; S175-E178 WeakPolarHBondContact OG-CB 3.48Å; S175-E178 VanDerWaalsContact OG-CG 3.23Å; S175-E178 WeakPolarHBondContact OG-CG 3.4Å; S175-E178 PolarHBondContact OG-N 3.1Å; S175-E178 VanDerWaalsContact OG-N 3.12Å; E178-I182 PolarHBondContact O-N 3.27Å |
| 179 | L | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -51.5 | 177.6 | 179.7 | 64.2 | 0 | 0 | 0 | 110.7 | F171 L174 S175 P176 D177 A181 I182 I183 W203 V219 | F171-L179 HydrophobicContact CE1-CD1 3.72Å; F171-L179 HydrophobicContact CZ-CD1 3.6Å; L174-L179 HydrophobicContact CB-CB 4.43Å; L174-L179 HydrophobicContact CD1-CD1 4.46Å; S175-L179 WeakPolarHBondContact O-CB 3.45Å; S175-L179 PolarHBondContact O-N 3.28Å; P176-L179 PolarHBondContact O-N 3.4Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 3.49Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.23Å; L179-I182 PolarHBondContact O-N 3.1Å; L179-I183 HydrophobicContact CD1-CG2 3.71Å; L179-I183 HydrophobicContact CG-CD1 4.13Å; L179-I183 HydrophobicContact CG-CG1 4.32Å; L179-I183 HydrophobicContact CG-CG2 4.33Å; L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 3.48Å; L179-W203 HydrophobicContact CD2-CB 4.1Å; L179-W203 HydrophobicContact CD2-CD2 3.51Å; L179-W203 HydrophobicContact CD2-CE3 3.98Å; L179-W203 HydrophobicContact CD2-CG 3.54Å; L179-W203 HydrophobicContact CD2-CZ2 4.46Å; L179-V219 HydrophobicContact CD2-CG1 3.75Å; L179-V219 HydrophobicContact CG-CG1 4.38Å |
| 180 | I | 96.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 19% | 0.185 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.3 | -43.3 | 178.5 | -74.7 | 165.5 | 0 | 0 | 0 | 110.9 | P176 D177 I182 I183 S184 V218 V219 | P176-I180 WeakPolarHBondContact O-CB 3.26Å; P176-I180 WeakPolarHBondContact O-CD1 3.37Å; P176-I180 WeakPolarHBondContact O-CG1 3.45Å; P176-I180 PolarHBondContact O-N 2.98Å; D177-I180 PolarHBondContact O-N 3.09Å; I180-I182 PolarHBondContact O-N 3.36Å; I180-I183 PolarHBondContact O-N 3.39Å; I180-S184 WeakPolarHBondContact O-CB 3.18Å; I180-S184 PolarHBondContact O-N 2.94Å; I180-S184 PolarHBondContact O-OG 2.91Å; I180-V218 HydrophobicContact CD1-CG1 3.91Å; I180-V219 HydrophobicContact CD1-CG2 3.97Å; I180-V219 HydrophobicContact CG1-CB 4.35Å; I180-V219 HydrophobicContact CG1-CG1 4.38Å; I180-V219 HydrophobicContact CG1-CG2 4.08Å |
| 181 | A | 95.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 37.6 Ų | 37.6 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -29 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F139 R155 D177 L179 | F139-A181 HydrophobicContact CZ-CB 3.95Å; R155-A181 VanDerWaalsContact CD-O 3.25Å; R155-A181 WeakPolarHBondContact CD-O 3.31Å; D177-A181 VanDerWaalsContact O-CB 3.3Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 2.74Å; L179-A181 VanDerWaalsContact C-N 3.27Å; L179-A181 PolarHBondContact O-N 3.23Å |
| 182 | I | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -83.9 | -59.1 | 173.2 | -63.6 | 161.2 | 0 | 0 | 0 | 110.2 | F139 R155 I158 F162 F171 L174 E178 L179 I180 S184 S185 L188 | F139-I182 HydrophobicContact CD1-CD1 4.03Å; F139-I182 HydrophobicContact CD1-CG1 4.46Å; F139-I182 HydrophobicContact CE1-CD1 3.7Å; F139-I182 HydrophobicContact CE1-CG1 3.83Å; F139-I182 HydrophobicContact CZ-CD1 4.4Å; F139-I182 HydrophobicContact CZ-CG1 4.02Å; R155-I182 HydrophobicContact CG-CG1 4.28Å; I158-I182 HydrophobicContact CD1-CD1 4.26Å; I158-I182 HydrophobicContact CG2-CD1 4.22Å; I158-I182 HydrophobicContact CG2-CG1 4.46Å; I158-I182 HydrophobicContact CG2-CG2 3.85Å; F162-I182 HydrophobicContact CD2-CG2 4.11Å; F162-I182 HydrophobicContact CE2-CG2 4Å; F171-I182 HydrophobicContact CE2-CD1 4.24Å; L174-I182 HydrophobicContact CD1-CD1 3.77Å; E178-I182 PolarHBondContact O-N 3.27Å; L179-I182 PolarHBondContact O-N 3.1Å; I180-I182 PolarHBondContact O-N 3.36Å; I182-S184 VanDerWaalsContact C-N 3.26Å; I182-S184 PolarHBondContact O-N 3.28Å; I182-S185 VanDerWaalsContact O-CB 3.28Å; I182-S185 WeakPolarHBondContact O-CB 3.27Å; I182-S185 PolarHBondContact O-N 3.23Å; I182-S185 VanDerWaalsContact O-N 3.14Å; I182-L188 HydrophobicContact CG2-CD1 4.37Å |
| 183 | I | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.2 | -11.6 | -168.8 | 68.1 | 165.2 | 0 | 0 | 0 | 114.3 | F162 L179 I180 V196 V200 V219 R309 | F162-I183 HydrophobicContact CE2-CG2 4.09Å; F162-I183 HydrophobicContact CZ-CG2 4.05Å; L179-I183 HydrophobicContact CD1-CG2 3.71Å; L179-I183 HydrophobicContact CG-CD1 4.13Å; L179-I183 HydrophobicContact CG-CG1 4.32Å; L179-I183 HydrophobicContact CG-CG2 4.33Å; L179-I183 WeakPolarHBondContact O-CG1 3.49Å; L179-I183 PolarHBondContact O-N 3.48Å; I180-I183 PolarHBondContact O-N 3.39Å; I183-V196 HydrophobicContact CB-CG1 4.07Å; I183-V196 HydrophobicContact CD1-CG1 4.17Å; I183-V196 HydrophobicContact CG2-CG1 4.49Å; I183-V200 HydrophobicContact CD1-CG2 3.35Å; I183-V219 HydrophobicContact CD1-CG1 3.85Å; I183-R309 VanDerWaalsContact O-CZ 3.29Å; I183-R309 PolarHBondContact O-NH1 2.83Å; I183-R309 PolarHBondContact O-NH2 2.84Å |
| 184 | S | 94.7 | Very high | 95 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -14.5 | 173.3 | -50.4 | 0 | 0 | 0 | 0 | 112.8 | I180 I182 S222 R224 | I180-S184 WeakPolarHBondContact O-CB 3.18Å; I180-S184 PolarHBondContact O-N 2.94Å; I180-S184 PolarHBondContact O-OG 2.91Å; I182-S184 VanDerWaalsContact C-N 3.26Å; I182-S184 PolarHBondContact O-N 3.28Å; S184-S222 WeakPolarHBondContact OG-CB 3.3Å; S184-S222 PolarHBondContact OG-OG 3.1Å; S184-R224 PolarHBondContact O-NH2 2.96Å |
| 185 | S | 94.9 | Very high | 95 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | trans | -64.7 | 138.7 | -173.9 | -169.5 | 0 | 0 | 0 | 0 | 113.3 | I182 S187 L188 R309 | I182-S185 VanDerWaalsContact O-CB 3.28Å; I182-S185 WeakPolarHBondContact O-CB 3.27Å; I182-S185 PolarHBondContact O-N 3.23Å; I182-S185 VanDerWaalsContact O-N 3.14Å; S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact OG-N 3.28Å; S185-L188 WeakPolarHBondContact O-CB 3.22Å; S185-R309 PolarHBondContact O-NH1 3.39Å | ||
| 186 | D | 94.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -33.4 | 169.6 | -64.7 | -44.2 | 0 | 0 | 0 | 111.5 | L188 R224 T307 F310 | D186-L188 PolarHBondContact O-N 3.15Å; D186-R224 IonicContact OD1-CZ 2.79Å; D186-R224 IonicContact OD1-NH1 3.47Å; D186-R224 PolarHBondContact OD1-NH1 3.25Å; D186-R224 IonicContact OD1-NH2 3.56Å; D186-R224 PolarHBondContact OD1-NH2 2.88Å; D186-T307 WeakPolarHBondContact OD1-CG2 3.17Å; D186-F310 WeakPolarHBondContact O-CB 3.49Å; D186-F310 PolarHBondContact O-N 3.26Å |
| 187 | S | 93.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 36% | 0.357 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 4.1 | -179.9 | -45.5 | 0 | 0 | 0 | 0 | 114.8 | C159 S185 N189 | C159-S187 WeakPolarHBondContact CB-O 3.34Å; S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact OG-N 3.28Å; S187-N189 PolarHBondContact O-N 3.38Å |
| 188 | L | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -66 | 116.9 | -177.1 | -160.9 | 67.4 | 0 | 0 | 0 | 110.6 | C159 F162 I182 S185 D186 I190 V196 F310 G311 | C159-L188 HydrophobicContact CB-CD1 4.4Å; F162-L188 HydrophobicContact CB-CD1 3.94Å; F162-L188 HydrophobicContact CD1-CD1 4.14Å; F162-L188 HydrophobicContact CD1-CG 4.36Å; F162-L188 HydrophobicContact CD2-CD1 3.48Å; F162-L188 VanDerWaalsContact CD2-CD1 3.48Å; F162-L188 HydrophobicContact CE2-CD1 3.92Å; F162-L188 HydrophobicContact CG-CD1 3.58Å; F162-L188 HydrophobicContact CG-CG 4.24Å; F162-L188 HydrophobicContact CZ-CD1 4.41Å; I182-L188 HydrophobicContact CG2-CD1 4.37Å; S185-L188 WeakPolarHBondContact O-CB 3.22Å; D186-L188 PolarHBondContact O-N 3.15Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 HydrophobicContact CB-CG1 4.48Å; L188-I190 HydrophobicContact CD2-CD1 3.63Å; L188-I190 HydrophobicContact CD2-CG1 4.14Å; L188-I190 HydrophobicContact CG-CD1 4.19Å; L188-I190 HydrophobicContact CG-CG1 4.15Å; L188-I190 HydrophobicContact CG-CG2 4.47Å; L188-I190 PolarHBondContact O-N 2.99Å; L188-V196 HydrophobicContact CD2-CG2 3.96Å; L188-F310 PolarHBondContact O-N 3.05Å; L188-G311 PolarHBondContact O-N 2.99Å | ||
| 189 | N | 93.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 34 Ų | 34 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | trans | -82.9 | 78.6 | -176.5 | -167.2 | 18 | 0 | 0 | 0 | 111.3 | C159 D160 S187 F310 G311 | C159-N189 WeakPolarHBondContact O-CB 3.4Å; C159-N189 PolarHBondContact O-N 2.8Å; D160-N189 WeakPolarHBondContact O-CB 3.24Å; D160-N189 PolarHBondContact O-ND2 3.14Å; S187-N189 PolarHBondContact O-N 3.38Å; N189-F310 HydrophobicContact CB-CD1 4.31Å; N189-G311 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 190 | I | 93.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | trans | -136.4 | 139.8 | 175.6 | 54.7 | 171.8 | 0 | 0 | 0 | 111.3 | F162 L188 T195 V196 R309 G311 M312 | F162-I190 HydrophobicContact CD1-CG2 3.59Å; F162-I190 HydrophobicContact CE1-CG2 4.2Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 HydrophobicContact CB-CG1 4.48Å; L188-I190 HydrophobicContact CD2-CD1 3.63Å; L188-I190 HydrophobicContact CD2-CG1 4.14Å; L188-I190 HydrophobicContact CG-CD1 4.19Å; L188-I190 HydrophobicContact CG-CG1 4.15Å; L188-I190 HydrophobicContact CG-CG2 4.47Å; L188-I190 PolarHBondContact O-N 2.99Å; I190-T195 HydrophobicContact CG2-CG2 4.33Å; I190-V196 HydrophobicContact CD1-CG2 3.15Å; I190-R309 HydrophobicContact CD1-CG 4.06Å; I190-R309 HydrophobicContact CG1-CB 3.99Å; I190-R309 HydrophobicContact CG1-CG 3.97Å; I190-G311 CarbonylContact O-C 3.57Å; I190-G311 WeakPolarHBondContact O-CA 3.33Å; I190-M312 PolarHBondContact O-N 3.47Å | ||
| 191 | E | 92.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 32.8 Ų | 32.8 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -77.8 | -21.4 | 176.7 | -66.9 | 173.4 | -139.9 | 0 | 0 | 112.9 | L314 R610 | E191-L314 HydrophobicContact CG-CB 4.49Å; E191-L314 HydrophobicContact CG-CD1 3.58Å; E191-R610 VanDerWaalsContact CD-NH1 3.25Å; E191-R610 IonicContact OE1-CZ 2.68Å; E191-R610 IonicContact OE1-NH1 2.72Å; E191-R610 PolarHBondContact OE1-NH1 2.75Å; E191-R610 VanDerWaalsContact OE1-NH1 3.1Å; E191-R610 IonicContact OE1-NH2 3.72Å; E191-R610 PolarHBondContact OE1-NH2 3.27Å; E191-R610 IonicContact OE2-CZ 2.69Å; E191-R610 IonicContact OE2-NH1 2.89Å; E191-R610 PolarHBondContact OE2-NH1 3.27Å; E191-R610 IonicContact OE2-NH2 3.03Å |
| 192 | K | 94.7 | Very high | 95.2 | Very high | 120 Ų | 120 | 35 Ų | 35 | 52% | 0.522 | 18% | 0.181 | S | C | . | . | trans | -144.7 | 131.6 | -166.9 | -69.3 | -174.4 | -175.9 | 177.5 | 0 | 111.8 | E194 T195 | K192-E194 WeakPolarHBondContact CB-OE2 3.3Å; K192-E194 PolarHBondContact O-N 2.89Å; K192-T195 WeakPolarHBondContact O-CB 3.07Å; K192-T195 PolarHBondContact O-N 2.96Å; K192-T195 PolarHBondContact O-OG1 3.12Å | ||
| 193 | E | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.7 | -179.1 | -166.8 | 66.7 | -165.9 | 0 | 0 | 112.1 | T195 V196 F197 I223 R224 L227 M228 R309 M312 | E193-T195 PolarHBondContact O-N 3Å; E193-V196 WeakPolarHBondContact O-CB 2.94Å; E193-V196 PolarHBondContact O-N 2.82Å; E193-F197 PolarHBondContact O-N 3.21Å; E193-I223 HydrophobicContact CG-CG2 4.26Å; E193-R224 HydrophobicContact CG-CB 3.98Å; E193-R224 PolarHBondContact OE1-N 3.3Å; E193-L227 HydrophobicContact CB-CB 4.26Å; E193-M228 HydrophobicContact CG-CE 4.48Å; E193-R309 IonicContact OE1-CZ 2.64Å; E193-R309 IonicContact OE1-NE 2.69Å; E193-R309 IonicContact OE1-NH2 2.64Å; E193-R309 PolarHBondContact OE1-NH2 2.87Å; E193-R309 WeakPolarHBondContact OE2-CG 3.41Å; E193-R309 IonicContact OE2-CZ 3Å; E193-R309 IonicContact OE2-NE 2.68Å; E193-R309 PolarHBondContact OE2-NE 2.85Å; E193-R309 IonicContact OE2-NH2 2.68Å; E193-R309 PolarHBondContact OE2-NH2 3.46Å; E193-M312 HydrophobicContact CB-CE 3.99Å |
| 194 | E | 95.6 | Very high | 94.9 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -47.9 | -39.8 | 168.8 | -64 | 93.7 | 125.5 | 0 | 0 | 111.8 | K192 V196 F197 E198 M228 P229 Y232 | K192-E194 WeakPolarHBondContact CB-OE2 3.3Å; K192-E194 PolarHBondContact O-N 2.89Å; E194-V196 VanDerWaalsContact C-N 3.32Å; E194-V196 PolarHBondContact O-N 3.46Å; E194-F197 PolarHBondContact O-N 2.72Å; E194-E198 WeakPolarHBondContact O-CG 3.43Å; E194-E198 PolarHBondContact O-N 3.49Å; E194-M228 HydrophobicContact CG-CG 4.13Å; E194-P229 VanDerWaalsContact OE1-CD 3.24Å; E194-P229 WeakPolarHBondContact OE1-CD 3.36Å; E194-Y232 HydrophobicContact CB-CE1 4.07Å; E194-Y232 HydrophobicContact CB-CE2 4.09Å; E194-Y232 HydrophobicContact CG-CD1 3.68Å; E194-Y232 HydrophobicContact CG-CD2 3.76Å; E194-Y232 HydrophobicContact CG-CE1 3.71Å; E194-Y232 HydrophobicContact CG-CE2 3.77Å; E194-Y232 HydrophobicContact CG-CG 3.71Å |
| 195 | T | 95.2 | Very high | 94.7 | Very high | 47 Ų | 47 | 35 Ų | 35 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | I190 K192 E193 V199 | I190-T195 HydrophobicContact CG2-CG2 4.33Å; K192-T195 WeakPolarHBondContact O-CB 3.07Å; K192-T195 PolarHBondContact O-N 2.96Å; K192-T195 PolarHBondContact O-OG1 3.12Å; E193-T195 PolarHBondContact O-N 3Å; T195-V199 WeakPolarHBondContact O-CB 3.45Å; T195-V199 VanDerWaalsContact O-CG2 3.26Å; T195-V199 WeakPolarHBondContact O-CG2 3.39Å; T195-V199 PolarHBondContact O-N 2.96Å |
| 196 | V | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 175.8 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | I183 L188 I190 E193 E194 E198 V199 V200 I223 | I183-V196 HydrophobicContact CB-CG1 4.07Å; I183-V196 HydrophobicContact CD1-CG1 4.17Å; I183-V196 HydrophobicContact CG2-CG1 4.49Å; L188-V196 HydrophobicContact CD2-CG2 3.96Å; I190-V196 HydrophobicContact CD1-CG2 3.15Å; E193-V196 WeakPolarHBondContact O-CB 2.94Å; E193-V196 PolarHBondContact O-N 2.82Å; E194-V196 VanDerWaalsContact C-N 3.32Å; E194-V196 PolarHBondContact O-N 3.46Å; V196-E198 PolarHBondContact O-N 3.34Å; V196-V199 PolarHBondContact O-N 3.37Å; V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 VanDerWaalsContact O-CG2 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.28Å; V196-I223 HydrophobicContact CG1-CG1 4.18Å |
| 197 | F | 96.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 177.7 | 170.8 | -97.2 | 0 | 0 | 0 | 111.6 | E193 E194 V199 V200 M201 F220 I223 F225 M228 Y232 V237 H240 V243 | E193-F197 PolarHBondContact O-N 3.21Å; E194-F197 PolarHBondContact O-N 2.72Å; F197-V199 PolarHBondContact O-N 2.88Å; F197-V200 PolarHBondContact O-N 3.07Å; F197-M201 HydrophobicContact CD1-CG 4.32Å; F197-M201 HydrophobicContact CD2-CE 4.09Å; F197-M201 HydrophobicContact CD2-CG 4.18Å; F197-M201 HydrophobicContact CE1-CG 3.84Å; F197-M201 HydrophobicContact CE2-CE 3.74Å; F197-M201 HydrophobicContact CE2-CG 3.68Å; F197-M201 HydrophobicContact CE2-SD 3.9Å; F197-M201 HydrophobicContact CG-CG 4.47Å; F197-M201 HydrophobicContact CZ-CE 4.45Å; F197-M201 HydrophobicContact CZ-CG 3.48Å; F197-M201 VanDerWaalsContact CZ-CG 3.48Å; F197-M201 HydrophobicContact CZ-SD 4.03Å; F197-M201 WeakPolarHBondContact O-CB 3.46Å; F197-M201 VanDerWaalsContact O-CG 3.31Å; F197-M201 WeakPolarHBondContact O-CG 3.42Å; F197-M201 PolarHBondContact O-N 3.06Å; F197-F220 HydrophobicContact CD2-CE2 4.45Å; F197-F220 HydrophobicContact CE2-CE2 4.21Å; F197-I223 HydrophobicContact CB-CD1 4.45Å; F197-I223 HydrophobicContact CB-CG2 4.27Å; F197-I223 HydrophobicContact CD2-CD1 4.18Å; F197-F225 HydrophobicContact CD2-CE1 4.39Å; F197-F225 HydrophobicContact CD2-CZ 4.43Å; F197-M228 HydrophobicContact CB-CE 3.91Å; F197-Y232 HydrophobicContact CD1-CE1 4.15Å; F197-V237 HydrophobicContact CD1-CG2 4.08Å; F197-V237 HydrophobicContact CD2-CG1 4.3Å; F197-V237 HydrophobicContact CD2-CG2 4.07Å; F197-V237 HydrophobicContact CE1-CG2 3.97Å; F197-V237 HydrophobicContact CE2-CB 4.18Å; F197-V237 HydrophobicContact CE2-CG1 3.74Å; F197-V237 HydrophobicContact CE2-CG2 3.97Å; F197-V237 HydrophobicContact CG-CG2 4.13Å; F197-V237 HydrophobicContact CZ-CB 4.1Å; F197-V237 HydrophobicContact CZ-CG1 4.1Å; F197-V237 HydrophobicContact CZ-CG2 3.92Å; F197-H240 HydrophobicContact CZ-CB 4.14Å; F197-V243 HydrophobicContact CE2-CG2 4.33Å |
| 198 | E | 95.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.3 | -71.9 | 173.5 | -172.8 | 0 | 0 | 112.1 | E194 V196 M201 K202 Y232 | E194-E198 WeakPolarHBondContact O-CG 3.43Å; E194-E198 PolarHBondContact O-N 3.49Å; V196-E198 PolarHBondContact O-N 3.34Å; E198-M201 PolarHBondContact O-N 3.4Å; E198-K202 PolarHBondContact O-N 2.85Å; E198-Y232 WeakPolarHBondContact CG-OH 3.23Å; E198-Y232 PolarHBondContact OE1-OH 3.32Å |
| 199 | V | 96.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | F162 F171 Y172 T195 V196 F197 K202 W203 | F162-V199 HydrophobicContact CE1-CG2 4.31Å; F162-V199 HydrophobicContact CZ-CG1 4.16Å; F162-V199 HydrophobicContact CZ-CG2 4.37Å; F171-V199 HydrophobicContact CD1-CG1 4.31Å; F171-V199 HydrophobicContact CE1-CG1 3.49Å; F171-V199 VanDerWaalsContact CE1-CG1 3.49Å; F171-V199 HydrophobicContact CZ-CG1 4.25Å; Y172-V199 HydrophobicContact CE1-CG1 4.24Å; T195-V199 WeakPolarHBondContact O-CB 3.45Å; T195-V199 VanDerWaalsContact O-CG2 3.26Å; T195-V199 WeakPolarHBondContact O-CG2 3.39Å; T195-V199 PolarHBondContact O-N 2.96Å; V196-V199 PolarHBondContact O-N 3.37Å; F197-V199 PolarHBondContact O-N 2.88Å; V199-K202 PolarHBondContact O-N 2.98Å; V199-W203 WeakPolarHBondContact O-CB 3.18Å; V199-W203 PolarHBondContact O-N 2.89Å |
| 200 | V | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I183 V196 F197 W203 A204 L216 V219 I223 | I183-V200 HydrophobicContact CD1-CG2 3.35Å; V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 VanDerWaalsContact O-CG2 3.29Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.28Å; F197-V200 PolarHBondContact O-N 3.07Å; V200-W203 PolarHBondContact O-N 3.42Å; V200-A204 WeakPolarHBondContact O-CB 3.06Å; V200-A204 PolarHBondContact O-N 2.88Å; V200-L216 HydrophobicContact CG1-CD1 3.64Å; V200-V219 HydrophobicContact CG1-CB 4.46Å; V200-V219 HydrophobicContact CG1-CG1 3.73Å; V200-V219 HydrophobicContact CG2-CG1 4.01Å; V200-I223 HydrophobicContact CB-CD1 4.13Å; V200-I223 HydrophobicContact CG1-CD1 4.2Å; V200-I223 HydrophobicContact CG2-CD1 4.22Å; V200-I223 HydrophobicContact CG2-CG1 4.31Å |
| 201 | M | 95.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.9 | -69.7 | -51.4 | 106.6 | 0 | 0 | 112 | F197 E198 A204 G205 L216 F220 H240 M242 V243 | F197-M201 HydrophobicContact CD1-CG 4.32Å; F197-M201 HydrophobicContact CD2-CE 4.09Å; F197-M201 HydrophobicContact CD2-CG 4.18Å; F197-M201 HydrophobicContact CE1-CG 3.84Å; F197-M201 HydrophobicContact CE2-CE 3.74Å; F197-M201 HydrophobicContact CE2-CG 3.68Å; F197-M201 HydrophobicContact CE2-SD 3.9Å; F197-M201 HydrophobicContact CG-CG 4.47Å; F197-M201 HydrophobicContact CZ-CE 4.45Å; F197-M201 HydrophobicContact CZ-CG 3.48Å; F197-M201 VanDerWaalsContact CZ-CG 3.48Å; F197-M201 HydrophobicContact CZ-SD 4.03Å; F197-M201 WeakPolarHBondContact O-CB 3.46Å; F197-M201 VanDerWaalsContact O-CG 3.31Å; F197-M201 WeakPolarHBondContact O-CG 3.42Å; F197-M201 PolarHBondContact O-N 3.06Å; E198-M201 PolarHBondContact O-N 3.4Å; M201-A204 PolarHBondContact O-N 2.81Å; M201-G205 PolarHBondContact O-N 2.69Å; M201-L216 HydrophobicContact CE-CD1 3.95Å; M201-F220 HydrophobicContact CE-CD2 3.99Å; M201-F220 HydrophobicContact CE-CE2 3.92Å; M201-H240 PolarHBondContact SD-CE1 3.44Å; M201-H240 PolarHBondContact SD-ND1 2.96Å; M201-M242 WeakPolarHBondContact O-CE 3.24Å; M201-M242 HydrophobicContact SD-CE 4.26Å; M201-V243 HydrophobicContact SD-CG2 4.33Å |
| 202 | K | 94.4 | Very high | 91.7 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 174.3 | -178.3 | 174.7 | 165.2 | -165 | 0 | 111.1 | E169 Y172 E198 V199 A204 G205 T206 | E169-K202 WeakPolarHBondContact OE1-CE 3.39Å; E169-K202 IonicContact OE1-NZ 3.13Å; E169-K202 PolarHBondContact OE1-NZ 3.28Å; Y172-K202 HydrophobicContact CD1-CB 4.27Å; Y172-K202 HydrophobicContact CD1-CD 4.27Å; Y172-K202 HydrophobicContact CD1-CG 3.9Å; Y172-K202 HydrophobicContact CD2-CD 4.43Å; Y172-K202 HydrophobicContact CE1-CB 3.7Å; Y172-K202 HydrophobicContact CE1-CD 3.65Å; Y172-K202 HydrophobicContact CE1-CG 3.56Å; Y172-K202 HydrophobicContact CE2-CD 3.89Å; Y172-K202 VanDerWaalsContact CE2-CE 3.49Å; Y172-K202 VanDerWaalsContact CZ-CD 3.46Å; E198-K202 PolarHBondContact O-N 2.85Å; V199-K202 PolarHBondContact O-N 2.98Å; K202-A204 PolarHBondContact O-N 2.73Å; K202-G205 PolarHBondContact O-N 2.62Å; K202-G205 VanDerWaalsContact O-N 3.09Å; K202-T206 WeakPolarHBondContact O-CG2 3.42Å |
| 203 | W | 95.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176 | 173.4 | 94 | 0 | 0 | 0 | 113.1 | Y172 L174 P176 L179 V199 V200 G205 T206 R212 A215 V219 | Y172-W203 HydrophobicContact CD1-CB 3.95Å; L174-W203 PolarHBondContact O-NE1 3.47Å; P176-W203 HydrophobicContact CB-CH2 4.14Å; P176-W203 HydrophobicContact CB-CZ2 4.23Å; P176-W203 HydrophobicContact CG-CH2 3.99Å; P176-W203 HydrophobicContact CG-CZ2 3.96Å; L179-W203 HydrophobicContact CD2-CB 4.1Å; L179-W203 HydrophobicContact CD2-CD2 3.51Å; L179-W203 HydrophobicContact CD2-CE3 3.98Å; L179-W203 HydrophobicContact CD2-CG 3.54Å; L179-W203 HydrophobicContact CD2-CZ2 4.46Å; V199-W203 WeakPolarHBondContact O-CB 3.18Å; V199-W203 PolarHBondContact O-N 2.89Å; V200-W203 PolarHBondContact O-N 3.42Å; W203-G205 PolarHBondContact O-N 3.36Å; W203-T206 PolarHBondContact O-OG1 3.39Å; W203-R212 HydrophobicContact CE3-CB 4.45Å; W203-R212 HydrophobicContact CH2-CB 3.92Å; W203-R212 HydrophobicContact CH2-CG 3.82Å; W203-R212 HydrophobicContact CZ2-CB 4.42Å; W203-R212 HydrophobicContact CZ2-CG 3.84Å; W203-R212 HydrophobicContact CZ3-CB 3.94Å; W203-R212 HydrophobicContact CZ3-CG 4.25Å; W203-R212 WeakPolarHBondContact O-CD 3.3Å; W203-R212 PolarHBondContact O-NH1 2.94Å; W203-A215 HydrophobicContact CH2-CB 4.26Å; W203-V219 HydrophobicContact CH2-CG2 3.91Å; W203-V219 HydrophobicContact CZ3-CG2 3.91Å |
| 204 | A | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.5 | -13.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V200 M201 K202 L216 M242 | V200-A204 WeakPolarHBondContact O-CB 3.06Å; V200-A204 PolarHBondContact O-N 2.88Å; M201-A204 PolarHBondContact O-N 2.81Å; K202-A204 PolarHBondContact O-N 2.73Å; A204-L216 HydrophobicContact CB-CD1 4.04Å; A204-L216 HydrophobicContact CB-CD2 4.05Å; A204-L216 HydrophobicContact CB-CG 4.48Å; A204-M242 HydrophobicContact CB-CE 3.79Å; A204-M242 HydrophobicContact CB-SD 4.25Å |
| 205 | G | 90.3 | Very high | 91 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M201 K202 W203 | M201-G205 PolarHBondContact O-N 2.69Å; K202-G205 PolarHBondContact O-N 2.62Å; K202-G205 VanDerWaalsContact O-N 3.09Å; W203-G205 PolarHBondContact O-N 3.36Å |
| 206 | T | 89.9 | Confident | 91 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -82.6 | -168.4 | -173 | 74.4 | 0 | 0 | 0 | 0 | 114 | K202 W203 D208 R209 R212 | K202-T206 WeakPolarHBondContact O-CG2 3.42Å; W203-T206 PolarHBondContact O-OG1 3.39Å; T206-D208 VanDerWaalsContact C-N 3.27Å; T206-D208 PolarHBondContact O-N 3.36Å; T206-D208 VanDerWaalsContact O-N 3.11Å; T206-R209 WeakPolarHBondContact O-CB 3.38Å; T206-R209 PolarHBondContact O-N 3.48Å; T206-R212 PolarHBondContact OG1-NH1 3.24Å |
| 207 | K | 73 | Confident | 90.8 | Very high | 222 Ų | 222 | 58.3 Ų | 58.3 | 97% | 0.965 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.3 | -170.5 | -74 | -178.9 | 177.3 | 175 | 0 | 115.3 | R209 | K207-R209 VanDerWaalsContact C-N 3.32Å; K207-R209 PolarHBondContact O-N 2.99Å |
| 208 | D | 81.2 | Confident | 90.7 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 46.4 | 178.4 | -173.5 | 26.4 | 0 | 0 | 0 | 112.3 | T206 E210 N211 R212 | T206-D208 VanDerWaalsContact C-N 3.27Å; T206-D208 PolarHBondContact O-N 3.36Å; T206-D208 VanDerWaalsContact O-N 3.11Å; D208-E210 VanDerWaalsContact C-N 3.31Å; D208-E210 PolarHBondContact O-N 2.99Å; D208-N211 PolarHBondContact O-N 3.43Å; D208-N211 WeakPolarHBondContact OD1-CB 3.41Å; D208-N211 PolarHBondContact OD1-ND2 3.08Å; D208-R212 HydrophobicContact CB-CG 4.33Å; D208-R212 VanDerWaalsContact O-CB 3.3Å; D208-R212 WeakPolarHBondContact O-CB 3.03Å; D208-R212 WeakPolarHBondContact O-CG 3.39Å; D208-R212 PolarHBondContact O-N 2.83Å |
| 209 | R | 84.1 | Confident | 90.7 | Very high | 139 Ų | 139 | 57.3 Ų | 57.3 | 53% | 0.525 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56 | -40.6 | -170.6 | -173.2 | 176 | 176.3 | -179.2 | 1.7 | 113.5 | T206 K207 Q213 | T206-R209 WeakPolarHBondContact O-CB 3.38Å; T206-R209 PolarHBondContact O-N 3.48Å; K207-R209 VanDerWaalsContact C-N 3.32Å; K207-R209 PolarHBondContact O-N 2.99Å; R209-Q213 HydrophobicContact CG-CG 4.24Å; R209-Q213 VanDerWaalsContact NE-NE2 3.14Å; R209-Q213 VanDerWaalsContact O-CB 3.23Å; R209-Q213 WeakPolarHBondContact O-CB 3.17Å; R209-Q213 WeakPolarHBondContact O-CG 3.34Å; R209-Q213 PolarHBondContact O-N 3.09Å |
| 210 | E | 86.5 | Confident | 90.6 | Very high | 145 Ų | 145 | 57 Ų | 57 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -68.8 | -45.3 | -175.6 | -68.8 | -166.7 | 176.7 | 0 | 0 | 113 | D208 K214 | D208-E210 VanDerWaalsContact C-N 3.31Å; D208-E210 PolarHBondContact O-N 2.99Å; E210-K214 WeakPolarHBondContact O-CG 3.38Å; E210-K214 PolarHBondContact O-N 2.79Å |
| 211 | N | 88.4 | Confident | 90.5 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.5 | -36.2 | -179.7 | -59.3 | -48.2 | 0 | 0 | 0 | 111 | D208 Q213 K214 A215 | D208-N211 PolarHBondContact O-N 3.43Å; D208-N211 WeakPolarHBondContact OD1-CB 3.41Å; D208-N211 PolarHBondContact OD1-ND2 3.08Å; N211-Q213 PolarHBondContact O-N 3.46Å; N211-K214 WeakPolarHBondContact O-CB 3.35Å; N211-K214 PolarHBondContact O-N 3.48Å; N211-K214 VanDerWaalsContact O-N 3.14Å; N211-K214 PolarHBondContact OD1-NZ 3.19Å; N211-K214 VanDerWaalsContact OD1-NZ 3.1Å; N211-A215 PolarHBondContact O-N 3.31Å |
| 212 | R | 90.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -35.4 | 173.9 | -66.6 | 177.7 | 176.6 | -144.8 | -3.4 | 112.9 | Y172 L174 W203 T206 D208 K214 A215 L216 | Y172-R212 PolarHBondContact O-NH1 2.91Å; Y172-R212 PolarHBondContact O-NH2 2.71Å; L174-R212 PolarHBondContact O-NH2 3.32Å; W203-R212 HydrophobicContact CE3-CB 4.45Å; W203-R212 HydrophobicContact CH2-CB 3.92Å; W203-R212 HydrophobicContact CH2-CG 3.82Å; W203-R212 HydrophobicContact CZ2-CB 4.42Å; W203-R212 HydrophobicContact CZ2-CG 3.84Å; W203-R212 HydrophobicContact CZ3-CB 3.94Å; W203-R212 HydrophobicContact CZ3-CG 4.25Å; W203-R212 WeakPolarHBondContact O-CD 3.3Å; W203-R212 PolarHBondContact O-NH1 2.94Å; T206-R212 PolarHBondContact OG1-NH1 3.24Å; D208-R212 HydrophobicContact CB-CG 4.33Å; D208-R212 VanDerWaalsContact O-CB 3.3Å; D208-R212 WeakPolarHBondContact O-CB 3.03Å; D208-R212 WeakPolarHBondContact O-CG 3.39Å; D208-R212 PolarHBondContact O-N 2.83Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 3.08Å; R212-A215 CarbonylContact O-C 3.54Å; R212-A215 PolarHBondContact O-N 2.75Å; R212-L216 WeakPolarHBondContact O-CA 3.45Å; R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.33Å; R212-L216 PolarHBondContact O-N 3.14Å |
| 213 | Q | 88.7 | Confident | 90.6 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68 | -28.8 | 172 | -77.6 | -175.3 | -5.2 | 0 | 0 | 113.2 | R209 N211 M242 | R209-Q213 HydrophobicContact CG-CG 4.24Å; R209-Q213 VanDerWaalsContact NE-NE2 3.14Å; R209-Q213 VanDerWaalsContact O-CB 3.23Å; R209-Q213 WeakPolarHBondContact O-CB 3.17Å; R209-Q213 WeakPolarHBondContact O-CG 3.34Å; R209-Q213 PolarHBondContact O-N 3.09Å; N211-Q213 PolarHBondContact O-N 3.46Å; Q213-M242 HydrophobicContact CG-SD 4.21Å; Q213-M242 PolarHBondContact NE2-SD 2.88Å |
| 214 | K | 90.6 | Very high | 90.6 | Very high | 142 Ų | 142 | 55.5 Ų | 55.5 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.8 | -36.4 | 170.3 | -64.1 | 164.9 | -160.4 | 159.3 | 0 | 112.1 | E210 N211 R212 P217 | E210-K214 WeakPolarHBondContact O-CG 3.38Å; E210-K214 PolarHBondContact O-N 2.79Å; N211-K214 WeakPolarHBondContact O-CB 3.35Å; N211-K214 PolarHBondContact O-N 3.48Å; N211-K214 VanDerWaalsContact O-N 3.14Å; N211-K214 PolarHBondContact OD1-NZ 3.19Å; N211-K214 VanDerWaalsContact OD1-NZ 3.1Å; R212-K214 VanDerWaalsContact C-N 3.32Å; R212-K214 PolarHBondContact O-N 3.08Å; K214-P217 WeakPolarHBondContact O-CD 3.37Å |
| 215 | A | 93 | Very high | 90.6 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -79.1 | -22.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P176 W203 N211 R212 P217 V218 V219 | P176-A215 HydrophobicContact CB-CB 4Å; P176-A215 HydrophobicContact CG-CB 3.74Å; W203-A215 HydrophobicContact CH2-CB 4.26Å; N211-A215 PolarHBondContact O-N 3.31Å; R212-A215 CarbonylContact O-C 3.54Å; R212-A215 PolarHBondContact O-N 2.75Å; A215-P217 VanDerWaalsContact C-CD 3.47Å; A215-V218 WeakPolarHBondContact O-CB 3.37Å; A215-V218 PolarHBondContact O-N 3.21Å; A215-V219 PolarHBondContact O-N 2.92Å |
| 216 | L | 94.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.2 | -42.6 | -174.6 | 178.5 | 59.6 | 0 | 0 | 0 | 113.7 | V200 M201 A204 R212 V218 V219 F220 M242 L249 | V200-L216 HydrophobicContact CG1-CD1 3.64Å; M201-L216 HydrophobicContact CE-CD1 3.95Å; A204-L216 HydrophobicContact CB-CD1 4.04Å; A204-L216 HydrophobicContact CB-CD2 4.05Å; A204-L216 HydrophobicContact CB-CG 4.48Å; R212-L216 WeakPolarHBondContact O-CA 3.45Å; R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.33Å; R212-L216 PolarHBondContact O-N 3.14Å; L216-V218 PolarHBondContact O-N 2.85Å; L216-V219 PolarHBondContact O-N 2.81Å; L216-F220 VanDerWaalsContact O-CB 3.25Å; L216-F220 WeakPolarHBondContact O-CB 3.32Å; L216-F220 PolarHBondContact O-N 3.03Å; L216-M242 HydrophobicContact CD2-CB 4.44Å; L216-L249 HydrophobicContact CD2-CD1 3.8Å; L216-L249 HydrophobicContact CG-CD1 4.07Å |
| 217 | P | 93.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -27.5 | 176.2 | -24.4 | 35.3 | 0 | 0 | 0 | 114.6 | K214 A215 E248 L249 K252 | K214-P217 WeakPolarHBondContact O-CD 3.37Å; A215-P217 VanDerWaalsContact C-CD 3.47Å; P217-E248 VanDerWaalsContact CB-CD 3.45Å; P217-E248 HydrophobicContact CB-CG 4.13Å; P217-E248 WeakPolarHBondContact CB-OE1 3.32Å; P217-E248 HydrophobicContact CG-CB 4.48Å; P217-L249 HydrophobicContact CB-CD2 4.3Å; P217-L249 HydrophobicContact CG-CD2 4.43Å; P217-K252 PolarHBondContact O-NZ 3.48Å |
| 218 | V | 94.3 | Very high | 91.9 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -77.3 | -51.5 | 175 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | I180 A215 L216 F220 E221 | I180-V218 HydrophobicContact CD1-CG1 3.91Å; A215-V218 WeakPolarHBondContact O-CB 3.37Å; A215-V218 PolarHBondContact O-N 3.21Å; L216-V218 PolarHBondContact O-N 2.85Å; V218-F220 PolarHBondContact O-N 3.36Å; V218-E221 WeakPolarHBondContact O-CB 3.26Å; V218-E221 PolarHBondContact O-N 2.92Å |
| 219 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -31.1 | 177.9 | -175 | 0 | 0 | 0 | 0 | 112 | P176 L179 I180 I183 V200 W203 A215 L216 E221 S222 | P176-V219 HydrophobicContact CB-CG2 4.18Å; L179-V219 HydrophobicContact CD2-CG1 3.75Å; L179-V219 HydrophobicContact CG-CG1 4.38Å; I180-V219 HydrophobicContact CD1-CG2 3.97Å; I180-V219 HydrophobicContact CG1-CB 4.35Å; I180-V219 HydrophobicContact CG1-CG1 4.38Å; I180-V219 HydrophobicContact CG1-CG2 4.08Å; I183-V219 HydrophobicContact CD1-CG1 3.85Å; V200-V219 HydrophobicContact CG1-CB 4.46Å; V200-V219 HydrophobicContact CG1-CG1 3.73Å; V200-V219 HydrophobicContact CG2-CG1 4.01Å; W203-V219 HydrophobicContact CH2-CG2 3.91Å; W203-V219 HydrophobicContact CZ3-CG2 3.91Å; A215-V219 PolarHBondContact O-N 2.92Å; L216-V219 PolarHBondContact O-N 2.81Å; V219-E221 PolarHBondContact O-N 2.68Å; V219-S222 WeakPolarHBondContact O-CB 3.46Å; V219-S222 PolarHBondContact O-N 3.12Å; V219-S222 VanDerWaalsContact O-N 3.09Å |
| 220 | F | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.3 | -20.6 | 178.3 | -155.7 | -97.1 | 0 | 0 | 0 | 113.6 | F197 M201 L216 V218 S222 I223 F225 V243 L249 K252 L253 I303 | F197-F220 HydrophobicContact CD2-CE2 4.45Å; F197-F220 HydrophobicContact CE2-CE2 4.21Å; M201-F220 HydrophobicContact CE-CD2 3.99Å; M201-F220 HydrophobicContact CE-CE2 3.92Å; L216-F220 VanDerWaalsContact O-CB 3.25Å; L216-F220 WeakPolarHBondContact O-CB 3.32Å; L216-F220 PolarHBondContact O-N 3.03Å; V218-F220 PolarHBondContact O-N 3.36Å; F220-S222 PolarHBondContact O-N 3.07Å; F220-I223 HydrophobicContact CD2-CD1 3.9Å; F220-I223 HydrophobicContact CE2-CD1 4.3Å; F220-I223 HydrophobicContact CG-CD1 4.28Å; F220-I223 PolarHBondContact O-N 3.18Å; F220-F225 AromaticContact CD1-CE2 3.76Å; F220-F225 HydrophobicContact CD1-CE2 3.76Å; F220-F225 HydrophobicContact CD1-CZ 4.08Å; F220-F225 HydrophobicContact CE1-CD2 4.49Å; F220-F225 AromaticContact CE1-CE2 3.37Å; F220-F225 HydrophobicContact CE1-CE2 3.37Å; F220-F225 AromaticContact CE1-CZ 3.4Å; F220-F225 HydrophobicContact CE1-CZ 3.4Å; F220-F225 AromaticContact CE2-CZ 3.98Å; F220-F225 HydrophobicContact CE2-CZ 3.98Å; F220-F225 HydrophobicContact CZ-CE1 4.28Å; F220-F225 AromaticContact CZ-CE2 3.86Å; F220-F225 HydrophobicContact CZ-CE2 3.86Å; F220-F225 AromaticContact CZ-CZ 3.34Å; F220-F225 HydrophobicContact CZ-CZ 3.34Å; F220-V243 HydrophobicContact CE2-CG2 4.2Å; F220-V243 HydrophobicContact CZ-CG2 4.49Å; F220-L249 HydrophobicContact CB-CD2 3.7Å; F220-L249 HydrophobicContact CD1-CD2 3.79Å; F220-L249 HydrophobicContact CD2-CD1 4.35Å; F220-L249 HydrophobicContact CD2-CD2 3.73Å; F220-L249 HydrophobicContact CE1-CD2 4.23Å; F220-L249 HydrophobicContact CE2-CD1 4.36Å; F220-L249 HydrophobicContact CE2-CD2 4.2Å; F220-L249 HydrophobicContact CG-CD2 3.49Å; F220-L249 VanDerWaalsContact CG-CD2 3.49Å; F220-L249 HydrophobicContact CZ-CD2 4.42Å; F220-K252 HydrophobicContact CD1-CD 4.44Å; F220-L253 HydrophobicContact CE1-CD2 4.16Å; F220-L253 HydrophobicContact CE1-CG 4.3Å; F220-L253 HydrophobicContact CZ-CD2 4.17Å; F220-L253 HydrophobicContact CZ-CG 4.32Å; F220-I303 HydrophobicContact CD1-CG2 4.15Å; F220-I303 WeakPolarHBondContact O-CG2 3.35Å |
| 221 | E | 93.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 23% | 0.234 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -69.2 | -19 | 172.4 | -68.1 | -69.1 | 161.4 | 0 | 0 | 112.9 | V218 V219 I223 K252 G302 I303 | V218-E221 WeakPolarHBondContact O-CB 3.26Å; V218-E221 PolarHBondContact O-N 2.92Å; V219-E221 PolarHBondContact O-N 2.68Å; E221-I223 PolarHBondContact O-N 3.43Å; E221-K252 WeakPolarHBondContact OE1-CD 3.44Å; E221-K252 VanDerWaalsContact OE1-CE 3.3Å; E221-K252 WeakPolarHBondContact OE1-CE 3.49Å; E221-K252 IonicContact OE1-NZ 3.95Å; E221-K252 PolarHBondContact OE1-NZ 2.71Å; E221-G302 CarbonylContact O-C 3.58Å; E221-G302 WeakPolarHBondContact O-CA 2.98Å; E221-G302 PolarHBondContact OE2-N 3.27Å; E221-I303 PolarHBondContact O-N 3.21Å; E221-I303 PolarHBondContact OE2-N 2.81Å; E221-I303 VanDerWaalsContact OE2-N 3.13Å |
| 222 | S | 95.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -79.5 | -2.9 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | S184 V219 F220 R309 | S184-S222 WeakPolarHBondContact OG-CB 3.3Å; S184-S222 PolarHBondContact OG-OG 3.1Å; V219-S222 WeakPolarHBondContact O-CB 3.46Å; V219-S222 PolarHBondContact O-N 3.12Å; V219-S222 VanDerWaalsContact O-N 3.09Å; F220-S222 PolarHBondContact O-N 3.07Å; S222-R309 PolarHBondContact O-NH2 3.42Å |
| 223 | I | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -97.8 | 120 | -178.2 | -54.2 | 169 | 0 | 0 | 0 | 109.9 | E193 V196 F197 V200 F220 E221 F225 M228 I303 | E193-I223 HydrophobicContact CG-CG2 4.26Å; V196-I223 HydrophobicContact CG1-CG1 4.18Å; F197-I223 HydrophobicContact CB-CD1 4.45Å; F197-I223 HydrophobicContact CB-CG2 4.27Å; F197-I223 HydrophobicContact CD2-CD1 4.18Å; V200-I223 HydrophobicContact CB-CD1 4.13Å; V200-I223 HydrophobicContact CG1-CD1 4.2Å; V200-I223 HydrophobicContact CG2-CD1 4.22Å; V200-I223 HydrophobicContact CG2-CG1 4.31Å; F220-I223 HydrophobicContact CD2-CD1 3.9Å; F220-I223 HydrophobicContact CE2-CD1 4.3Å; F220-I223 HydrophobicContact CG-CD1 4.28Å; F220-I223 PolarHBondContact O-N 3.18Å; E221-I223 PolarHBondContact O-N 3.43Å; I223-F225 HydrophobicContact CB-CD2 4.29Å; I223-F225 HydrophobicContact CB-CE2 3.66Å; I223-F225 HydrophobicContact CB-CZ 3.87Å; I223-F225 HydrophobicContact CD1-CZ 4.15Å; I223-F225 HydrophobicContact CG2-CD1 4.3Å; I223-F225 HydrophobicContact CG2-CD2 4.14Å; I223-F225 HydrophobicContact CG2-CE1 3.85Å; I223-F225 HydrophobicContact CG2-CE2 3.69Å; I223-F225 HydrophobicContact CG2-CG 4.42Å; I223-F225 HydrophobicContact CG2-CZ 3.52Å; I223-F225 VanDerWaalsContact O-CD2 3.23Å; I223-F225 WeakPolarHBondContact O-CD2 3.5Å; I223-F225 PolarHBondContact O-N 2.68Å; I223-F225 VanDerWaalsContact O-N 3.09Å; I223-M228 HydrophobicContact CG2-CE 4.3Å; I223-I303 WeakPolarHBondContact O-CA 3.49Å |
| 224 | R | 95.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | trans | -87.4 | 71.5 | -170.9 | -56.4 | -175.5 | -172.6 | -170.9 | -3 | 112.3 | S184 D186 E193 R226 L227 N305 T307 R309 | S184-R224 PolarHBondContact O-NH2 2.96Å; D186-R224 IonicContact OD1-CZ 2.79Å; D186-R224 IonicContact OD1-NH1 3.47Å; D186-R224 PolarHBondContact OD1-NH1 3.25Å; D186-R224 IonicContact OD1-NH2 3.56Å; D186-R224 PolarHBondContact OD1-NH2 2.88Å; E193-R224 HydrophobicContact CG-CB 3.98Å; E193-R224 PolarHBondContact OE1-N 3.3Å; R224-R226 PolarHBondContact O-N 3.47Å; R224-L227 HydrophobicContact CB-CD1 3.73Å; R224-L227 HydrophobicContact CB-CG 4.1Å; R224-L227 HydrophobicContact CG-CD1 4.41Å; R224-L227 WeakPolarHBondContact O-CB 3.17Å; R224-L227 PolarHBondContact O-N 2.88Å; R224-N305 WeakPolarHBondContact CB-O 3.25Å; R224-N305 HydrophobicContact CG-CB 4.16Å; R224-T307 PolarHBondContact NH1-O 3.48Å; R224-R309 VanDerWaalsContact NE-CZ 3.26Å | ||
| 225 | F | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.5 | -12.7 | -173.9 | -66 | -80.6 | 0 | 0 | 0 | 115.6 | F197 F220 I223 L227 M228 V237 L253 V256 I303 | F197-F225 HydrophobicContact CD2-CE1 4.39Å; F197-F225 HydrophobicContact CD2-CZ 4.43Å; F220-F225 AromaticContact CD1-CE2 3.76Å; F220-F225 HydrophobicContact CD1-CE2 3.76Å; F220-F225 HydrophobicContact CD1-CZ 4.08Å; F220-F225 HydrophobicContact CE1-CD2 4.49Å; F220-F225 AromaticContact CE1-CE2 3.37Å; F220-F225 HydrophobicContact CE1-CE2 3.37Å; F220-F225 AromaticContact CE1-CZ 3.4Å; F220-F225 HydrophobicContact CE1-CZ 3.4Å; F220-F225 AromaticContact CE2-CZ 3.98Å; F220-F225 HydrophobicContact CE2-CZ 3.98Å; F220-F225 HydrophobicContact CZ-CE1 4.28Å; F220-F225 AromaticContact CZ-CE2 3.86Å; F220-F225 HydrophobicContact CZ-CE2 3.86Å; F220-F225 AromaticContact CZ-CZ 3.34Å; F220-F225 HydrophobicContact CZ-CZ 3.34Å; I223-F225 HydrophobicContact CB-CD2 4.29Å; I223-F225 HydrophobicContact CB-CE2 3.66Å; I223-F225 HydrophobicContact CB-CZ 3.87Å; I223-F225 HydrophobicContact CD1-CZ 4.15Å; I223-F225 HydrophobicContact CG2-CD1 4.3Å; I223-F225 HydrophobicContact CG2-CD2 4.14Å; I223-F225 HydrophobicContact CG2-CE1 3.85Å; I223-F225 HydrophobicContact CG2-CE2 3.69Å; I223-F225 HydrophobicContact CG2-CG 4.42Å; I223-F225 HydrophobicContact CG2-CZ 3.52Å; I223-F225 VanDerWaalsContact O-CD2 3.23Å; I223-F225 WeakPolarHBondContact O-CD2 3.5Å; I223-F225 PolarHBondContact O-N 2.68Å; I223-F225 VanDerWaalsContact O-N 3.09Å; F225-L227 VanDerWaalsContact C-N 3.27Å; F225-M228 HydrophobicContact CD1-CE 4.12Å; F225-M228 HydrophobicContact CD1-SD 4Å; F225-M228 HydrophobicContact CE1-CE 4.15Å; F225-M228 HydrophobicContact CE1-SD 4.27Å; F225-V237 HydrophobicContact CE1-CG1 3.83Å; F225-V237 HydrophobicContact CE1-CG2 4.2Å; F225-V237 HydrophobicContact CZ-CG1 4.45Å; F225-L253 HydrophobicContact CD1-CD2 4.35Å; F225-L253 HydrophobicContact CE1-CD2 4.16Å; F225-L253 HydrophobicContact CZ-CD2 4.31Å; F225-V256 HydrophobicContact CB-CB 4.44Å; F225-V256 HydrophobicContact CB-CG1 3.7Å; F225-V256 HydrophobicContact CB-CG2 3.81Å; F225-V256 HydrophobicContact CD2-CG2 4.16Å; F225-V256 HydrophobicContact CG-CG2 4.17Å; F225-I303 HydrophobicContact CD2-CB 3.98Å; F225-I303 HydrophobicContact CD2-CG2 4.02Å; F225-I303 HydrophobicContact CE2-CB 4.48Å; F225-I303 HydrophobicContact CE2-CG2 4.02Å; F225-I303 PolarHBondContact N-O 2.73Å |
| 226 | R | 91.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 35% | 0.347 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -66.9 | -27.4 | 169.1 | -68.2 | -117.2 | -72.6 | -100.8 | 15 | 113 | R224 L304 D306 | R224-R226 PolarHBondContact O-N 3.47Å; R226-L304 WeakPolarHBondContact CG-O 3.46Å; R226-L304 VanDerWaalsContact CZ-O 3.26Å; R226-L304 PolarHBondContact NH1-O 2.99Å; R226-D306 HydrophobicContact CB-CB 3.77Å; R226-D306 HydrophobicContact CG-CB 4.3Å; R226-D306 VanDerWaalsContact CZ-CG 3.47Å; R226-D306 IonicContact CZ-OD1 3.38Å; R226-D306 IonicContact CZ-OD2 2.68Å; R226-D306 IonicContact NE-OD2 2.69Å; R226-D306 PolarHBondContact NE-OD2 3.47Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 2.89Å; R226-D306 IonicContact NH2-OD2 3.63Å; R226-D306 PolarHBondContact NH2-OD2 3.44Å |
| 227 | L | 93.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 45 Ų | 45 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -89.3 | -3.1 | -179.2 | -55.8 | 176.6 | 0 | 0 | 0 | 113.2 | E193 R224 F225 D306 T307 M308 M312 | E193-L227 HydrophobicContact CB-CB 4.26Å; R224-L227 HydrophobicContact CB-CD1 3.73Å; R224-L227 HydrophobicContact CB-CG 4.1Å; R224-L227 HydrophobicContact CG-CD1 4.41Å; R224-L227 WeakPolarHBondContact O-CB 3.17Å; R224-L227 PolarHBondContact O-N 2.88Å; F225-L227 VanDerWaalsContact C-N 3.27Å; L227-D306 HydrophobicContact CD2-CB 4.46Å; L227-T307 WeakPolarHBondContact CD1-O 3.41Å; L227-M308 HydrophobicContact CD2-CG 4.15Å; L227-M312 HydrophobicContact CB-CE 4.14Å; L227-M312 HydrophobicContact CD1-CE 3.92Å; L227-M312 HydrophobicContact CD1-SD 3.82Å |
| 228 | M | 94.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -98.5 | 136.2 | -175 | -171.7 | 178.4 | -68.4 | 0 | 0 | 111.2 | E193 E194 F197 I223 F225 K230 Y232 I233 V237 | E193-M228 HydrophobicContact CG-CE 4.48Å; E194-M228 HydrophobicContact CG-CG 4.13Å; F197-M228 HydrophobicContact CB-CE 3.91Å; I223-M228 HydrophobicContact CG2-CE 4.3Å; F225-M228 HydrophobicContact CD1-CE 4.12Å; F225-M228 HydrophobicContact CD1-SD 4Å; F225-M228 HydrophobicContact CE1-CE 4.15Å; F225-M228 HydrophobicContact CE1-SD 4.27Å; M228-K230 PolarHBondContact O-N 3.4Å; M228-Y232 HydrophobicContact CG-CD1 4.02Å; M228-Y232 HydrophobicContact SD-CD1 3.57Å; M228-Y232 VanDerWaalsContact SD-CD1 3.57Å; M228-Y232 HydrophobicContact SD-CE1 4.04Å; M228-I233 HydrophobicContact CB-CD1 4.2Å; M228-I233 HydrophobicContact CB-CG1 4.12Å; M228-I233 HydrophobicContact CG-CD1 4.43Å; M228-I233 HydrophobicContact CG-CG1 3.82Å; M228-I233 HydrophobicContact SD-CG1 3.61Å; M228-V237 HydrophobicContact CE-CG2 4.46Å; M228-V237 HydrophobicContact SD-CG2 3.61Å |
| 229 | P | 93.6 | Very high | 93.5 | Very high | 64 Ų | 64 | 48 Ų | 48 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | trans | -56.9 | 136 | 176.6 | -26 | 35.2 | 0 | 0 | 0 | 112.8 | E194 D231 Y232 I233 | E194-P229 VanDerWaalsContact OE1-CD 3.24Å; E194-P229 WeakPolarHBondContact OE1-CD 3.36Å; P229-D231 PolarHBondContact O-N 3.38Å; P229-Y232 PolarHBondContact O-N 2.84Å; P229-I233 PolarHBondContact O-N 2.97Å; P229-I233 VanDerWaalsContact O-N 3.11Å | ||
| 230 | K | 91.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 50.9 Ų | 50.9 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -56.6 | -37.2 | -177.9 | -67.9 | -176.9 | 175.8 | 178.3 | 0 | 112.8 | M228 I233 K234 | M228-K230 PolarHBondContact O-N 3.4Å; K230-I233 PolarHBondContact O-N 3.33Å; K230-K234 PolarHBondContact O-N 3.2Å; K230-K234 VanDerWaalsContact O-N 3.16Å |
| 231 | D | 93.5 | Very high | 93.2 | Very high | 113 Ų | 113 | 54.3 Ų | 54.3 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 178.3 | -60.1 | -44 | 0 | 0 | 0 | 111.5 | P229 I233 K234 D235 | P229-D231 PolarHBondContact O-N 3.38Å; D231-I233 PolarHBondContact O-N 3.1Å; D231-K234 PolarHBondContact O-N 2.74Å; D231-D235 VanDerWaalsContact O-CB 3.31Å; D231-D235 WeakPolarHBondContact O-CB 3.47Å; D231-D235 PolarHBondContact O-N 3.25Å |
| 232 | Y | 94.2 | Very high | 93 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 14% | 0.137 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.7 | -172.3 | -79.4 | 0 | 0 | 0 | 111.9 | E194 F197 E198 M228 P229 K234 D235 H236 V237 | E194-Y232 HydrophobicContact CB-CE1 4.07Å; E194-Y232 HydrophobicContact CB-CE2 4.09Å; E194-Y232 HydrophobicContact CG-CD1 3.68Å; E194-Y232 HydrophobicContact CG-CD2 3.76Å; E194-Y232 HydrophobicContact CG-CE1 3.71Å; E194-Y232 HydrophobicContact CG-CE2 3.77Å; E194-Y232 HydrophobicContact CG-CG 3.71Å; F197-Y232 HydrophobicContact CD1-CE1 4.15Å; E198-Y232 WeakPolarHBondContact CG-OH 3.23Å; E198-Y232 PolarHBondContact OE1-OH 3.32Å; M228-Y232 HydrophobicContact CG-CD1 4.02Å; M228-Y232 HydrophobicContact SD-CD1 3.57Å; M228-Y232 VanDerWaalsContact SD-CD1 3.57Å; M228-Y232 HydrophobicContact SD-CE1 4.04Å; P229-Y232 PolarHBondContact O-N 2.84Å; Y232-K234 VanDerWaalsContact C-N 3.34Å; Y232-K234 PolarHBondContact O-N 3.3Å; Y232-D235 PolarHBondContact O-N 2.87Å; Y232-H236 HydrophobicContact CD1-CB 4.02Å; Y232-H236 HydrophobicContact CD2-CB 4.29Å; Y232-H236 AromaticContact CD2-CD2 3.73Å; Y232-H236 AromaticContact CD2-CG 3.93Å; Y232-H236 HydrophobicContact CE1-CB 3.75Å; Y232-H236 HydrophobicContact CE2-CB 4.06Å; Y232-H236 AromaticContact CE2-CG 3.76Å; Y232-H236 HydrophobicContact CG-CB 4.28Å; Y232-H236 AromaticContact CZ-CG 3.99Å; Y232-H236 WeakPolarHBondContact O-CA 3.31Å; Y232-H236 WeakPolarHBondContact O-CB 3.43Å; Y232-H236 PolarHBondContact O-N 2.92Å; Y232-V237 HydrophobicContact CD1-CG2 4.03Å; Y232-V237 HydrophobicContact CE1-CG2 3.96Å; Y232-V237 PolarHBondContact O-N 3.31Å |
| 233 | I | 92.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -57.1 | -50 | 174.8 | -63.4 | 169.8 | 0 | 0 | 0 | 110.3 | M228 P229 K230 D231 V237 E238 | M228-I233 HydrophobicContact CB-CD1 4.2Å; M228-I233 HydrophobicContact CB-CG1 4.12Å; M228-I233 HydrophobicContact CG-CD1 4.43Å; M228-I233 HydrophobicContact CG-CG1 3.82Å; M228-I233 HydrophobicContact SD-CG1 3.61Å; P229-I233 PolarHBondContact O-N 2.97Å; P229-I233 VanDerWaalsContact O-N 3.11Å; K230-I233 PolarHBondContact O-N 3.33Å; D231-I233 PolarHBondContact O-N 3.1Å; I233-V237 HydrophobicContact CG2-CB 4.46Å; I233-V237 WeakPolarHBondContact O-CB 3.4Å; I233-V237 PolarHBondContact O-N 3.39Å; I233-E238 WeakPolarHBondContact O-CG 3.28Å; I233-E238 PolarHBondContact O-N 3.28Å |
| 234 | K | 90.8 | Very high | 92.5 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -66.4 | -41.3 | -179 | 178.6 | -174.2 | 169.5 | -161.5 | 0 | 112.7 | K230 D231 Y232 | K230-K234 PolarHBondContact O-N 3.2Å; K230-K234 VanDerWaalsContact O-N 3.16Å; D231-K234 PolarHBondContact O-N 2.74Å; Y232-K234 VanDerWaalsContact C-N 3.34Å; Y232-K234 PolarHBondContact O-N 3.3Å |
| 235 | D | 92.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -92.4 | -26.3 | -169.7 | -74.2 | -37.9 | 0 | 0 | 0 | 114.8 | D231 Y232 K239 | D231-D235 VanDerWaalsContact O-CB 3.31Å; D231-D235 WeakPolarHBondContact O-CB 3.47Å; D231-D235 PolarHBondContact O-N 3.25Å; Y232-D235 PolarHBondContact O-N 2.87Å; D235-K239 WeakPolarHBondContact O-CD 3.13Å; D235-K239 WeakPolarHBondContact O-CE 3.04Å; D235-K239 WeakPolarHBondContact O-CG 3.35Å; D235-K239 PolarHBondContact O-NZ 2.89Å; D235-K239 WeakPolarHBondContact OD1-CE 3.41Å; D235-K239 IonicContact OD1-NZ 2.72Å; D235-K239 PolarHBondContact OD1-NZ 2.88Å |
| 236 | H | 92.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -114.2 | -58.6 | -179.4 | -63.9 | -104.6 | 0 | 0 | 0 | 111.9 | Y232 K239 H240 | Y232-H236 HydrophobicContact CD1-CB 4.02Å; Y232-H236 HydrophobicContact CD2-CB 4.29Å; Y232-H236 AromaticContact CD2-CD2 3.73Å; Y232-H236 AromaticContact CD2-CG 3.93Å; Y232-H236 HydrophobicContact CE1-CB 3.75Å; Y232-H236 HydrophobicContact CE2-CB 4.06Å; Y232-H236 AromaticContact CE2-CG 3.76Å; Y232-H236 HydrophobicContact CG-CB 4.28Å; Y232-H236 AromaticContact CZ-CG 3.99Å; Y232-H236 WeakPolarHBondContact O-CA 3.31Å; Y232-H236 WeakPolarHBondContact O-CB 3.43Å; Y232-H236 PolarHBondContact O-N 2.92Å; H236-K239 PolarHBondContact O-N 3.44Å; H236-H240 PolarHBondContact O-N 2.89Å |
| 237 | V | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -62.4 | -54.8 | -172.9 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | F197 F225 M228 Y232 I233 K239 H240 L253 | F197-V237 HydrophobicContact CD1-CG2 4.08Å; F197-V237 HydrophobicContact CD2-CG1 4.3Å; F197-V237 HydrophobicContact CD2-CG2 4.07Å; F197-V237 HydrophobicContact CE1-CG2 3.97Å; F197-V237 HydrophobicContact CE2-CB 4.18Å; F197-V237 HydrophobicContact CE2-CG1 3.74Å; F197-V237 HydrophobicContact CE2-CG2 3.97Å; F197-V237 HydrophobicContact CG-CG2 4.13Å; F197-V237 HydrophobicContact CZ-CB 4.1Å; F197-V237 HydrophobicContact CZ-CG1 4.1Å; F197-V237 HydrophobicContact CZ-CG2 3.92Å; F225-V237 HydrophobicContact CE1-CG1 3.83Å; F225-V237 HydrophobicContact CE1-CG2 4.2Å; F225-V237 HydrophobicContact CZ-CG1 4.45Å; M228-V237 HydrophobicContact CE-CG2 4.46Å; M228-V237 HydrophobicContact SD-CG2 3.61Å; Y232-V237 HydrophobicContact CD1-CG2 4.03Å; Y232-V237 HydrophobicContact CE1-CG2 3.96Å; Y232-V237 PolarHBondContact O-N 3.31Å; I233-V237 HydrophobicContact CG2-CB 4.46Å; I233-V237 WeakPolarHBondContact O-CB 3.4Å; I233-V237 PolarHBondContact O-N 3.39Å; V237-K239 PolarHBondContact O-N 2.72Å; V237-H240 WeakPolarHBondContact O-CB 3.49Å; V237-H240 PolarHBondContact O-N 3.13Å; V237-L253 HydrophobicContact CG1-CD1 3.93Å; V237-L253 HydrophobicContact CG1-CD2 3.83Å |
| 238 | E | 91.1 | Very high | 92 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.4 | 179.2 | -72.2 | -173.8 | -133.2 | 0 | 0 | 113.1 | I233 K244 L253 K257 | I233-E238 WeakPolarHBondContact O-CG 3.28Å; I233-E238 PolarHBondContact O-N 3.28Å; E238-K244 VanDerWaalsContact O-CE 3.29Å; E238-K244 WeakPolarHBondContact O-CE 3.38Å; E238-K244 WeakPolarHBondContact O-CG 3.33Å; E238-L253 HydrophobicContact CG-CD1 4.37Å; E238-K257 VanDerWaalsContact CD-CE 3.43Å; E238-K257 WeakPolarHBondContact OE1-CE 3.32Å; E238-K257 IonicContact OE1-NZ 2.87Å; E238-K257 PolarHBondContact OE1-NZ 3.36Å; E238-K257 IonicContact OE2-NZ 2.7Å; E238-K257 PolarHBondContact OE2-NZ 2.78Å |
| 239 | K | 92.6 | Very high | 91.9 | Very high | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19.2 | -179.6 | -63 | -166.7 | -157.7 | 142.5 | 0 | 112.8 | D235 H236 V237 K244 | D235-K239 WeakPolarHBondContact O-CD 3.13Å; D235-K239 WeakPolarHBondContact O-CE 3.04Å; D235-K239 WeakPolarHBondContact O-CG 3.35Å; D235-K239 PolarHBondContact O-NZ 2.89Å; D235-K239 WeakPolarHBondContact OD1-CE 3.41Å; D235-K239 IonicContact OD1-NZ 2.72Å; D235-K239 PolarHBondContact OD1-NZ 2.88Å; H236-K239 PolarHBondContact O-N 3.44Å; V237-K239 PolarHBondContact O-N 2.72Å; K239-K244 WeakPolarHBondContact O-CE 3.49Å; K239-K244 PolarHBondContact O-NZ 3Å |
| 240 | H | 94 | Very high | 91.7 | Very high | 61 Ų | 61 | 65.8 Ų | 65.8 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | trans | -61 | 136.9 | -174.5 | -164.3 | -108 | 0 | 0 | 0 | 113 | F197 M201 H236 V237 M242 V243 K244 | F197-H240 HydrophobicContact CZ-CB 4.14Å; M201-H240 PolarHBondContact SD-CE1 3.44Å; M201-H240 PolarHBondContact SD-ND1 2.96Å; H236-H240 PolarHBondContact O-N 2.89Å; V237-H240 WeakPolarHBondContact O-CB 3.49Å; V237-H240 PolarHBondContact O-N 3.13Å; H240-M242 PolarHBondContact O-N 2.86Å; H240-V243 HydrophobicContact CB-CB 4.32Å; H240-V243 HydrophobicContact CB-CG2 4.07Å; H240-V243 PolarHBondContact O-N 3.41Å; H240-K244 PolarHBondContact O-N 3.02Å; H240-K244 VanDerWaalsContact O-N 3.09Å | ||
| 241 | A | 90.4 | Very high | 91.7 | Very high | 72 Ų | 72 | 66.4 Ų | 66.4 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113 | V243 K244 S245 | A241-V243 VanDerWaalsContact C-N 3.33Å; A241-V243 PolarHBondContact O-N 3.31Å; A241-K244 PolarHBondContact O-N 3.22Å; A241-S245 PolarHBondContact O-N 3.34Å; A241-S245 VanDerWaalsContact O-N 3.13Å; A241-S245 PolarHBondContact O-OG 3.46Å |
| 242 | M | 89.3 | Confident | 91.6 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.8 | -28.8 | -178.5 | -63.2 | -163.1 | -75.3 | 0 | 0 | 113.2 | M201 A204 Q213 L216 H240 S245 S246 | M201-M242 WeakPolarHBondContact O-CE 3.24Å; M201-M242 HydrophobicContact SD-CE 4.26Å; A204-M242 HydrophobicContact CB-CE 3.79Å; A204-M242 HydrophobicContact CB-SD 4.25Å; Q213-M242 HydrophobicContact CG-SD 4.21Å; Q213-M242 PolarHBondContact NE2-SD 2.88Å; L216-M242 HydrophobicContact CD2-CB 4.44Å; H240-M242 PolarHBondContact O-N 2.86Å; M242-S245 WeakPolarHBondContact CA-OG 3.44Å; M242-S245 PolarHBondContact O-OG 3.08Å; M242-S246 PolarHBondContact O-N 2.97Å |
| 243 | V | 90.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.1 | -50.2 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | F197 M201 F220 H240 A241 S245 S246 L249 L250 L253 | F197-V243 HydrophobicContact CE2-CG2 4.33Å; M201-V243 HydrophobicContact SD-CG2 4.33Å; F220-V243 HydrophobicContact CE2-CG2 4.2Å; F220-V243 HydrophobicContact CZ-CG2 4.49Å; H240-V243 HydrophobicContact CB-CB 4.32Å; H240-V243 HydrophobicContact CB-CG2 4.07Å; H240-V243 PolarHBondContact O-N 3.41Å; A241-V243 VanDerWaalsContact C-N 3.33Å; A241-V243 PolarHBondContact O-N 3.31Å; V243-S245 VanDerWaalsContact C-N 3.29Å; V243-S245 PolarHBondContact O-N 2.75Å; V243-S246 PolarHBondContact O-N 3.27Å; V243-S246 VanDerWaalsContact O-N 3.11Å; V243-L249 HydrophobicContact CG1-CB 4.44Å; V243-L249 HydrophobicContact CG2-CD1 4.39Å; V243-L250 HydrophobicContact CG1-CD2 4.32Å; V243-L253 HydrophobicContact CG1-CD1 3.38Å |
| 244 | K | 90.9 | Very high | 91.2 | Very high | 120 Ų | 120 | 64.6 Ų | 64.6 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 176.7 | -76.4 | 174.3 | 171.4 | 155.8 | 0 | 113.9 | E238 K239 H240 A241 S246 | E238-K244 VanDerWaalsContact O-CE 3.29Å; E238-K244 WeakPolarHBondContact O-CE 3.38Å; E238-K244 WeakPolarHBondContact O-CG 3.33Å; K239-K244 WeakPolarHBondContact O-CE 3.49Å; K239-K244 PolarHBondContact O-NZ 3Å; H240-K244 PolarHBondContact O-N 3.02Å; H240-K244 VanDerWaalsContact O-N 3.09Å; A241-K244 PolarHBondContact O-N 3.22Å; K244-S246 VanDerWaalsContact C-N 3.28Å; K244-S246 PolarHBondContact O-N 3.44Å |
| 245 | S | 88.8 | Confident | 91.2 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12 | 179 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | A241 M242 V243 P247 | A241-S245 PolarHBondContact O-N 3.34Å; A241-S245 VanDerWaalsContact O-N 3.13Å; A241-S245 PolarHBondContact O-OG 3.46Å; M242-S245 WeakPolarHBondContact CA-OG 3.44Å; M242-S245 PolarHBondContact O-OG 3.08Å; V243-S245 VanDerWaalsContact C-N 3.29Å; V243-S245 PolarHBondContact O-N 2.75Å; S245-P247 WeakPolarHBondContact O-CD 3.19Å |
| 246 | S | 91.4 | Very high | 91 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | trans | -109.9 | 108.1 | -177.1 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | M242 V243 K244 E248 L249 L250 | M242-S246 PolarHBondContact O-N 2.97Å; V243-S246 PolarHBondContact O-N 3.27Å; V243-S246 VanDerWaalsContact O-N 3.11Å; K244-S246 VanDerWaalsContact C-N 3.28Å; K244-S246 PolarHBondContact O-N 3.44Å; S246-E248 PolarHBondContact O-N 3.2Å; S246-E248 VanDerWaalsContact O-N 3.13Å; S246-L249 PolarHBondContact O-N 3.03Å; S246-L249 PolarHBondContact OG-N 3.25Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 2.88Å; S246-L250 VanDerWaalsContact O-N 3.14Å | ||
| 247 | P | 90.6 | Very high | 90.8 | Very high | 92 Ų | 92 | 55.4 Ų | 55.4 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.3 | -22.2 | 175.1 | -24.1 | 34.5 | 0 | 0 | 0 | 113.8 | S245 K251 | S245-P247 WeakPolarHBondContact O-CD 3.19Å; P247-K251 VanDerWaalsContact O-CG 3.31Å; P247-K251 WeakPolarHBondContact O-CG 3.4Å; P247-K251 PolarHBondContact O-N 3.49Å |
| 248 | E | 92.6 | Very high | 90.5 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 46% | 0.458 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.2 | -44.5 | 177.6 | -166.8 | 177.1 | 162.6 | 0 | 0 | 111.6 | P217 S246 L250 K251 K252 | P217-E248 VanDerWaalsContact CB-CD 3.45Å; P217-E248 HydrophobicContact CB-CG 4.13Å; P217-E248 WeakPolarHBondContact CB-OE1 3.32Å; P217-E248 HydrophobicContact CG-CB 4.48Å; S246-E248 PolarHBondContact O-N 3.2Å; S246-E248 VanDerWaalsContact O-N 3.13Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 2.84Å; E248-K251 WeakPolarHBondContact O-CB 3.48Å; E248-K251 PolarHBondContact O-N 3.05Å; E248-K251 VanDerWaalsContact O-N 3.16Å; E248-K252 PolarHBondContact O-N 3.3Å |
| 249 | L | 92.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 175.3 | -61.7 | -177.6 | 0 | 0 | 0 | 111.6 | L216 P217 F220 V243 S246 K251 K252 L253 | L216-L249 HydrophobicContact CD2-CD1 3.8Å; L216-L249 HydrophobicContact CG-CD1 4.07Å; P217-L249 HydrophobicContact CB-CD2 4.3Å; P217-L249 HydrophobicContact CG-CD2 4.43Å; F220-L249 HydrophobicContact CB-CD2 3.7Å; F220-L249 HydrophobicContact CD1-CD2 3.79Å; F220-L249 HydrophobicContact CD2-CD1 4.35Å; F220-L249 HydrophobicContact CD2-CD2 3.73Å; F220-L249 HydrophobicContact CE1-CD2 4.23Å; F220-L249 HydrophobicContact CE2-CD1 4.36Å; F220-L249 HydrophobicContact CE2-CD2 4.2Å; F220-L249 HydrophobicContact CG-CD2 3.49Å; F220-L249 VanDerWaalsContact CG-CD2 3.49Å; F220-L249 HydrophobicContact CZ-CD2 4.42Å; V243-L249 HydrophobicContact CG1-CB 4.44Å; V243-L249 HydrophobicContact CG2-CD1 4.39Å; S246-L249 PolarHBondContact O-N 3.03Å; S246-L249 PolarHBondContact OG-N 3.25Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.38Å; L249-K252 PolarHBondContact O-N 2.88Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 2.77Å |
| 250 | L | 91.1 | Very high | 89.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 174.4 | -68 | 174.5 | 0 | 0 | 0 | 112.7 | V243 S246 E248 Q254 | V243-L250 HydrophobicContact CG1-CD2 4.32Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 2.88Å; S246-L250 VanDerWaalsContact O-N 3.14Å; E248-L250 VanDerWaalsContact C-N 3.31Å; E248-L250 PolarHBondContact O-N 2.84Å; L250-Q254 PolarHBondContact O-N 3.21Å |
| 251 | K | 91 | Very high | 89.1 | Confident | 143 Ų | 143 | 55.7 Ų | 55.7 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.3 | -42.5 | 172.6 | -72.5 | 167.7 | -175.5 | 176.6 | 0 | 111.8 | P247 E248 L249 Q254 I255 | P247-K251 VanDerWaalsContact O-CG 3.31Å; P247-K251 WeakPolarHBondContact O-CG 3.4Å; P247-K251 PolarHBondContact O-N 3.49Å; E248-K251 WeakPolarHBondContact O-CB 3.48Å; E248-K251 PolarHBondContact O-N 3.05Å; E248-K251 VanDerWaalsContact O-N 3.16Å; L249-K251 VanDerWaalsContact C-N 3.32Å; L249-K251 PolarHBondContact O-N 3.38Å; K251-Q254 WeakPolarHBondContact O-CB 3.42Å; K251-Q254 PolarHBondContact O-N 2.96Å; K251-Q254 VanDerWaalsContact O-N 3.16Å; K251-I255 WeakPolarHBondContact O-CG1 3.31Å; K251-I255 PolarHBondContact O-N 2.93Å |
| 252 | K | 90.8 | Very high | 88.5 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.4 | -68 | -173.5 | -173.2 | -147.5 | 0 | 111.4 | P217 F220 E221 E248 L249 Q254 I255 V256 I303 | P217-K252 PolarHBondContact O-NZ 3.48Å; F220-K252 HydrophobicContact CD1-CD 4.44Å; E221-K252 WeakPolarHBondContact OE1-CD 3.44Å; E221-K252 VanDerWaalsContact OE1-CE 3.3Å; E221-K252 WeakPolarHBondContact OE1-CE 3.49Å; E221-K252 IonicContact OE1-NZ 3.95Å; E221-K252 PolarHBondContact OE1-NZ 2.71Å; E248-K252 PolarHBondContact O-N 3.3Å; L249-K252 PolarHBondContact O-N 2.88Å; K252-Q254 VanDerWaalsContact C-N 3.31Å; K252-Q254 PolarHBondContact O-N 3.33Å; K252-I255 WeakPolarHBondContact O-CB 3.35Å; K252-I255 PolarHBondContact O-N 3.05Å; K252-I255 VanDerWaalsContact O-N 3.16Å; K252-V256 PolarHBondContact O-N 3.29Å; K252-V256 VanDerWaalsContact O-N 3.08Å; K252-I303 HydrophobicContact CB-CD1 3.68Å; K252-I303 HydrophobicContact CG-CD1 4.1Å; K252-I303 WeakPolarHBondContact O-CD1 3.36Å |
| 253 | L | 90.5 | Very high | 87.9 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -30.8 | 173.8 | -68.4 | 175.4 | 0 | 0 | 0 | 113.5 | F220 F225 V237 E238 V243 L249 V256 K257 | F220-L253 HydrophobicContact CE1-CD2 4.16Å; F220-L253 HydrophobicContact CE1-CG 4.3Å; F220-L253 HydrophobicContact CZ-CD2 4.17Å; F220-L253 HydrophobicContact CZ-CG 4.32Å; F225-L253 HydrophobicContact CD1-CD2 4.35Å; F225-L253 HydrophobicContact CE1-CD2 4.16Å; F225-L253 HydrophobicContact CZ-CD2 4.31Å; V237-L253 HydrophobicContact CG1-CD1 3.93Å; V237-L253 HydrophobicContact CG1-CD2 3.83Å; E238-L253 HydrophobicContact CG-CD1 4.37Å; V243-L253 HydrophobicContact CG1-CD1 3.38Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 2.77Å; L253-V256 PolarHBondContact O-N 2.87Å; L253-K257 WeakPolarHBondContact O-CG 3.47Å; L253-K257 PolarHBondContact O-N 3.26Å |
| 254 | Q | 88.7 | Confident | 86.4 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 171.9 | -173.3 | 56.2 | 45.7 | 0 | 0 | 111.6 | L250 K251 K252 V256 K257 D258 | L250-Q254 PolarHBondContact O-N 3.21Å; K251-Q254 WeakPolarHBondContact O-CB 3.42Å; K251-Q254 PolarHBondContact O-N 2.96Å; K251-Q254 VanDerWaalsContact O-N 3.16Å; K252-Q254 VanDerWaalsContact C-N 3.31Å; K252-Q254 PolarHBondContact O-N 3.33Å; Q254-V256 VanDerWaalsContact C-N 3.33Å; Q254-V256 PolarHBondContact O-N 3.45Å; Q254-K257 WeakPolarHBondContact O-CB 3.23Å; Q254-K257 PolarHBondContact O-N 3.01Å; Q254-D258 VanDerWaalsContact NE2-CG 3.31Å; Q254-D258 PolarHBondContact NE2-OD1 2.88Å; Q254-D258 PolarHBondContact NE2-OD2 2.95Å; Q254-D258 WeakPolarHBondContact O-CB 3.33Å; Q254-D258 PolarHBondContact O-N 3.17Å |
| 255 | I | 89.3 | Confident | 84.8 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.179 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 173.1 | -64.6 | 166.5 | 0 | 0 | 0 | 110.8 | K251 K252 K257 D258 A259 V267 I303 L304 | K251-I255 WeakPolarHBondContact O-CG1 3.31Å; K251-I255 PolarHBondContact O-N 2.93Å; K252-I255 WeakPolarHBondContact O-CB 3.35Å; K252-I255 PolarHBondContact O-N 3.05Å; K252-I255 VanDerWaalsContact O-N 3.16Å; I255-K257 PolarHBondContact O-N 2.85Å; I255-D258 PolarHBondContact O-N 3.43Å; I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 2.85Å; I255-V267 HydrophobicContact CD1-CG2 4.38Å; I255-I303 HydrophobicContact CB-CD1 4.36Å; I255-I303 HydrophobicContact CG2-CD1 4.39Å; I255-L304 HydrophobicContact CG2-CD1 3.9Å; I255-L304 HydrophobicContact CG2-CD2 4.36Å; I255-L304 HydrophobicContact CG2-CG 4.27Å |
| 256 | V | 89.1 | Confident | 83 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 174 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | F225 K252 L253 Q254 A259 Q260 I303 L304 | F225-V256 HydrophobicContact CB-CB 4.44Å; F225-V256 HydrophobicContact CB-CG1 3.7Å; F225-V256 HydrophobicContact CB-CG2 3.81Å; F225-V256 HydrophobicContact CD2-CG2 4.16Å; F225-V256 HydrophobicContact CG-CG2 4.17Å; K252-V256 PolarHBondContact O-N 3.29Å; K252-V256 VanDerWaalsContact O-N 3.08Å; L253-V256 PolarHBondContact O-N 2.87Å; Q254-V256 VanDerWaalsContact C-N 3.33Å; Q254-V256 PolarHBondContact O-N 3.45Å; V256-A259 PolarHBondContact O-N 2.97Å; V256-Q260 HydrophobicContact CG1-CG 4.49Å; V256-Q260 WeakPolarHBondContact O-CB 3.43Å; V256-Q260 VanDerWaalsContact O-CG 3.31Å; V256-Q260 WeakPolarHBondContact O-CG 3.5Å; V256-Q260 PolarHBondContact O-N 3.33Å; V256-I303 HydrophobicContact CG2-CB 4.2Å; V256-I303 HydrophobicContact CG2-CD1 4.27Å; V256-I303 HydrophobicContact CG2-CG1 4.39Å; V256-L304 HydrophobicContact CG2-CD2 4.15Å |
| 257 | K | 87.7 | Confident | 81.1 | Confident | 58 Ų | 58 | 68 Ų | 68 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.8 | -73.8 | 175.2 | 179.5 | -172.9 | 0 | 112.9 | E238 L253 Q254 I255 Q260 Q261 | E238-K257 VanDerWaalsContact CD-CE 3.43Å; E238-K257 WeakPolarHBondContact OE1-CE 3.32Å; E238-K257 IonicContact OE1-NZ 2.87Å; E238-K257 PolarHBondContact OE1-NZ 3.36Å; E238-K257 IonicContact OE2-NZ 2.7Å; E238-K257 PolarHBondContact OE2-NZ 2.78Å; L253-K257 WeakPolarHBondContact O-CG 3.47Å; L253-K257 PolarHBondContact O-N 3.26Å; Q254-K257 WeakPolarHBondContact O-CB 3.23Å; Q254-K257 PolarHBondContact O-N 3.01Å; I255-K257 PolarHBondContact O-N 2.85Å; K257-Q260 PolarHBondContact O-N 3.2Å; K257-Q261 VanDerWaalsContact O-CG 3.29Å; K257-Q261 WeakPolarHBondContact O-CG 3.16Å; K257-Q261 PolarHBondContact O-N 3.29Å; K257-Q261 VanDerWaalsContact O-N 3.1Å |
| 258 | D | 86.9 | Confident | 78.8 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 178.9 | -71.2 | -29.5 | 0 | 0 | 0 | 110 | Q254 I255 Q260 Q261 G262 K263 | Q254-D258 VanDerWaalsContact NE2-CG 3.31Å; Q254-D258 PolarHBondContact NE2-OD1 2.88Å; Q254-D258 PolarHBondContact NE2-OD2 2.95Å; Q254-D258 WeakPolarHBondContact O-CB 3.33Å; Q254-D258 PolarHBondContact O-N 3.17Å; I255-D258 PolarHBondContact O-N 3.43Å; D258-Q260 PolarHBondContact O-N 2.87Å; D258-Q261 CarbonylContact O-C 3.6Å; D258-Q261 WeakPolarHBondContact O-CA 3.48Å; D258-Q261 WeakPolarHBondContact O-CB 3.44Å; D258-Q261 PolarHBondContact O-N 2.95Å; D258-G262 PolarHBondContact O-N 3.49Å; D258-K263 CarbonylContact C-O 3.39Å; D258-K263 VanDerWaalsContact C-O 3.24Å; D258-K263 HydrophobicContact CB-CB 4.06Å; D258-K263 WeakPolarHBondContact O-CA 3.21Å; D258-K263 WeakPolarHBondContact O-CB 3.46Å; D258-K263 PolarHBondContact O-N 3.27Å |
| 259 | A | 85 | Confident | 76.3 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I255 V256 Q261 G262 K263 L304 | I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 2.85Å; V256-A259 PolarHBondContact O-N 2.97Å; A259-Q261 PolarHBondContact O-N 3.21Å; A259-G262 PolarHBondContact O-N 3.11Å; A259-K263 PolarHBondContact N-O 2.81Å; A259-L304 HydrophobicContact CB-CD1 4.12Å; A259-L304 HydrophobicContact CB-CD2 3.67Å |
| 260 | Q | 82.3 | Confident | 73.4 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 27% | 0.271 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -15.5 | 174.4 | -75.3 | -176.4 | 1.5 | 0 | 0 | 114.1 | V256 K257 D258 | V256-Q260 HydrophobicContact CG1-CG 4.49Å; V256-Q260 WeakPolarHBondContact O-CB 3.43Å; V256-Q260 VanDerWaalsContact O-CG 3.31Å; V256-Q260 WeakPolarHBondContact O-CG 3.5Å; V256-Q260 PolarHBondContact O-N 3.33Å; K257-Q260 PolarHBondContact O-N 3.2Å; D258-Q260 PolarHBondContact O-N 2.87Å |
| 261 | Q | 82.7 | Confident | 70.6 | Confident | 117 Ų | 117 | 91.3 Ų | 91.3 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 6.7 | 171.8 | -69.1 | 173.4 | 31.8 | 0 | 0 | 112.8 | K257 D258 A259 K263 | K257-Q261 VanDerWaalsContact O-CG 3.29Å; K257-Q261 WeakPolarHBondContact O-CG 3.16Å; K257-Q261 PolarHBondContact O-N 3.29Å; K257-Q261 VanDerWaalsContact O-N 3.1Å; D258-Q261 CarbonylContact O-C 3.6Å; D258-Q261 WeakPolarHBondContact O-CA 3.48Å; D258-Q261 WeakPolarHBondContact O-CB 3.44Å; D258-Q261 PolarHBondContact O-N 2.95Å; A259-Q261 PolarHBondContact O-N 3.21Å; Q261-K263 VanDerWaalsContact C-N 3.28Å; Q261-K263 HydrophobicContact CB-CD 4.34Å; Q261-K263 HydrophobicContact CB-CG 4.45Å; Q261-K263 PolarHBondContact O-N 3.47Å |
| 262 | G | 78 | Confident | 67.7 | Low | 70 Ų | 70 | 91.1 Ų | 91.1 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D258 A259 | D258-G262 PolarHBondContact O-N 3.49Å; A259-G262 PolarHBondContact O-N 3.11Å |
| 263 | K | 75.1 | Confident | 64.8 | Low | 111 Ų | 111 | 99.5 Ų | 99.5 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | trans | -95.2 | 109.2 | 177.8 | -63.1 | 168.5 | -177.6 | 162.8 | 0 | 109.6 | D258 A259 Q261 | D258-K263 CarbonylContact C-O 3.39Å; D258-K263 VanDerWaalsContact C-O 3.24Å; D258-K263 HydrophobicContact CB-CB 4.06Å; D258-K263 WeakPolarHBondContact O-CA 3.21Å; D258-K263 WeakPolarHBondContact O-CB 3.46Å; D258-K263 PolarHBondContact O-N 3.27Å; A259-K263 PolarHBondContact N-O 2.81Å; Q261-K263 VanDerWaalsContact C-N 3.28Å; Q261-K263 HydrophobicContact CB-CD 4.34Å; Q261-K263 HydrophobicContact CB-CG 4.45Å; Q261-K263 PolarHBondContact O-N 3.47Å | ||
| 264 | F | 60.7 | Low | 61.9 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | trans | -87 | 115.7 | 178 | -120 | -103 | 0 | 0 | 0 | 111.4 | L300 | F264-L300 HydrophobicContact CE1-CD2 3.68Å; F264-L300 HydrophobicContact CZ-CD1 4.44Å; F264-L300 HydrophobicContact CZ-CD2 3.76Å | ||
| 265 | T | 55.9 | Low | 59.1 | Low | 72 Ų | 72 | 110.7 Ų | 110.7 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | trans | -104.2 | 95.9 | 173.1 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | V267 | T265-V267 PolarHBondContact O-N 2.68Š| ||
| 266 | V | 51.6 | Low | 56.3 | Low | 96 Ų | 96 | 114 Ų | 114 | 58% | 0.582 | 59% | 0.586 | S | S | * | * | trans | -66.7 | 115.8 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | K268 | V266-K268 PolarHBondContact O-N 3Å; V266-K268 VanDerWaalsContact O-N 3.07Å | ||
| 267 | V | 51 | Low | 53.4 | Low | 84 Ų | 84 | 123.5 Ų | 123.5 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | trans | -82.8 | 82.3 | -178.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | I255 T265 K269 | I255-V267 HydrophobicContact CD1-CG2 4.38Å; T265-V267 PolarHBondContact O-N 2.68Å; V267-K269 PolarHBondContact O-N 2.84Å | ||
| 268 | K | 42.9 | Very low | 50.7 | Low | 180 Ų | 180 | 129.9 Ų | 129.9 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -56.4 | 107.2 | 178.4 | -65.6 | -174 | 175.9 | -172.8 | 0 | 112 | V266 K270 | V266-K268 PolarHBondContact O-N 3Å; V266-K268 VanDerWaalsContact O-N 3.07Å; K268-K270 PolarHBondContact O-N 2.75Å | ||
| 269 | K | 39.3 | Very low | 47.9 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | -64.4 | 131.4 | 169.1 | -76.3 | 173.1 | -179 | 161.4 | 0 | 110.2 | V267 K271 | V267-K269 PolarHBondContact O-N 2.84Å; K269-K271 PolarHBondContact O-N 2.93Å | ||
| 270 | K | 32.2 | Very low | 45.2 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 89% | 0.887 | 72% | 0.718 | S | S | * | * | trans | -77.4 | 115.2 | 176.3 | -86.2 | -178 | 173.7 | 176.7 | 0 | 110.6 | K268 V272 | K268-K270 PolarHBondContact O-N 2.75Å; K270-V272 PolarHBondContact O-N 2.86Å | ||
| 271 | K | 31.5 | Very low | 42.6 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -55.1 | 119.2 | 168.1 | -76.3 | -174.6 | 174.5 | 179.1 | 0 | 110.6 | K269 K273 | K269-K271 PolarHBondContact O-N 2.93Å; K271-K273 PolarHBondContact O-N 3.32Å | ||
| 272 | V | 30.6 | Very low | 39.9 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -75.8 | 111.8 | 168.6 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | K270 K274 | K270-V272 PolarHBondContact O-N 2.86Å; V272-K274 PolarHBondContact O-N 2.82Å | ||
| 273 | K | 29.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 109.3 | 175.4 | -75.3 | -175.6 | 173 | -177 | 0 | 110.1 | K271 | K271-K273 PolarHBondContact O-N 3.32Š| ||
| 274 | K | 29.6 | Very low | 35.6 | Very low | 207 Ų | 207 | 149.8 Ų | 149.8 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.4 | 156.5 | -85.2 | -175.9 | 174.7 | 177.5 | 0 | 108.5 | V272 | V272-K274 PolarHBondContact O-N 2.82Š|
| 275 | S | 29.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 142.7 | 177.2 | 45.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 276 | S | 30.7 | Very low | 33 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80 | 147.8 | -175.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | ||
| 277 | E | 28.3 | Very low | 31.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -121.4 | 148.8 | 144.5 | -75.5 | -166.3 | 141.8 | 0 | 0 | 110.4 | ||||
| 278 | K | 30.7 | Very low | 31 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -123.9 | 137 | -171.5 | -93.5 | -176.6 | 171.7 | -178.7 | 0 | 111 | ||||
| 279 | Q | 28.3 | Very low | 30.4 | Very low | 189 Ų | 189 | 151.1 Ų | 151.1 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -166 | 113.6 | 145.6 | -101.5 | 156.6 | 60.5 | 0 | 0 | 105.4 | ||||
| 280 | A | 28.5 | Very low | 29.9 | Very low | 91 Ų | 91 | 149.9 Ų | 149.9 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | 53.2 | 119.8 | 69.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 281 | K | 27.9 | Very low | 29.8 | Very low | 175 Ų | 175 | 148.9 Ų | 148.9 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | cis | -157.2 | 169.7 | 25.5 | -74.1 | -161.6 | 122.2 | -139.3 | 0 | 109.4 | ||||
| 282 | D | 26.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 58% | 0.578 | 82% | 0.816 | S | S | * | * | cis | -167.5 | 143.4 | -14.4 | -93.8 | 0.8 | 0 | 0 | 0 | 106.5 | ||||
| 283 | N | 28.2 | Very low | 29.7 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | 166.7 | 144.3 | 139.4 | -90.4 | -28.1 | 0 | 0 | 0 | 113.5 | ||||
| 284 | A | 34.1 | Very low | 29.8 | Very low | 91 Ų | 91 | 149 Ų | 149 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -101.5 | 140.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 285 | V | 30.7 | Very low | 30 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -138.9 | 133.5 | 145.5 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | G287 | V285-G287 PolarHBondContact O-N 3.31Š| ||
| 286 | N | 31.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -68.9 | 122.8 | 176.7 | -72.6 | -24 | 0 | 0 | 0 | 110.8 | ||||
| 287 | G | 27.3 | Very low | 31 | Very low | 61 Ų | 61 | 152.4 Ų | 152.4 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | -139.2 | 109.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | V285 V289 | V285-G287 PolarHBondContact O-N 3.31Å; G287-V289 PolarHBondContact O-N 3.16Å; G287-V289 VanDerWaalsContact O-N 3.14Å | ||
| 288 | A | 33 | Very low | 32.2 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -72.2 | 104.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 289 | V | 29.2 | Very low | 33.8 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -109.4 | 117.4 | 162.2 | -176.5 | 0 | 0 | 0 | 0 | 104 | G287 E291 | G287-V289 PolarHBondContact O-N 3.16Å; G287-V289 VanDerWaalsContact O-N 3.14Å; V289-E291 PolarHBondContact O-N 3.11Å; V289-E291 VanDerWaalsContact O-N 3.1Å | ||
| 290 | D | 28.8 | Very low | 35.9 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -60.9 | 113.7 | 167.6 | -71.8 | -58.7 | 0 | 0 | 0 | 106.8 | E292 | D290-E292 PolarHBondContact O-N 3.28Š| ||
| 291 | E | 30.7 | Very low | 38.6 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | trans | -67.9 | 89.3 | 165 | -72 | -176.4 | 167 | 0 | 0 | 106.3 | V289 E293 | V289-E291 PolarHBondContact O-N 3.11Å; V289-E291 VanDerWaalsContact O-N 3.1Å; E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 2.94Å | ||
| 292 | E | 29 | Very low | 41.3 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -56.5 | 101.3 | 161.4 | -71.3 | -173.5 | 154.7 | 0 | 0 | 106.6 | D290 E294 | D290-E292 PolarHBondContact O-N 3.28Å; E292-E294 PolarHBondContact O-N 3.05Å | ||
| 293 | E | 30.9 | Very low | 44.3 | Very low | 176 Ų | 176 | 122 Ų | 122 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -58.1 | 104.7 | 167.4 | -72 | -167.1 | 138.1 | 0 | 0 | 106.5 | E291 I295 | E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 2.94Å; E293-I295 VanDerWaalsContact C-N 3.31Å; E293-I295 PolarHBondContact O-N 2.68Å | ||
| 294 | E | 31.3 | Very low | 47.3 | Very low | 187 Ų | 187 | 114.1 Ų | 114.1 | 87% | 0.874 | 65% | 0.645 | S | S | * | * | trans | -54.3 | 101.5 | 166.5 | -78.6 | -174.9 | 145.5 | 0 | 0 | 107.4 | E292 E296 | E292-E294 PolarHBondContact O-N 3.05Å; E294-E296 PolarHBondContact O-N 3.46Å | ||
| 295 | I | 33.3 | Very low | 50 | Low | 150 Ų | 150 | 112.2 Ų | 112.2 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | trans | -68.8 | 93.8 | 166.9 | -58.8 | 175.6 | 0 | 0 | 0 | 104.5 | E293 E297 | E293-I295 VanDerWaalsContact C-N 3.31Å; E293-I295 PolarHBondContact O-N 2.68Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 2.8Å | ||
| 296 | E | 39.5 | Very low | 52.9 | Low | 172 Ų | 172 | 109.5 Ų | 109.5 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -50 | 106 | 156.5 | -79.7 | -174.6 | 124.8 | 0 | 0 | 105.9 | E294 D298 | E294-E296 PolarHBondContact O-N 3.46Å; E296-D298 PolarHBondContact O-N 2.89Å | ||
| 297 | E | 42.9 | Very low | 55.8 | Low | 182 Ų | 182 | 105 Ų | 105 | 85% | 0.85 | 58% | 0.581 | S | S | * | * | trans | -58.4 | 105.3 | 168.7 | -72.8 | -168.4 | 139.6 | 0 | 0 | 106.3 | I295 A299 | I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 2.8Å; E297-A299 VanDerWaalsContact C-N 3.29Å; E297-A299 PolarHBondContact O-N 2.84Å | ||
| 298 | D | 53.5 | Low | 59 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | trans | -57.7 | 93.5 | -178.4 | -112.1 | -30.8 | 0 | 0 | 0 | 107.9 | E296 L300 | E296-D298 PolarHBondContact O-N 2.89Å; D298-L300 PolarHBondContact O-N 2.95Å | ||
| 299 | A | 63.3 | Low | 61.9 | Low | 87 Ų | 87 | 101.3 Ų | 101.3 | 72% | 0.719 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 131 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E297 | E297-A299 VanDerWaalsContact C-N 3.29Å; E297-A299 PolarHBondContact O-N 2.84Å |
| 300 | L | 72.8 | Confident | 65 | Low | 90 Ų | 90 | 97.3 Ų | 97.3 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 139.1 | -176.3 | -80.1 | 171.2 | 0 | 0 | 0 | 111.1 | F264 D298 G302 L304 | F264-L300 HydrophobicContact CE1-CD2 3.68Å; F264-L300 HydrophobicContact CZ-CD1 4.44Å; F264-L300 HydrophobicContact CZ-CD2 3.76Å; D298-L300 PolarHBondContact O-N 2.95Å; L300-G302 PolarHBondContact O-N 3.34Å; L300-L304 HydrophobicContact CD2-CD1 4.24Å |
| 301 | P | 84.5 | Confident | 68 | Low | 36 Ų | 36 | 90.3 Ų | 90.3 | 23% | 0.234 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 140.3 | 171.4 | -28 | 35.8 | 0 | 0 | 0 | 111.4 | I303 L304 | P301-I303 HydrophobicContact CB-CD1 4.19Å; P301-I303 HydrophobicContact CB-CG1 3.66Å; P301-I303 PolarHBondContact O-N 2.84Å; P301-L304 WeakPolarHBondContact O-CA 3.28Å; P301-L304 WeakPolarHBondContact O-CB 3.38Å; P301-L304 PolarHBondContact O-N 3.06Å |
| 302 | G | 85.2 | Confident | 71 | Confident | 26 Ų | 26 | 83.5 Ų | 83.5 | 27% | 0.268 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -61 | -30.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | E221 L300 L304 N305 | E221-G302 CarbonylContact O-C 3.58Å; E221-G302 WeakPolarHBondContact O-CA 2.98Å; E221-G302 PolarHBondContact OE2-N 3.27Å; L300-G302 PolarHBondContact O-N 3.34Å; G302-L304 PolarHBondContact O-N 3.34Å; G302-L304 VanDerWaalsContact O-N 3.07Å; G302-N305 WeakPolarHBondContact O-CB 3.46Å; G302-N305 PolarHBondContact O-N 2.88Å |
| 303 | I | 89.9 | Confident | 74.1 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -55.9 | -21.6 | 169.7 | 58.3 | 179.6 | 0 | 0 | 0 | 114.7 | F220 E221 I223 F225 K252 I255 V256 P301 | F220-I303 HydrophobicContact CD1-CG2 4.15Å; F220-I303 WeakPolarHBondContact O-CG2 3.35Å; E221-I303 PolarHBondContact O-N 3.21Å; E221-I303 PolarHBondContact OE2-N 2.81Å; E221-I303 VanDerWaalsContact OE2-N 3.13Å; I223-I303 WeakPolarHBondContact O-CA 3.49Å; F225-I303 HydrophobicContact CD2-CB 3.98Å; F225-I303 HydrophobicContact CD2-CG2 4.02Å; F225-I303 HydrophobicContact CE2-CB 4.48Å; F225-I303 HydrophobicContact CE2-CG2 4.02Å; F225-I303 PolarHBondContact N-O 2.73Å; K252-I303 HydrophobicContact CB-CD1 3.68Å; K252-I303 HydrophobicContact CG-CD1 4.1Å; K252-I303 WeakPolarHBondContact O-CD1 3.36Å; I255-I303 HydrophobicContact CB-CD1 4.36Å; I255-I303 HydrophobicContact CG2-CD1 4.39Å; V256-I303 HydrophobicContact CG2-CB 4.2Å; V256-I303 HydrophobicContact CG2-CD1 4.27Å; V256-I303 HydrophobicContact CG2-CG1 4.39Å; P301-I303 HydrophobicContact CB-CD1 4.19Å; P301-I303 HydrophobicContact CB-CG1 3.66Å; P301-I303 PolarHBondContact O-N 2.84Å |
| 304 | L | 91.1 | Very high | 77 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -102.1 | 5.8 | 177.6 | -62.1 | -171.7 | 0 | 0 | 0 | 113.1 | R226 I255 V256 A259 L300 P301 G302 | R226-L304 WeakPolarHBondContact CG-O 3.46Å; R226-L304 VanDerWaalsContact CZ-O 3.26Å; R226-L304 PolarHBondContact NH1-O 2.99Å; I255-L304 HydrophobicContact CG2-CD1 3.9Å; I255-L304 HydrophobicContact CG2-CD2 4.36Å; I255-L304 HydrophobicContact CG2-CG 4.27Å; V256-L304 HydrophobicContact CG2-CD2 4.15Å; A259-L304 HydrophobicContact CB-CD1 4.12Å; A259-L304 HydrophobicContact CB-CD2 3.67Å; L300-L304 HydrophobicContact CD2-CD1 4.24Å; P301-L304 WeakPolarHBondContact O-CA 3.28Å; P301-L304 WeakPolarHBondContact O-CB 3.38Å; P301-L304 PolarHBondContact O-N 3.06Å; G302-L304 PolarHBondContact O-N 3.34Å; G302-L304 VanDerWaalsContact O-N 3.07Å |
| 305 | N | 90.7 | Very high | 80 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -63.5 | 134.4 | 172.7 | -177.2 | -20.4 | 0 | 0 | 0 | 110.2 | R224 G302 T307 | R224-N305 WeakPolarHBondContact CB-O 3.25Å; R224-N305 HydrophobicContact CG-CB 4.16Å; G302-N305 WeakPolarHBondContact O-CB 3.46Å; G302-N305 PolarHBondContact O-N 2.88Å; N305-T307 VanDerWaalsContact OD1-CB 3.32Å; N305-T307 WeakPolarHBondContact OD1-CB 3.35Å; N305-T307 PolarHBondContact OD1-N 3.5Å; N305-T307 PolarHBondContact OD1-OG1 3.02Å | ||
| 306 | D | 91 | Very high | 83 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | trans | -126.1 | 11.7 | 177.7 | 63.1 | -32.8 | 0 | 0 | 0 | 114.3 | R226 L227 M308 | R226-D306 HydrophobicContact CB-CB 3.77Å; R226-D306 HydrophobicContact CG-CB 4.3Å; R226-D306 VanDerWaalsContact CZ-CG 3.47Å; R226-D306 IonicContact CZ-OD1 3.38Å; R226-D306 IonicContact CZ-OD2 2.68Å; R226-D306 IonicContact NE-OD2 2.69Å; R226-D306 PolarHBondContact NE-OD2 3.47Å; R226-D306 IonicContact NH2-OD1 2.66Å; R226-D306 PolarHBondContact NH2-OD1 2.89Å; R226-D306 IonicContact NH2-OD2 3.63Å; R226-D306 PolarHBondContact NH2-OD2 3.44Å; L227-D306 HydrophobicContact CD2-CB 4.46Å; D306-M308 PolarHBondContact O-N 3.21Å | ||
| 307 | T | 93.4 | Very high | 85.7 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -60 | 120.9 | 163.5 | -57.6 | 0 | 0 | 0 | 0 | 108.2 | D186 R224 L227 N305 | D186-T307 WeakPolarHBondContact OD1-CG2 3.17Å; R224-T307 PolarHBondContact NH1-O 3.48Å; L227-T307 WeakPolarHBondContact CD1-O 3.41Å; N305-T307 VanDerWaalsContact OD1-CB 3.32Å; N305-T307 WeakPolarHBondContact OD1-CB 3.35Å; N305-T307 PolarHBondContact OD1-N 3.5Å; N305-T307 PolarHBondContact OD1-OG1 3.02Å |
| 308 | M | 94.8 | Very high | 88.3 | Confident | 93 Ų | 93 | 45.7 Ų | 45.7 | 46% | 0.458 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 145.1 | 178.1 | -70.6 | -169.8 | -68.9 | 0 | 0 | 111.4 | L227 D306 M312 F313 | L227-M308 HydrophobicContact CD2-CG 4.15Å; D306-M308 PolarHBondContact O-N 3.21Å; M308-M312 HydrophobicContact CB-CB 4.25Å; M308-M312 HydrophobicContact CB-SD 4.1Å; M308-M312 HydrophobicContact CG-SD 4.34Å; M308-F313 HydrophobicContact CB-CE2 3.71Å; M308-F313 HydrophobicContact CB-CZ 3.94Å; M308-F313 HydrophobicContact CE-CD1 4.48Å; M308-F313 HydrophobicContact CE-CE1 3.7Å; M308-F313 HydrophobicContact CE-CE2 4.4Å; M308-F313 HydrophobicContact CE-CZ 3.67Å |
| 309 | R | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 151.1 | 171.9 | -56.6 | -65.3 | -166.2 | 160.2 | 3 | 109.6 | I183 S185 I190 E193 S222 R224 G311 M312 F313 | I183-R309 VanDerWaalsContact O-CZ 3.29Å; I183-R309 PolarHBondContact O-NH1 2.83Å; I183-R309 PolarHBondContact O-NH2 2.84Å; S185-R309 PolarHBondContact O-NH1 3.39Å; I190-R309 HydrophobicContact CD1-CG 4.06Å; I190-R309 HydrophobicContact CG1-CB 3.99Å; I190-R309 HydrophobicContact CG1-CG 3.97Å; E193-R309 IonicContact OE1-CZ 2.64Å; E193-R309 IonicContact OE1-NE 2.69Å; E193-R309 IonicContact OE1-NH2 2.64Å; E193-R309 PolarHBondContact OE1-NH2 2.87Å; E193-R309 WeakPolarHBondContact OE2-CG 3.41Å; E193-R309 IonicContact OE2-CZ 3Å; E193-R309 IonicContact OE2-NE 2.68Å; E193-R309 PolarHBondContact OE2-NE 2.85Å; E193-R309 IonicContact OE2-NH2 2.68Å; E193-R309 PolarHBondContact OE2-NH2 3.46Å; S222-R309 PolarHBondContact O-NH2 3.42Å; R224-R309 VanDerWaalsContact NE-CZ 3.26Å; R309-G311 VanDerWaalsContact C-N 3.25Å; R309-G311 PolarHBondContact O-N 3.01Å; R309-M312 HydrophobicContact CB-CE 4.06Å; R309-M312 HydrophobicContact CB-CG 4.03Å; R309-M312 HydrophobicContact CB-SD 3.86Å; R309-M312 HydrophobicContact CG-CE 3.64Å; R309-M312 HydrophobicContact CG-SD 3.94Å; R309-M312 PolarHBondContact N-SD 2.88Å; R309-M312 VanDerWaalsContact O-CB 3.32Å; R309-M312 WeakPolarHBondContact O-CB 3.44Å; R309-M312 PolarHBondContact O-N 3.48Å; R309-F313 WeakPolarHBondContact O-CD2 3.49Å |
| 310 | F | 93.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 38 Ų | 38 | 17% | 0.167 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -51.1 | -43.2 | 178.1 | 180 | -96.8 | 0 | 0 | 0 | 113.1 | D186 L188 N189 M312 F313 N612 L614 R615 | D186-F310 WeakPolarHBondContact O-CB 3.49Å; D186-F310 PolarHBondContact O-N 3.26Å; L188-F310 PolarHBondContact O-N 3.05Å; N189-F310 HydrophobicContact CB-CD1 4.31Å; F310-M312 PolarHBondContact O-N 3.37Å; F310-F313 WeakPolarHBondContact O-CD2 3.29Å; F310-F313 PolarHBondContact O-N 3.26Å; F310-N612 VanDerWaalsContact CE1-ND2 3.3Å; F310-N612 WeakPolarHBondContact CE1-ND2 3.43Å; F310-N612 PolarHBondContact O-ND2 3.48Å; F310-L614 HydrophobicContact CD2-CD1 4.08Å; F310-L614 HydrophobicContact CE2-CB 3.96Å; F310-L614 HydrophobicContact CE2-CD1 4.36Å; F310-R615 HydrophobicContact CE1-CG 4.49Å; F310-R615 HydrophobicContact CZ-CG 3.66Å |
| 311 | G | 91.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -69.3 | -11.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L188 N189 I190 R309 F313 L314 | L188-G311 PolarHBondContact O-N 2.99Å; N189-G311 WeakPolarHBondContact OD1-CA 3.46Å; I190-G311 CarbonylContact O-C 3.57Å; I190-G311 WeakPolarHBondContact O-CA 3.33Å; R309-G311 VanDerWaalsContact C-N 3.25Å; R309-G311 PolarHBondContact O-N 3.01Å; G311-F313 PolarHBondContact O-N 3.1Å; G311-L314 PolarHBondContact O-N 3.15Å |
| 312 | M | 94.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 32 Ų | 32 | 20% | 0.197 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -77.3 | -6.4 | 177.8 | -65.5 | 170.2 | 175 | 0 | 0 | 113.1 | I190 E193 L227 M308 R309 F310 L314 | I190-M312 PolarHBondContact O-N 3.47Å; E193-M312 HydrophobicContact CB-CE 3.99Å; L227-M312 HydrophobicContact CB-CE 4.14Å; L227-M312 HydrophobicContact CD1-CE 3.92Å; L227-M312 HydrophobicContact CD1-SD 3.82Å; M308-M312 HydrophobicContact CB-CB 4.25Å; M308-M312 HydrophobicContact CB-SD 4.1Å; M308-M312 HydrophobicContact CG-SD 4.34Å; R309-M312 HydrophobicContact CB-CE 4.06Å; R309-M312 HydrophobicContact CB-CG 4.03Å; R309-M312 HydrophobicContact CB-SD 3.86Å; R309-M312 HydrophobicContact CG-CE 3.64Å; R309-M312 HydrophobicContact CG-SD 3.94Å; R309-M312 PolarHBondContact N-SD 2.88Å; R309-M312 VanDerWaalsContact O-CB 3.32Å; R309-M312 WeakPolarHBondContact O-CB 3.44Å; R309-M312 PolarHBondContact O-N 3.48Å; F310-M312 PolarHBondContact O-N 3.37Å; M312-L314 VanDerWaalsContact C-N 3.33Å |
| 313 | F | 93.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 25% | 0.25 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -93.5 | 13.2 | 175.6 | -62 | -97 | 0 | 0 | 0 | 112.9 | M308 R309 F310 G311 N612 V613 L614 | M308-F313 HydrophobicContact CB-CE2 3.71Å; M308-F313 HydrophobicContact CB-CZ 3.94Å; M308-F313 HydrophobicContact CE-CD1 4.48Å; M308-F313 HydrophobicContact CE-CE1 3.7Å; M308-F313 HydrophobicContact CE-CE2 4.4Å; M308-F313 HydrophobicContact CE-CZ 3.67Å; R309-F313 WeakPolarHBondContact O-CD2 3.49Å; F310-F313 WeakPolarHBondContact O-CD2 3.29Å; F310-F313 PolarHBondContact O-N 3.26Å; G311-F313 PolarHBondContact O-N 3.1Å; F313-N612 WeakPolarHBondContact CB-OD1 3.39Å; F313-N612 WeakPolarHBondContact O-CA 3.39Å; F313-V613 HydrophobicContact CB-CG2 4.27Å; F313-V613 PolarHBondContact O-N 2.78Å; F313-V613 VanDerWaalsContact O-N 3.09Å; F313-L614 HydrophobicContact CB-CD1 4.07Å; F313-L614 HydrophobicContact CB-CG 3.84Å; F313-L614 HydrophobicContact CD1-CD1 3.91Å; F313-L614 HydrophobicContact CD1-CD2 4.03Å; F313-L614 HydrophobicContact CD1-CG 3.84Å; F313-L614 HydrophobicContact CD2-CD1 3.41Å; F313-L614 VanDerWaalsContact CD2-CD1 3.41Å; F313-L614 HydrophobicContact CD2-CG 4.11Å; F313-L614 HydrophobicContact CE1-CD1 4.12Å; F313-L614 HydrophobicContact CE1-CD2 4.25Å; F313-L614 HydrophobicContact CE1-CG 4.36Å; F313-L614 HydrophobicContact CE2-CD1 3.66Å; F313-L614 HydrophobicContact CG-CD1 3.53Å; F313-L614 HydrophobicContact CG-CD2 4.38Å; F313-L614 HydrophobicContact CG-CG 3.68Å; F313-L614 HydrophobicContact CZ-CD1 3.99Å |
| 314 | L | 92.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 126.9 | 168.1 | -88.7 | 159 | 0 | 0 | 0 | 110.4 | E191 G311 M312 R610 L611 N612 | E191-L314 HydrophobicContact CG-CB 4.49Å; E191-L314 HydrophobicContact CG-CD1 3.58Å; G311-L314 PolarHBondContact O-N 3.15Å; M312-L314 VanDerWaalsContact C-N 3.33Å; L314-R610 HydrophobicContact CD2-CB 4.17Å; L314-L611 WeakPolarHBondContact CA-O 3.48Å; L314-N612 HydrophobicContact CD2-CB 4.39Å; L314-N612 HydrophobicContact CG-CB 4.32Å |
| 315 | Q | 94.1 | Very high | 93.4 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.7 | 178 | -66.9 | -173.4 | -16.1 | 0 | 0 | 111.2 | L317 R610 L611 V613 | Q315-L317 HydrophobicContact CB-CD2 4.27Å; Q315-L317 HydrophobicContact CB-CG 4.28Å; Q315-L317 PolarHBondContact O-N 2.95Å; Q315-R610 CarbonylContact O-C 3.5Å; Q315-R610 VanDerWaalsContact O-CA 3.28Å; Q315-R610 WeakPolarHBondContact O-CA 3.44Å; Q315-L611 PolarHBondContact N-O 3.15Å; Q315-L611 PolarHBondContact O-N 3.45Å; Q315-V613 HydrophobicContact CB-CG1 4.3Å; Q315-V613 HydrophobicContact CG-CG1 4.21Å; Q315-V613 VanDerWaalsContact OE1-CG1 3.3Å |
| 316 | D | 95.9 | Very high | 93.6 | Very high | 72 Ų | 72 | 34 Ų | 34 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.5 | 169.4 | -68.1 | -22.8 | 0 | 0 | 0 | 108.8 | L553 S554 V609 R610 | D316-L553 HydrophobicContact CB-CD1 3.89Å; D316-L553 HydrophobicContact CB-CG 4.14Å; D316-S554 WeakPolarHBondContact CB-OG 3.25Å; D316-S554 PolarHBondContact OD2-OG 3.24Å; D316-V609 CarbonylContact C-O 3.47Å; D316-V609 WeakPolarHBondContact CA-O 3.49Å; D316-R610 WeakPolarHBondContact OD1-CD 3.44Å; D316-R610 WeakPolarHBondContact OD1-CG 3.11Å |
| 317 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.2 | -176.7 | -59.7 | 177.4 | 0 | 0 | 0 | 111.3 | Q315 A328 D330 V609 L611 V613 L616 | Q315-L317 HydrophobicContact CB-CD2 4.27Å; Q315-L317 HydrophobicContact CB-CG 4.28Å; Q315-L317 PolarHBondContact O-N 2.95Å; L317-A328 HydrophobicContact CB-CB 4.19Å; L317-A328 HydrophobicContact CD1-CB 3.66Å; L317-D330 HydrophobicContact CD2-CB 3.64Å; L317-V609 HydrophobicContact CB-CG2 4.31Å; L317-V609 PolarHBondContact N-O 3.34Å; L317-V609 PolarHBondContact O-N 2.86Å; L317-L611 HydrophobicContact CD1-CB 4.19Å; L317-V613 HydrophobicContact CD1-CG1 4.21Å; L317-L616 HydrophobicContact CD1-CD1 3.84Å |
| 318 | I | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111.6 | 165.9 | -52.2 | -174.7 | 0 | 0 | 0 | 108.3 | M320 A328 Y329 P331 L553 Y558 L560 F606 | I318-M320 HydrophobicContact CB-CE 4.3Å; I318-M320 HydrophobicContact CG2-CE 3.88Å; I318-A328 CarbonylContact O-C 3.34Å; I318-A328 WeakPolarHBondContact O-CA 3.33Å; I318-Y329 HydrophobicContact CD1-CD1 4.34Å; I318-Y329 PolarHBondContact N-O 3.21Å; I318-Y329 PolarHBondContact O-N 2.9Å; I318-P331 HydrophobicContact CD1-CG 4.23Å; I318-P331 HydrophobicContact CG1-CG 4.42Å; I318-L553 HydrophobicContact CG1-CD2 3.81Å; I318-Y558 HydrophobicContact CD1-CD1 4.29Å; I318-Y558 HydrophobicContact CD1-CD2 4.39Å; I318-Y558 HydrophobicContact CD1-CG 4.11Å; I318-L560 HydrophobicContact CD1-CD1 4.45Å; I318-L560 HydrophobicContact CD1-CD2 4Å; I318-L560 HydrophobicContact CG2-CD2 3.73Å; I318-F606 HydrophobicContact CG2-CB 4.43Å; I318-F606 HydrophobicContact CG2-CD1 4.33Å |
| 319 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 132.2 | 174.4 | -156.8 | -127.5 | 0 | 0 | 0 | 110.4 | V321 A326 A328 A339 I359 Y383 W390 F606 L607 V609 L611 | F319-V321 HydrophobicContact CD1-CG2 3.25Å; F319-V321 HydrophobicContact CE1-CG2 3.28Å; F319-V321 HydrophobicContact CG-CG2 4.2Å; F319-V321 HydrophobicContact CZ-CG2 4.25Å; F319-A326 HydrophobicContact CE1-CB 4.18Å; F319-A326 HydrophobicContact CE2-CB 3.98Å; F319-A326 HydrophobicContact CZ-CB 3.6Å; F319-A328 HydrophobicContact CD2-CB 4.34Å; F319-A339 HydrophobicContact CD2-CB 4.43Å; F319-A339 HydrophobicContact CE2-CB 3.55Å; F319-A339 HydrophobicContact CZ-CB 4.36Å; F319-I359 HydrophobicContact CD1-CD1 3.97Å; F319-I359 HydrophobicContact CD1-CG2 4.27Å; F319-I359 HydrophobicContact CE1-CD1 3.81Å; F319-I359 HydrophobicContact CE1-CG2 4.1Å; F319-I359 HydrophobicContact CG-CD1 4.5Å; F319-I359 HydrophobicContact CZ-CD1 4.2Å; F319-Y383 HydrophobicContact CZ-CD2 4.26Å; F319-Y383 HydrophobicContact CZ-CE1 4.44Å; F319-Y383 HydrophobicContact CZ-CE2 4.13Å; F319-Y383 HydrophobicContact CZ-CG 4.47Å; F319-W390 HydrophobicContact CE1-CH2 4.22Å; F319-W390 HydrophobicContact CE1-CZ2 4.06Å; F319-W390 HydrophobicContact CZ-CZ2 4.45Å; F319-F606 CarbonylContact O-C 3.58Å; F319-F606 VanDerWaalsContact O-CA 3.26Å; F319-F606 WeakPolarHBondContact O-CA 3.5Å; F319-L607 HydrophobicContact CB-CB 4.31Å; F319-L607 PolarHBondContact N-O 2.69Å; F319-L607 PolarHBondContact O-N 2.88Å; F319-V609 HydrophobicContact CB-CB 4.21Å; F319-V609 HydrophobicContact CB-CG1 3.51Å; F319-V609 HydrophobicContact CB-CG2 3.63Å; F319-V609 HydrophobicContact CD1-CG1 4.3Å; F319-V609 HydrophobicContact CD2-CG2 4.18Å; F319-V609 HydrophobicContact CG-CG1 4.02Å; F319-V609 HydrophobicContact CG-CG2 4.13Å; F319-L611 HydrophobicContact CD2-CD1 3.58Å; F319-L611 HydrophobicContact CE2-CD1 3.6Å |
| 320 | M | 95.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.4 | -178.8 | -48 | -167.6 | 172 | 0 | 0 | 107.3 | I318 A326 V327 Y329 L560 I598 A601 A604 T605 F606 | I318-M320 HydrophobicContact CB-CE 4.3Å; I318-M320 HydrophobicContact CG2-CE 3.88Å; M320-A326 CarbonylContact O-C 3.55Å; M320-A326 VanDerWaalsContact O-CA 3.27Å; M320-A326 WeakPolarHBondContact O-CA 3.35Å; M320-V327 PolarHBondContact N-O 2.84Å; M320-V327 PolarHBondContact O-N 2.96Å; M320-Y329 HydrophobicContact CE-CD1 4.06Å; M320-Y329 HydrophobicContact CE-CG 4.24Å; M320-L560 HydrophobicContact CE-CD2 3.89Å; M320-I598 HydrophobicContact CE-CD1 3.38Å; M320-I598 HydrophobicContact CE-CG2 4.21Å; M320-I598 HydrophobicContact SD-CB 4.19Å; M320-I598 HydrophobicContact SD-CD1 4.14Å; M320-I598 HydrophobicContact SD-CG2 3.57Å; M320-I598 VanDerWaalsContact SD-CG2 3.57Å; M320-A601 HydrophobicContact SD-CB 3.95Å; M320-A604 HydrophobicContact CB-CB 4.4Å; M320-T605 WeakPolarHBondContact CA-O 3.36Å; M320-F606 HydrophobicContact CB-CD1 4.29Å; M320-F606 HydrophobicContact CB-CE1 4.31Å; M320-F606 HydrophobicContact CE-CD1 3.9Å; M320-F606 HydrophobicContact CE-CE1 3.85Å; M320-F606 HydrophobicContact CG-CD1 3.69Å; M320-F606 HydrophobicContact CG-CE1 3.83Å; M320-F606 HydrophobicContact SD-CD1 3.97Å; M320-F606 HydrophobicContact SD-CE1 3.59Å; M320-F606 VanDerWaalsContact SD-CE1 3.59Å |
| 321 | V | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 122.6 | -176.1 | -164 | 0 | 0 | 0 | 0 | 110.7 | F319 A326 I345 H349 I361 W390 A604 T605 | F319-V321 HydrophobicContact CD1-CG2 3.25Å; F319-V321 HydrophobicContact CE1-CG2 3.28Å; F319-V321 HydrophobicContact CG-CG2 4.2Å; F319-V321 HydrophobicContact CZ-CG2 4.25Å; V321-A326 HydrophobicContact CG1-CB 4.34Å; V321-A326 HydrophobicContact CG2-CB 4.3Å; V321-I345 HydrophobicContact CG1-CD1 3.32Å; V321-I345 HydrophobicContact CG1-CG1 4.08Å; V321-I345 HydrophobicContact CG1-CG2 4.17Å; V321-H349 PolarHBondContact O-CE1 2.69Å; V321-H349 PolarHBondContact O-NE2 3.31Å; V321-H349 VanDerWaalsContact O-NE2 3.15Å; V321-I361 HydrophobicContact CB-CD1 3.94Å; V321-I361 HydrophobicContact CG1-CD1 3.39Å; V321-I361 HydrophobicContact CG2-CD1 4.31Å; V321-W390 HydrophobicContact CG1-CH2 4.3Å; V321-W390 HydrophobicContact CG1-CZ2 3.73Å; V321-W390 HydrophobicContact CG2-CH2 4.45Å; V321-W390 HydrophobicContact CG2-CZ2 4.24Å; V321-A604 CarbonylContact O-C 3.5Å; V321-A604 WeakPolarHBondContact O-CA 3.28Å; V321-A604 WeakPolarHBondContact O-CB 3.4Å; V321-T605 PolarHBondContact N-O 3.03Å; V321-T605 PolarHBondContact O-N 2.99Å |
| 322 | S | 92.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 176.6 | 179.6 | 63.7 | 0 | 0 | 0 | 0 | 111 | S324 G325 I345 Y600 S602 | S322-S324 PolarHBondContact O-N 3.46Å; S322-S324 VanDerWaalsContact O-N 3.17Å; S322-S324 PolarHBondContact OG-N 3Å; S322-S324 PolarHBondContact OG-OG 3.04Å; S322-G325 PolarHBondContact N-O 2.83Å; S322-G325 PolarHBondContact O-N 3.37Å; S322-G325 VanDerWaalsContact O-N 3.16Å; S322-G325 VanDerWaalsContact O-O 3.12Å; S322-I345 WeakPolarHBondContact O-CD1 3.35Å; S322-Y600 PolarHBondContact OG-O 2.84Å; S322-Y600 VanDerWaalsContact OG-O 3.11Å; S322-S602 WeakPolarHBondContact CB-O 3.41Å |
| 323 | D | 90.7 | Very high | 93.5 | Very high | 64 Ų | 64 | 28.5 Ų | 28.5 | 34% | 0.342 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.6 | 171.3 | 55.9 | -23.5 | 0 | 0 | 0 | 113.5 | K347 | D323-K347 HydrophobicContact CB-CB 4.05Š|
| 324 | S | 88.3 | Confident | 93.3 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 44% | 0.441 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9 | 173.7 | 73.6 | 0 | 0 | 0 | 0 | 114.8 | S322 | S322-S324 PolarHBondContact O-N 3.46Å; S322-S324 VanDerWaalsContact O-N 3.17Å; S322-S324 PolarHBondContact OG-N 3Å; S322-S324 PolarHBondContact OG-OG 3.04Å |
| 325 | G | 89.9 | Confident | 93.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.6 | -159.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S322 S340 | S322-G325 PolarHBondContact N-O 2.83Å; S322-G325 PolarHBondContact O-N 3.37Å; S322-G325 VanDerWaalsContact O-N 3.16Å; S322-G325 VanDerWaalsContact O-O 3.12Å; G325-S340 WeakPolarHBondContact CA-O 3.46Å |
| 326 | A | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F319 M320 V321 A339 S340 | F319-A326 HydrophobicContact CE1-CB 4.18Å; F319-A326 HydrophobicContact CE2-CB 3.98Å; F319-A326 HydrophobicContact CZ-CB 3.6Å; M320-A326 CarbonylContact O-C 3.55Å; M320-A326 VanDerWaalsContact O-CA 3.27Å; M320-A326 WeakPolarHBondContact O-CA 3.35Å; V321-A326 HydrophobicContact CG1-CB 4.34Å; V321-A326 HydrophobicContact CG2-CB 4.3Å; A326-A339 HydrophobicContact CB-CB 4.45Å; A326-A339 PolarHBondContact O-N 2.85Å; A326-S340 PolarHBondContact N-O 3.4Å; A326-S340 PolarHBondContact O-N 3.13Å |
| 327 | V | 93.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.7 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 109.2 | M320 C336 Y337 F338 Y600 M619 | M320-V327 PolarHBondContact N-O 2.84Å; M320-V327 PolarHBondContact O-N 2.96Å; V327-C336 HydrophobicContact CG1-CB 4.21Å; V327-Y337 CarbonylContact C-O 3.57Å; V327-Y337 WeakPolarHBondContact CA-O 3.28Å; V327-F338 HydrophobicContact CG2-CD1 3.99Å; V327-F338 HydrophobicContact CG2-CE1 4.14Å; V327-Y600 HydrophobicContact CG2-CD2 4.49Å; V327-Y600 HydrophobicContact CG2-CG 4.49Å; V327-M619 HydrophobicContact CG1-SD 3.84Å; V327-M619 HydrophobicContact CG2-SD 4.25Å |
| 328 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | L317 I318 F319 C336 Y337 L611 L616 | L317-A328 HydrophobicContact CB-CB 4.19Å; L317-A328 HydrophobicContact CD1-CB 3.66Å; I318-A328 CarbonylContact O-C 3.34Å; I318-A328 WeakPolarHBondContact O-CA 3.33Å; F319-A328 HydrophobicContact CD2-CB 4.34Å; A328-C336 CarbonylContact O-C 3.59Å; A328-C336 WeakPolarHBondContact O-CA 3.1Å; A328-Y337 PolarHBondContact N-O 3.47Å; A328-Y337 PolarHBondContact O-N 3.34Å; A328-L611 HydrophobicContact CB-CD1 3.98Å; A328-L616 HydrophobicContact CB-CD1 3.94Å |
| 329 | Y | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.2 | -179.2 | 173.2 | -122.1 | 0 | 0 | 0 | 110.8 | I318 M320 P331 N334 E335 C336 V581 L595 I598 | I318-Y329 HydrophobicContact CD1-CD1 4.34Å; I318-Y329 PolarHBondContact N-O 3.21Å; I318-Y329 PolarHBondContact O-N 2.9Å; M320-Y329 HydrophobicContact CE-CD1 4.06Å; M320-Y329 HydrophobicContact CE-CG 4.24Å; Y329-P331 HydrophobicContact CD1-CB 4.29Å; Y329-P331 HydrophobicContact CE1-CB 3.73Å; Y329-P331 WeakPolarHBondContact O-CD 3.42Å; Y329-N334 PolarHBondContact OH-OD1 3.46Å; Y329-E335 WeakPolarHBondContact CA-O 3.27Å; Y329-E335 WeakPolarHBondContact CD2-O 3.37Å; Y329-C336 VanDerWaalsContact CD2-SG 3.58Å; Y329-V581 HydrophobicContact CE1-CG1 4.42Å; Y329-V581 HydrophobicContact CE1-CG2 4.24Å; Y329-L595 HydrophobicContact CE2-CD1 3.74Å; Y329-L595 WeakPolarHBondContact OH-CD1 3.26Å; Y329-I598 HydrophobicContact CD1-CD1 3.55Å; Y329-I598 HydrophobicContact CD2-CD1 4.19Å; Y329-I598 HydrophobicContact CE1-CD1 3.72Å; Y329-I598 HydrophobicContact CE2-CD1 4.34Å; Y329-I598 HydrophobicContact CG-CD1 3.8Å |
| 330 | D | 94.8 | Very high | 92.4 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 107.8 | 166.2 | -178.7 | -5.5 | 0 | 0 | 0 | 109.2 | L317 T332 A333 N334 E335 | L317-D330 HydrophobicContact CD2-CB 3.64Å; D330-T332 PolarHBondContact O-N 3.27Å; D330-T332 WeakPolarHBondContact OD1-CA 3.45Å; D330-T332 VanDerWaalsContact OD1-CB 3.23Å; D330-T332 WeakPolarHBondContact OD1-CB 3.38Å; D330-T332 PolarHBondContact OD1-N 2.96Å; D330-T332 PolarHBondContact OD1-OG1 3.11Å; D330-A333 HydrophobicContact CB-CB 4.33Å; D330-A333 PolarHBondContact OD1-N 3.19Å; D330-A333 WeakPolarHBondContact OD2-CB 3.49Å; D330-A333 PolarHBondContact OD2-N 2.98Å; D330-N334 WeakPolarHBondContact O-CA 3.42Å; D330-N334 PolarHBondContact O-N 3.17Å; D330-E335 PolarHBondContact N-O 2.85Å; D330-E335 PolarHBondContact O-N 3.44Å |
| 331 | P | 91.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.4 | 177.2 | 31.7 | -36.6 | 0 | 0 | 0 | 114.2 | I318 Y329 L553 Y558 | I318-P331 HydrophobicContact CD1-CG 4.23Å; I318-P331 HydrophobicContact CG1-CG 4.42Å; Y329-P331 HydrophobicContact CD1-CB 4.29Å; Y329-P331 HydrophobicContact CE1-CB 3.73Å; Y329-P331 WeakPolarHBondContact O-CD 3.42Å; P331-L553 HydrophobicContact CG-CD2 3.96Å; P331-Y558 HydrophobicContact CB-CE1 3.61Å; P331-Y558 HydrophobicContact CG-CE1 3.93Å; P331-Y558 HydrophobicContact CG-CE2 4.23Å; P331-Y558 WeakPolarHBondContact CG-OH 3.44Å |
| 332 | T | 89.8 | Confident | 91.1 | Very high | 121 Ų | 121 | 36.8 Ų | 36.8 | 74% | 0.742 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -51.5 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 111.2 | D330 N334 | D330-T332 PolarHBondContact O-N 3.27Å; D330-T332 WeakPolarHBondContact OD1-CA 3.45Å; D330-T332 VanDerWaalsContact OD1-CB 3.23Å; D330-T332 WeakPolarHBondContact OD1-CB 3.38Å; D330-T332 PolarHBondContact OD1-N 2.96Å; D330-T332 PolarHBondContact OD1-OG1 3.11Å; T332-N334 VanDerWaalsContact C-N 3.3Å |
| 333 | A | 91.7 | Very high | 90 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 46% | 0.463 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | D330 E335 | D330-A333 HydrophobicContact CB-CB 4.33Å; D330-A333 PolarHBondContact OD1-N 3.19Å; D330-A333 WeakPolarHBondContact OD2-CB 3.49Å; D330-A333 PolarHBondContact OD2-N 2.98Å; A333-E335 HydrophobicContact CB-CG 3.84Å |
| 334 | N | 90.6 | Very high | 89.4 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 47 | -172.6 | -167 | 62.1 | 0 | 0 | 0 | 112.6 | Y329 D330 T332 L595 | Y329-N334 PolarHBondContact OH-OD1 3.46Å; D330-N334 WeakPolarHBondContact O-CA 3.42Å; D330-N334 PolarHBondContact O-N 3.17Å; T332-N334 VanDerWaalsContact C-N 3.3Å; N334-L595 WeakPolarHBondContact OD1-CD1 3.23Å |
| 335 | E | 91.9 | Very high | 89.5 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143 | -177.9 | -58.1 | -161.6 | 154.3 | 0 | 0 | 111.8 | Y329 D330 A333 Y337 K618 | Y329-E335 WeakPolarHBondContact CA-O 3.27Å; Y329-E335 WeakPolarHBondContact CD2-O 3.37Å; D330-E335 PolarHBondContact N-O 2.85Å; D330-E335 PolarHBondContact O-N 3.44Å; A333-E335 HydrophobicContact CB-CG 3.84Å; E335-Y337 HydrophobicContact CB-CE2 3.92Å; E335-Y337 PolarHBondContact OE2-OH 3.07Å; E335-K618 IonicContact OE1-NZ 3.31Å; E335-K618 PolarHBondContact OE1-NZ 3.07Å; E335-K618 WeakPolarHBondContact OE2-CE 3.11Å; E335-K618 IonicContact OE2-NZ 2.61Å; E335-K618 PolarHBondContact OE2-NZ 3.47Å |
| 336 | C | 92 | Very high | 89.6 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 147.6 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | V327 A328 Y329 M619 | V327-C336 HydrophobicContact CG1-CB 4.21Å; A328-C336 CarbonylContact O-C 3.59Å; A328-C336 WeakPolarHBondContact O-CA 3.1Å; Y329-C336 VanDerWaalsContact CD2-SG 3.58Å; C336-M619 HydrophobicContact CB-CB 4.28Å; C336-M619 HydrophobicContact CB-CG 4.24Å; C336-M619 HydrophobicContact CB-SD 3.5Å; C336-M619 WeakPolarHBondContact CB-SD 3.43Å; C336-M619 PolarHBondContact O-N 2.94Å; C336-M619 VanDerWaalsContact O-N 3.08Å |
| 337 | Y | 93.6 | Very high | 89.5 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 9% | 0.09 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.9 | 178.3 | -52.5 | -98.8 | 0 | 0 | 0 | 110.2 | V327 A328 E335 A339 V613 L616 T617 K618 | V327-Y337 CarbonylContact C-O 3.57Å; V327-Y337 WeakPolarHBondContact CA-O 3.28Å; A328-Y337 PolarHBondContact N-O 3.47Å; A328-Y337 PolarHBondContact O-N 3.34Å; E335-Y337 HydrophobicContact CB-CE2 3.92Å; E335-Y337 PolarHBondContact OE2-OH 3.07Å; Y337-A339 PolarHBondContact O-N 3.02Å; Y337-V613 HydrophobicContact CE1-CB 4.46Å; Y337-V613 HydrophobicContact CE2-CG1 4.46Å; Y337-L616 HydrophobicContact CD1-CB 4.2Å; Y337-L616 HydrophobicContact CG-CB 4.18Å; Y337-L616 HydrophobicContact CG-CD1 4.23Å; Y337-T617 CarbonylContact C-O 3.48Å; Y337-T617 WeakPolarHBondContact CA-O 3.28Å; Y337-K618 HydrophobicContact CD1-CB 3.87Å; Y337-K618 HydrophobicContact CD1-CG 4.28Å; Y337-K618 HydrophobicContact CE1-CB 3.99Å; Y337-K618 HydrophobicContact CE1-CD 4.24Å; Y337-K618 HydrophobicContact CE1-CG 4.12Å |
| 338 | F | 92.1 | Very high | 89.5 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 25% | 0.254 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.1 | 164.2 | -74.3 | -66.9 | 0 | 0 | 0 | 109.6 | V327 L341 Y600 T617 M619 | V327-F338 HydrophobicContact CG2-CD1 3.99Å; V327-F338 HydrophobicContact CG2-CE1 4.14Å; F338-L341 HydrophobicContact CD1-CD2 4.01Å; F338-L341 HydrophobicContact CE1-CD2 4.4Å; F338-L341 HydrophobicContact CG-CD2 4.31Å; F338-Y600 HydrophobicContact CE1-CD2 4.23Å; F338-Y600 HydrophobicContact CE1-CE2 4.21Å; F338-Y600 HydrophobicContact CE1-CG 4.45Å; F338-Y600 HydrophobicContact CZ-CD2 4.31Å; F338-Y600 AromaticContact CZ-CE2 3.86Å; F338-Y600 HydrophobicContact CZ-CE2 3.86Å; F338-Y600 AromaticContact CZ-CZ 3.95Å; F338-T617 PolarHBondContact N-O 3.27Å; F338-T617 PolarHBondContact O-N 3.19Å; F338-M619 HydrophobicContact CD1-SD 4.41Å; F338-M619 HydrophobicContact CD2-CG 3.54Å; F338-M619 HydrophobicContact CD2-SD 4.18Å; F338-M619 HydrophobicContact CE1-CE 4.14Å; F338-M619 HydrophobicContact CE1-SD 4.34Å; F338-M619 HydrophobicContact CE2-CE 3.89Å; F338-M619 HydrophobicContact CE2-CG 3.66Å; F338-M619 HydrophobicContact CE2-SD 4.11Å; F338-M619 HydrophobicContact CG-CG 4.13Å; F338-M619 HydrophobicContact CG-SD 4.32Å; F338-M619 HydrophobicContact CZ-CE 3.66Å; F338-M619 HydrophobicContact CZ-CG 4.33Å; F338-M619 HydrophobicContact CZ-SD 4.19Å |
| 339 | A | 92.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -26.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F319 A326 Y337 Y383 S388 L611 L616 | F319-A339 HydrophobicContact CD2-CB 4.43Å; F319-A339 HydrophobicContact CE2-CB 3.55Å; F319-A339 HydrophobicContact CZ-CB 4.36Å; A326-A339 HydrophobicContact CB-CB 4.45Å; A326-A339 PolarHBondContact O-N 2.85Å; Y337-A339 PolarHBondContact O-N 3.02Å; A339-Y383 PolarHBondContact O-OH 2.81Å; A339-S388 WeakPolarHBondContact O-CB 3.29Å; A339-L611 HydrophobicContact CB-CD1 4.43Å; A339-L616 HydrophobicContact CB-CD2 3.83Å |
| 340 | S | 90.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 142.9 | 166.5 | -164 | 0 | 0 | 0 | 0 | 111.6 | G325 A326 S342 S388 | G325-S340 WeakPolarHBondContact CA-O 3.46Å; A326-S340 PolarHBondContact N-O 3.4Å; A326-S340 PolarHBondContact O-N 3.13Å; S340-S342 WeakPolarHBondContact OG-CB 3.49Å; S340-S342 PolarHBondContact OG-N 3.37Å; S340-S388 VanDerWaalsContact CB-O 3.24Å; S340-S388 WeakPolarHBondContact CB-O 3.24Å; S340-S388 PolarHBondContact OG-O 2.75Å |
| 341 | L | 84.3 | Confident | 89.7 | Confident | 137 Ų | 137 | 55.4 Ų | 55.4 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | trans | -100 | 8.5 | 172.1 | -60.6 | 177.2 | 0 | 0 | 0 | 112.3 | F338 A343 | F338-L341 HydrophobicContact CD1-CD2 4.01Å; F338-L341 HydrophobicContact CE1-CD2 4.4Å; F338-L341 HydrophobicContact CG-CD2 4.31Å; L341-A343 PolarHBondContact O-N 3.13Å | ||
| 342 | S | 79.4 | Confident | 90 | Very high | 15 Ų | 15 | 56 Ų | 56 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | trans | -78.1 | 109.5 | -173 | -163.4 | 0 | 0 | 0 | 0 | 111.7 | S340 Q344 D389 | S340-S342 WeakPolarHBondContact OG-CB 3.49Å; S340-S342 PolarHBondContact OG-N 3.37Å; S342-Q344 PolarHBondContact O-N 3.01Å; S342-Q344 VanDerWaalsContact O-N 3.14Å; S342-Q344 PolarHBondContact OG-NE2 3.5Å; S342-D389 WeakPolarHBondContact CB-OD1 3.46Å; S342-D389 PolarHBondContact OG-OD1 3.36Å | ||
| 343 | A | 70.3 | Confident | 90.4 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 63% | 0.628 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 24.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L341 I345 | L341-A343 PolarHBondContact O-N 3.13Å; A343-I345 VanDerWaalsContact C-N 3.26Å |
| 344 | Q | 78.2 | Confident | 90.6 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.2 | 178.5 | -61.8 | -174.7 | 53 | 0 | 0 | 112.9 | S342 | S342-Q344 PolarHBondContact O-N 3.01Å; S342-Q344 VanDerWaalsContact O-N 3.14Å; S342-Q344 PolarHBondContact OG-NE2 3.5Å |
| 345 | I | 89.8 | Confident | 90.7 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -78.9 | 125.2 | -178 | -62.7 | 148.9 | 0 | 0 | 0 | 109.8 | V321 S322 A343 K347 I361 W390 | V321-I345 HydrophobicContact CG1-CD1 3.32Å; V321-I345 HydrophobicContact CG1-CG1 4.08Å; V321-I345 HydrophobicContact CG1-CG2 4.17Å; S322-I345 WeakPolarHBondContact O-CD1 3.35Å; A343-I345 VanDerWaalsContact C-N 3.26Å; I345-K347 PolarHBondContact O-N 3.15Å; I345-I361 HydrophobicContact CG2-CD1 4.27Å; I345-W390 HydrophobicContact CD1-CZ2 4.25Å; I345-W390 HydrophobicContact CG1-CD2 4.37Å; I345-W390 HydrophobicContact CG1-CG 4.43Å |
| 346 | P | 91.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 131.4 | 175.7 | 26.9 | -31 | 0 | 0 | 0 | 110.8 | N348 H349 G363 Y379 | P346-N348 VanDerWaalsContact C-N 3.3Å; P346-N348 CarbonylContact O-C 3.55Å; P346-N348 PolarHBondContact O-N 2.9Å; P346-N348 VanDerWaalsContact O-N 3.17Å; P346-H349 HydrophobicContact CG-CB 4.28Å; P346-H349 WeakPolarHBondContact O-CB 3.28Å; P346-H349 PolarHBondContact O-ND1 2.99Å; P346-G363 VanDerWaalsContact CG-C 3.47Å; P346-Y379 HydrophobicContact CB-CD2 4.19Å; P346-Y379 HydrophobicContact CG-CD2 4.02Å | ||
| 347 | K | 91.1 | Very high | 90.8 | Very high | 117 Ų | 117 | 52.2 Ų | 52.2 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -46.4 | -49.9 | -179.9 | -177.5 | 168.5 | -176.2 | 151.8 | 0 | 113.8 | D323 I345 H349 | D323-K347 HydrophobicContact CB-CB 4.05Å; I345-K347 PolarHBondContact O-N 3.15Å; K347-H349 PolarHBondContact O-N 3.29Å; K347-H349 PolarHBondContact O-ND1 3.42Å |
| 348 | N | 93 | Very high | 90.8 | Very high | 133 Ų | 133 | 53.8 Ų | 53.8 | 71% | 0.711 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -86.6 | 94.2 | 174.9 | -66.7 | -32.1 | 0 | 0 | 0 | 109.7 | P346 G363 G364 | P346-N348 VanDerWaalsContact C-N 3.3Å; P346-N348 CarbonylContact O-C 3.55Å; P346-N348 PolarHBondContact O-N 2.9Å; P346-N348 VanDerWaalsContact O-N 3.17Å; N348-G363 WeakPolarHBondContact O-CA 3.31Å; N348-G364 PolarHBondContact O-N 2.77Å |
| 349 | H | 95.5 | Very high | 91.1 | Very high | 25 Ų | 25 | 51 Ų | 51 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 170 | 177.9 | 69.3 | -81.5 | 0 | 0 | 0 | 112.1 | V321 P346 K347 I361 V362 T605 | V321-H349 PolarHBondContact O-CE1 2.69Å; V321-H349 PolarHBondContact O-NE2 3.31Å; V321-H349 VanDerWaalsContact O-NE2 3.15Å; P346-H349 HydrophobicContact CG-CB 4.28Å; P346-H349 WeakPolarHBondContact O-CB 3.28Å; P346-H349 PolarHBondContact O-ND1 2.99Å; K347-H349 PolarHBondContact O-N 3.29Å; K347-H349 PolarHBondContact O-ND1 3.42Å; H349-I361 HydrophobicContact CB-CG2 3.72Å; H349-V362 WeakPolarHBondContact CA-O 3.26Å; H349-T605 PolarHBondContact CD2-OG1 3.12Å; H349-T605 WeakPolarHBondContact NE2-CG2 3.43Å; H349-T605 PolarHBondContact NE2-OG1 2.94Å |
| 350 | I | 96.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.7 | 164.7 | 179 | 165.7 | 0 | 0 | 0 | 107.7 | I361 V362 F403 L405 | I350-I361 WeakPolarHBondContact O-CA 3.47Å; I350-V362 PolarHBondContact N-O 3.12Å; I350-V362 PolarHBondContact O-N 3.41Å; I350-F403 HydrophobicContact CG2-CD2 3.89Å; I350-F403 HydrophobicContact CG2-CE2 3.19Å; I350-F403 HydrophobicContact CG2-CZ 3.56Å; I350-L405 HydrophobicContact CB-CD1 4.42Å; I350-L405 HydrophobicContact CD1-CB 4.35Å; I350-L405 HydrophobicContact CD1-CG 4.42Å; I350-L405 HydrophobicContact CG1-CB 4.37Å; I350-L405 HydrophobicContact CG1-CD1 4.19Å; I350-L405 HydrophobicContact CG1-CG 4.16Å; I350-L405 HydrophobicContact CG2-CD1 3.84Å; I350-L405 HydrophobicContact CG2-CG 3.72Å; I350-L405 WeakPolarHBondContact O-CD1 3.35Å |
| 351 | S | 97.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 158.1 | -178 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | F360 T605 L607 | S351-F360 CarbonylContact C-O 3.54Å; S351-F360 VanDerWaalsContact CA-O 3.27Å; S351-F360 WeakPolarHBondContact CA-O 3.36Å; S351-T605 VanDerWaalsContact CB-OG1 3.27Å; S351-T605 WeakPolarHBondContact CB-OG1 3.42Å; S351-T605 VanDerWaalsContact OG-CB 3.24Å; S351-T605 WeakPolarHBondContact OG-CB 3.47Å; S351-T605 PolarHBondContact OG-OG1 3.46Å; S351-L607 WeakPolarHBondContact OG-CD1 3.36Å; S351-L607 WeakPolarHBondContact OG-CG 3.42Å |
| 352 | L | 97.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 139.6 | 179.7 | 177.6 | 68.1 | 0 | 0 | 0 | 109 | I359 F360 L405 E407 I412 | L352-I359 WeakPolarHBondContact O-CA 3.31Å; L352-F360 PolarHBondContact N-O 3.23Å; L352-F360 PolarHBondContact O-N 3.25Å; L352-L405 HydrophobicContact CB-CB 4.01Å; L352-L405 HydrophobicContact CB-CD1 3.93Å; L352-L405 HydrophobicContact CD2-CB 4.25Å; L352-E407 HydrophobicContact CD2-CB 4.15Å; L352-I412 HydrophobicContact CD2-CD1 4.03Å; L352-I412 HydrophobicContact CD2-CG2 3.95Å |
| 353 | V | 97.9 | Very high | 92.9 | Very high | 28 Ų | 28 | 43.4 Ų | 43.4 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.8 | 168.2 | 62.6 | 0 | 0 | 0 | 0 | 108.9 | Q358 I359 L607 P608 V609 | V353-Q358 CarbonylContact C-O 3.5Å; V353-Q358 WeakPolarHBondContact CA-O 3.24Å; V353-I359 HydrophobicContact CG2-CG1 4.25Å; V353-L607 HydrophobicContact CB-CB 4.47Å; V353-L607 HydrophobicContact CB-CD1 4.24Å; V353-L607 HydrophobicContact CB-CD2 4.5Å; V353-L607 HydrophobicContact CG1-CB 4.4Å; V353-L607 HydrophobicContact CG1-CD2 4.26Å; V353-P608 HydrophobicContact CG1-CG 4.36Å; V353-P608 WeakPolarHBondContact CG1-O 3.31Å; V353-V609 HydrophobicContact CG2-CG1 4.26Å |
| 354 | T | 96.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | trans | -82.4 | 162 | 176.2 | 72 | 0 | 0 | 0 | 0 | 111.9 | E356 N357 Q358 F360 E407 I412 | T354-E356 PolarHBondContact O-N 2.95Å; T354-E356 PolarHBondContact OG1-N 3.1Å; T354-N357 WeakPolarHBondContact O-CA 3.5Å; T354-N357 PolarHBondContact O-N 2.69Å; T354-N357 PolarHBondContact OG1-N 2.8Å; T354-Q358 HydrophobicContact CG2-CB 3.99Å; T354-Q358 PolarHBondContact N-O 2.87Å; T354-Q358 WeakPolarHBondContact OG1-CB 3.36Å; T354-Q358 PolarHBondContact OG1-N 2.91Å; T354-F360 HydrophobicContact CG2-CD2 3.92Å; T354-F360 HydrophobicContact CG2-CE2 3.72Å; T354-E407 WeakPolarHBondContact CA-OE2 3.47Å; T354-E407 WeakPolarHBondContact CB-OE2 3.46Å; T354-E407 WeakPolarHBondContact CG2-OE2 3.47Å; T354-I412 HydrophobicContact CG2-CD1 4.03Å | ||
| 355 | K | 92.6 | Very high | 94.4 | Very high | 117 Ų | 117 | 38.9 Ų | 38.9 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -32.5 | 165.3 | -73 | 156.7 | 174.1 | -174.6 | 0 | 113.6 | N357 E407 D460 | K355-N357 PolarHBondContact O-N 3.1Å; K355-E407 VanDerWaalsContact CG-OE1 3.31Å; K355-E407 WeakPolarHBondContact CG-OE1 3.32Å; K355-E407 PolarHBondContact N-OE1 3.37Å; K355-D460 IonicContact NZ-OD1 2.72Å; K355-D460 PolarHBondContact NZ-OD1 2.97Å; K355-D460 IonicContact NZ-OD2 3.53Å; K355-D460 PolarHBondContact NZ-OD2 3.16Å |
| 356 | E | 90.8 | Very high | 94 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 12.4 | 175.4 | -55 | 79.5 | -129.3 | 0 | 0 | 113.5 | T354 Q358 R435 | T354-E356 PolarHBondContact O-N 2.95Å; T354-E356 PolarHBondContact OG1-N 3.1Å; E356-Q358 VanDerWaalsContact C-N 3.26Å; E356-Q358 PolarHBondContact O-N 2.99Å; E356-R435 IonicContact OE2-CZ 2.73Å; E356-R435 VanDerWaalsContact OE2-CZ 3.31Å; E356-R435 IonicContact OE2-NH1 2.65Å; E356-R435 PolarHBondContact OE2-NH1 3.12Å; E356-R435 IonicContact OE2-NH2 2.68Å; E356-R435 PolarHBondContact OE2-NH2 3.41Å |
| 357 | N | 93.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | trans | 61.3 | 29.1 | 179.9 | -170.3 | 66 | 0 | 0 | 0 | 113.8 | T354 K355 H385 R610 | T354-N357 WeakPolarHBondContact O-CA 3.5Å; T354-N357 PolarHBondContact O-N 2.69Å; T354-N357 PolarHBondContact OG1-N 2.8Å; K355-N357 PolarHBondContact O-N 3.1Å; N357-H385 PolarHBondContact ND2-CE1 2.01Å; N357-H385 VanDerWaalsContact ND2-CE1 3.32Å; N357-H385 PolarHBondContact O-CE1 3.24Å; N357-H385 PolarHBondContact O-NE2 3.2Å; N357-R610 PolarHBondContact ND2-O 3.38Å; N357-R610 PolarHBondContact OD1-N 2.61Å | ||
| 358 | Q | 95.4 | Very high | 93 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | trans | -84.5 | 133.3 | 167.9 | -59.9 | -177.2 | -19.1 | 0 | 0 | 108.7 | V353 T354 E356 F360 R435 | V353-Q358 CarbonylContact C-O 3.5Å; V353-Q358 WeakPolarHBondContact CA-O 3.24Å; T354-Q358 HydrophobicContact CG2-CB 3.99Å; T354-Q358 PolarHBondContact N-O 2.87Å; T354-Q358 WeakPolarHBondContact OG1-CB 3.36Å; T354-Q358 PolarHBondContact OG1-N 2.91Å; E356-Q358 VanDerWaalsContact C-N 3.26Å; E356-Q358 PolarHBondContact O-N 2.99Å; Q358-F360 HydrophobicContact CB-CD2 4.35Å; Q358-F360 HydrophobicContact CB-CE2 3.67Å; Q358-F360 HydrophobicContact CB-CZ 4.31Å; Q358-R435 VanDerWaalsContact CD-NH2 3.34Å; Q358-R435 VanDerWaalsContact OE1-NE 3.11Å | ||
| 359 | I | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.5 | -177.2 | -54.7 | 162 | 0 | 0 | 0 | 108.2 | F319 L352 V353 Q382 Y383 W390 L607 V609 | F319-I359 HydrophobicContact CD1-CD1 3.97Å; F319-I359 HydrophobicContact CD1-CG2 4.27Å; F319-I359 HydrophobicContact CE1-CD1 3.81Å; F319-I359 HydrophobicContact CE1-CG2 4.1Å; F319-I359 HydrophobicContact CG-CD1 4.5Å; F319-I359 HydrophobicContact CZ-CD1 4.2Å; L352-I359 WeakPolarHBondContact O-CA 3.31Å; V353-I359 HydrophobicContact CG2-CG1 4.25Å; I359-Q382 WeakPolarHBondContact O-CA 3.39Å; I359-Y383 HydrophobicContact CD1-CD1 3.96Å; I359-Y383 HydrophobicContact CD1-CG 4.44Å; I359-Y383 PolarHBondContact O-N 3.17Å; I359-W390 HydrophobicContact CG2-CH2 3.89Å; I359-W390 HydrophobicContact CG2-CZ3 4.34Å; I359-L607 HydrophobicContact CG2-CD1 3.68Å; I359-V609 HydrophobicContact CD1-CB 4.24Å; I359-V609 HydrophobicContact CD1-CG1 3.62Å; I359-V609 HydrophobicContact CG1-CG1 4Å |
| 360 | F | 97.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146 | -178.3 | -71.4 | -78.9 | 0 | 0 | 0 | 110.9 | S351 L352 T354 Q358 F380 L381 Q382 I412 R435 | S351-F360 CarbonylContact C-O 3.54Å; S351-F360 VanDerWaalsContact CA-O 3.27Å; S351-F360 WeakPolarHBondContact CA-O 3.36Å; L352-F360 PolarHBondContact N-O 3.23Å; L352-F360 PolarHBondContact O-N 3.25Å; T354-F360 HydrophobicContact CG2-CD2 3.92Å; T354-F360 HydrophobicContact CG2-CE2 3.72Å; Q358-F360 HydrophobicContact CB-CD2 4.35Å; Q358-F360 HydrophobicContact CB-CE2 3.67Å; Q358-F360 HydrophobicContact CB-CZ 4.31Å; F360-F380 HydrophobicContact CB-CE2 4.02Å; F360-F380 HydrophobicContact CD1-CD2 4.48Å; F360-F380 AromaticContact CD1-CE2 3.49Å; F360-F380 HydrophobicContact CD1-CE2 3.49Å; F360-F380 VanDerWaalsContact CD1-CE2 3.49Å; F360-F380 AromaticContact CD1-CZ 3.52Å; F360-F380 HydrophobicContact CD1-CZ 3.52Å; F360-F380 HydrophobicContact CE1-CE2 4.31Å; F360-F380 AromaticContact CE1-CZ 3.88Å; F360-F380 HydrophobicContact CE1-CZ 3.88Å; F360-F380 HydrophobicContact CG-CE2 4.06Å; F360-F380 HydrophobicContact CG-CZ 4.31Å; F360-L381 CarbonylContact C-O 3.49Å; F360-L381 WeakPolarHBondContact CA-O 3.44Å; F360-Q382 HydrophobicContact CD1-CB 3.87Å; F360-Q382 HydrophobicContact CD1-CG 4Å; F360-Q382 HydrophobicContact CE1-CB 3.71Å; F360-Q382 HydrophobicContact CE1-CG 3.6Å; F360-Q382 VanDerWaalsContact CE1-OE1 3.3Å; F360-Q382 HydrophobicContact CZ-CG 3.98Å; F360-I412 HydrophobicContact CD2-CD1 3.99Å; F360-I412 HydrophobicContact CD2-CG1 4.24Å; F360-I412 HydrophobicContact CE2-CD1 4.04Å; F360-I412 HydrophobicContact CE2-CG1 4.26Å; F360-R435 HydrophobicContact CZ-CG 4.48Å |
| 361 | I | 96.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.9 | 173.8 | -71.2 | -173.1 | 0 | 0 | 0 | 109.8 | V321 I345 H349 I350 F380 L381 W390 | V321-I361 HydrophobicContact CB-CD1 3.94Å; V321-I361 HydrophobicContact CG1-CD1 3.39Å; V321-I361 HydrophobicContact CG2-CD1 4.31Å; I345-I361 HydrophobicContact CG2-CD1 4.27Å; H349-I361 HydrophobicContact CB-CG2 3.72Å; I350-I361 WeakPolarHBondContact O-CA 3.47Å; I361-F380 WeakPolarHBondContact O-CA 3.5Å; I361-F380 WeakPolarHBondContact O-CD2 3.48Å; I361-L381 HydrophobicContact CB-CB 4.44Å; I361-L381 PolarHBondContact N-O 2.87Å; I361-L381 PolarHBondContact O-N 2.88Å; I361-W390 HydrophobicContact CB-CZ3 4.11Å; I361-W390 HydrophobicContact CD1-CE3 4.4Å; I361-W390 HydrophobicContact CD1-CH2 3.28Å; I361-W390 HydrophobicContact CD1-CZ2 3.81Å; I361-W390 HydrophobicContact CD1-CZ3 3.63Å; I361-W390 HydrophobicContact CG1-CH2 3.69Å; I361-W390 HydrophobicContact CG1-CZ3 3.62Å |
| 362 | V | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.5 | 170.5 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | H349 I350 Y379 F380 L396 F403 L405 V414 | H349-V362 WeakPolarHBondContact CA-O 3.26Å; I350-V362 PolarHBondContact N-O 3.12Å; I350-V362 PolarHBondContact O-N 3.41Å; V362-Y379 WeakPolarHBondContact CA-O 3.48Å; V362-F380 HydrophobicContact CG2-CD2 3.44Å; V362-F380 VanDerWaalsContact CG2-CD2 3.44Å; V362-F380 HydrophobicContact CG2-CE2 3.87Å; V362-F380 HydrophobicContact CG2-CG 4.32Å; V362-L396 HydrophobicContact CG1-CB 4.23Å; V362-L396 HydrophobicContact CG1-CD2 3.84Å; V362-F403 HydrophobicContact CB-CE2 3.91Å; V362-F403 HydrophobicContact CB-CZ 3.9Å; V362-F403 HydrophobicContact CG1-CE2 3.8Å; V362-F403 HydrophobicContact CG1-CZ 3.54Å; V362-L405 HydrophobicContact CB-CD1 4.29Å; V362-L405 HydrophobicContact CB-CD2 4.22Å; V362-L405 HydrophobicContact CG2-CD1 4.12Å; V362-L405 HydrophobicContact CG2-CD2 3.82Å; V362-V414 HydrophobicContact CG1-CG2 4.33Å; V362-V414 HydrophobicContact CG2-CG2 4.26Å |
| 363 | G | 94.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | -178.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | P346 N348 Y379 | P346-G363 VanDerWaalsContact CG-C 3.47Å; N348-G363 WeakPolarHBondContact O-CA 3.31Å; G363-Y379 PolarHBondContact N-O 2.92Å; G363-Y379 VanDerWaalsContact N-O 3.12Å; G363-Y379 WeakPolarHBondContact O-CB 3.37Å; G363-Y379 PolarHBondContact O-N 2.84Å |
| 364 | G | 90.9 | Very high | 86.3 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.1 | -168.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N348 S378 | N348-G364 PolarHBondContact O-N 2.77Å; G364-S378 WeakPolarHBondContact O-CB 3.4Å; G364-S378 PolarHBondContact O-OG 2.83Å |
| 365 | L | 87.3 | Confident | 85.5 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 151 | 163.6 | -57.9 | 96.2 | 0 | 0 | 0 | 109 | M376 S377 Y379 P399 L420 | L365-M376 HydrophobicContact CD2-SD 4.46Å; L365-S377 CarbonylContact C-O 3.57Å; L365-S377 WeakPolarHBondContact CA-O 3.38Å; L365-Y379 WeakPolarHBondContact O-CE2 3.42Å; L365-P399 HydrophobicContact CD2-CB 4.08Å; L365-L420 HydrophobicContact CD1-CD1 3.76Å; L365-L420 HydrophobicContact CD2-CB 3.82Å; L365-L420 HydrophobicContact CD2-CD1 4.13Å; L365-L420 HydrophobicContact CG-CB 4.42Å; L365-L420 HydrophobicContact CG-CD1 3.79Å |
| 366 | Y | 83 | Confident | 85.2 | Confident | 53 Ų | 53 | 69 Ų | 69 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 161.4 | 162.4 | 85.6 | -78.3 | 0 | 0 | 0 | 110.5 | N368 S377 Y379 P395 | Y366-N368 HydrophobicContact CE2-CB 3.89Å; Y366-N368 PolarHBondContact OH-ND2 2.88Å; Y366-S377 VanDerWaalsContact CE1-CB 3.42Å; Y366-S377 PolarHBondContact N-O 3.4Å; Y366-S377 PolarHBondContact O-N 2.76Å; Y366-Y379 VanDerWaalsContact CB-CZ 3.46Å; Y366-Y379 WeakPolarHBondContact CB-OH 3.39Å; Y366-Y379 HydrophobicContact CD1-CD1 4.22Å; Y366-Y379 HydrophobicContact CD1-CE1 4.29Å; Y366-Y379 HydrophobicContact CD1-CG 4.4Å; Y366-Y379 HydrophobicContact CG-CD1 4.49Å; Y366-Y379 HydrophobicContact CG-CE1 4.1Å; Y366-P395 HydrophobicContact CE1-CB 3.56Å; Y366-P395 WeakPolarHBondContact OH-CB 3.27Å; Y366-P395 WeakPolarHBondContact OH-CG 3.41Å |
| 367 | Y | 82.7 | Confident | 85 | Confident | 141 Ų | 141 | 64.2 Ų | 64.2 | 55% | 0.553 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.9 | 178 | -171.7 | -87.2 | 0 | 0 | 0 | 110.1 | E369 P375 M376 | Y367-E369 HydrophobicContact CD1-CG 3.95Å; Y367-E369 HydrophobicContact CE1-CG 4.01Å; Y367-P375 CarbonylContact C-O 3.55Å; Y367-P375 WeakPolarHBondContact CA-O 3.47Å; Y367-P375 HydrophobicContact CD2-CB 3.99Å; Y367-P375 HydrophobicContact CD2-CG 4.48Å; Y367-P375 HydrophobicContact CE1-CB 4.41Å; Y367-P375 HydrophobicContact CE2-CB 3.51Å; Y367-P375 HydrophobicContact CE2-CG 3.86Å; Y367-M376 HydrophobicContact CD2-CE 4.23Å |
| 368 | N | 78 | Confident | 84.9 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | trans | -94.9 | 103.4 | 178.3 | -174.7 | -4.1 | 0 | 0 | 0 | 110 | Y366 D370 S371 P375 | Y366-N368 HydrophobicContact CE2-CB 3.89Å; Y366-N368 PolarHBondContact OH-ND2 2.88Å; N368-D370 PolarHBondContact O-N 2.86Å; N368-D370 PolarHBondContact OD1-N 3.32Å; N368-S371 PolarHBondContact O-N 2.85Å; N368-P375 PolarHBondContact N-O 3.37Å | ||
| 369 | E | 77.3 | Confident | 84.9 | Confident | 165 Ų | 165 | 64.9 Ų | 64.9 | 77% | 0.771 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.8 | -177.7 | -58.4 | -167.2 | 159.7 | 0 | 0 | 113.6 | Y367 | Y367-E369 HydrophobicContact CD1-CG 3.95Å; Y367-E369 HydrophobicContact CE1-CG 4.01Å |
| 370 | D | 74.8 | Confident | 84.8 | Confident | 154 Ų | 154 | 65 Ų | 65 | 82% | 0.824 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -22.3 | -179.8 | -65 | -42.3 | 0 | 0 | 0 | 112.9 | N368 | N368-D370 PolarHBondContact O-N 2.86Å; N368-D370 PolarHBondContact OD1-N 3.32Å |
| 371 | S | 73.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | trans | -99 | 97 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | N368 D374 P375 | N368-S371 PolarHBondContact O-N 2.85Å; S371-D374 VanDerWaalsContact CB-O 3.26Å; S371-D374 WeakPolarHBondContact CB-O 3.33Å; S371-D374 VanDerWaalsContact OG-C 3.29Å; S371-D374 PolarHBondContact OG-O 2.84Å; S371-P375 VanDerWaalsContact O-CA 3.3Å; S371-P375 WeakPolarHBondContact O-CA 3.35Å; S371-P375 WeakPolarHBondContact O-CB 3.18Å | ||
| 372 | K | 68.8 | Low | 84.7 | Confident | 202 Ų | 202 | 67.1 Ų | 67.1 | 88% | 0.878 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -76.4 | -24 | -176.7 | -67 | -176.1 | -179.7 | 177 | 0 | 115.1 | ||
| 373 | E | 70.9 | Confident | 84.6 | Confident | 191 Ų | 191 | 67.3 Ų | 67.3 | 89% | 0.893 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -89.9 | -41 | -179.3 | -64.3 | -171.7 | 165.9 | 0 | 0 | 111.5 | ||
| 374 | D | 72.6 | Confident | 84.5 | Confident | 85 Ų | 85 | 69 Ų | 69 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -133.6 | 86.3 | 177.9 | -102.9 | -19.9 | 0 | 0 | 0 | 110.4 | S371 M376 K421 | S371-D374 VanDerWaalsContact CB-O 3.26Å; S371-D374 WeakPolarHBondContact CB-O 3.33Å; S371-D374 VanDerWaalsContact OG-C 3.29Å; S371-D374 PolarHBondContact OG-O 2.84Å; D374-M376 VanDerWaalsContact C-N 3.3Å; D374-M376 PolarHBondContact O-N 2.95Å; D374-K421 IonicContact OD1-NZ 3.3Å; D374-K421 PolarHBondContact OD1-NZ 2.91Å; D374-K421 IonicContact OD2-NZ 3.1Å; D374-K421 PolarHBondContact OD2-NZ 2.98Å | ||
| 375 | P | 79.9 | Confident | 84.5 | Confident | 33 Ų | 33 | 70.9 Ų | 70.9 | 21% | 0.214 | 34% | 0.338 | C | S | . | . | trans | -80.1 | -6.6 | -172.1 | 31.7 | -37 | 0 | 0 | 0 | 113.9 | Y367 N368 S371 | Y367-P375 CarbonylContact C-O 3.55Å; Y367-P375 WeakPolarHBondContact CA-O 3.47Å; Y367-P375 HydrophobicContact CD2-CB 3.99Å; Y367-P375 HydrophobicContact CD2-CG 4.48Å; Y367-P375 HydrophobicContact CE1-CB 4.41Å; Y367-P375 HydrophobicContact CE2-CB 3.51Å; Y367-P375 HydrophobicContact CE2-CG 3.86Å; N368-P375 PolarHBondContact N-O 3.37Å; S371-P375 VanDerWaalsContact O-CA 3.3Å; S371-P375 WeakPolarHBondContact O-CA 3.35Å; S371-P375 WeakPolarHBondContact O-CB 3.18Å | ||
| 376 | M | 85.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 68.7 Ų | 68.7 | 39% | 0.389 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.5 | 179 | -69.7 | -66.2 | -179.5 | 0 | 0 | 110.2 | L365 Y367 D374 P399 | L365-M376 HydrophobicContact CD2-SD 4.46Å; Y367-M376 HydrophobicContact CD2-CE 4.23Å; D374-M376 VanDerWaalsContact C-N 3.3Å; D374-M376 PolarHBondContact O-N 2.95Å; M376-P399 HydrophobicContact CB-CB 3.81Å; M376-P399 HydrophobicContact CB-CG 3.83Å; M376-P399 VanDerWaalsContact O-CD 3.28Å; M376-P399 WeakPolarHBondContact O-CD 3.35Å; M376-P399 WeakPolarHBondContact O-CG 3.32Å |
| 377 | S | 88.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 164.8 | 178 | -68.4 | 0 | 0 | 0 | 0 | 110 | L365 Y366 L396 | L365-S377 CarbonylContact C-O 3.57Å; L365-S377 WeakPolarHBondContact CA-O 3.38Å; Y366-S377 VanDerWaalsContact CE1-CB 3.42Å; Y366-S377 PolarHBondContact N-O 3.4Å; Y366-S377 PolarHBondContact O-N 2.76Å; S377-L396 WeakPolarHBondContact CB-O 3.44Å |
| 378 | S | 92.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 148.7 | 172.7 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | G364 L396 | G364-S378 WeakPolarHBondContact O-CB 3.4Å; G364-S378 PolarHBondContact O-OG 2.83Å; S378-L396 PolarHBondContact N-O 2.85Å; S378-L396 PolarHBondContact O-N 2.94Å |
| 379 | Y | 93.9 | Very high | 85.4 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 142.2 | 176.4 | -66.3 | -82 | 0 | 0 | 0 | 110 | P346 V362 G363 L365 Y366 | P346-Y379 HydrophobicContact CB-CD2 4.19Å; P346-Y379 HydrophobicContact CG-CD2 4.02Å; V362-Y379 WeakPolarHBondContact CA-O 3.48Å; G363-Y379 PolarHBondContact N-O 2.92Å; G363-Y379 VanDerWaalsContact N-O 3.12Å; G363-Y379 WeakPolarHBondContact O-CB 3.37Å; G363-Y379 PolarHBondContact O-N 2.84Å; L365-Y379 WeakPolarHBondContact O-CE2 3.42Å; Y366-Y379 VanDerWaalsContact CB-CZ 3.46Å; Y366-Y379 WeakPolarHBondContact CB-OH 3.39Å; Y366-Y379 HydrophobicContact CD1-CD1 4.22Å; Y366-Y379 HydrophobicContact CD1-CE1 4.29Å; Y366-Y379 HydrophobicContact CD1-CG 4.4Å; Y366-Y379 HydrophobicContact CG-CD1 4.49Å; Y366-Y379 HydrophobicContact CG-CE1 4.1Å |
| 380 | F | 96 | Very high | 86.2 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.4 | 165.8 | -177.1 | -145.7 | 0 | 0 | 0 | 107.7 | F360 I361 V362 M393 P394 Y433 W440 | F360-F380 HydrophobicContact CB-CE2 4.02Å; F360-F380 HydrophobicContact CD1-CD2 4.48Å; F360-F380 AromaticContact CD1-CE2 3.49Å; F360-F380 HydrophobicContact CD1-CE2 3.49Å; F360-F380 VanDerWaalsContact CD1-CE2 3.49Å; F360-F380 AromaticContact CD1-CZ 3.52Å; F360-F380 HydrophobicContact CD1-CZ 3.52Å; F360-F380 HydrophobicContact CE1-CE2 4.31Å; F360-F380 AromaticContact CE1-CZ 3.88Å; F360-F380 HydrophobicContact CE1-CZ 3.88Å; F360-F380 HydrophobicContact CG-CE2 4.06Å; F360-F380 HydrophobicContact CG-CZ 4.31Å; I361-F380 WeakPolarHBondContact O-CA 3.5Å; I361-F380 WeakPolarHBondContact O-CD2 3.48Å; V362-F380 HydrophobicContact CG2-CD2 3.44Å; V362-F380 VanDerWaalsContact CG2-CD2 3.44Å; V362-F380 HydrophobicContact CG2-CE2 3.87Å; V362-F380 HydrophobicContact CG2-CG 4.32Å; F380-M393 HydrophobicContact CB-CB 4.19Å; F380-M393 HydrophobicContact CD1-CB 3.33Å; F380-M393 HydrophobicContact CD1-CG 4.22Å; F380-M393 HydrophobicContact CE1-CB 3.84Å; F380-M393 HydrophobicContact CE1-CG 4.37Å; F380-M393 HydrophobicContact CG-CB 3.81Å; F380-M393 WeakPolarHBondContact O-CB 3.42Å; F380-M393 PolarHBondContact O-N 2.86Å; F380-P394 WeakPolarHBondContact CD1-O 3.22Å; F380-Y433 HydrophobicContact CD1-CD2 4.36Å; F380-Y433 HydrophobicContact CD1-CE2 4.42Å; F380-Y433 AromaticContact CE1-CD1 3.54Å; F380-Y433 HydrophobicContact CE1-CD1 3.54Å; F380-Y433 AromaticContact CE1-CD2 3.78Å; F380-Y433 HydrophobicContact CE1-CD2 3.78Å; F380-Y433 AromaticContact CE1-CE1 3.68Å; F380-Y433 HydrophobicContact CE1-CE1 3.68Å; F380-Y433 AromaticContact CE1-CE2 3.92Å; F380-Y433 HydrophobicContact CE1-CE2 3.92Å; F380-Y433 AromaticContact CE1-CG 3.57Å; F380-Y433 HydrophobicContact CE1-CG 3.57Å; F380-Y433 AromaticContact CE1-CZ 3.86Å; F380-Y433 AromaticContact CZ-CD1 3.87Å; F380-Y433 HydrophobicContact CZ-CD1 3.87Å; F380-Y433 HydrophobicContact CZ-CE1 4.24Å; F380-Y433 HydrophobicContact CZ-CG 4.12Å; F380-W440 HydrophobicContact CB-CZ2 4.39Å; F380-W440 AromaticContact CD1-CZ2 3.62Å; F380-W440 HydrophobicContact CD1-CZ2 3.62Å; F380-W440 HydrophobicContact CD2-CZ2 4.38Å; F380-W440 AromaticContact CE1-CZ2 3.86Å; F380-W440 HydrophobicContact CE1-CZ2 3.86Å; F380-W440 AromaticContact CG-CZ2 3.9Å; F380-W440 HydrophobicContact CG-CZ2 3.9Å; F380-W440 HydrophobicContact CZ-CZ2 4.3Å |
| 381 | L | 96.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 147.1 | -174.8 | -56.1 | 176.1 | 0 | 0 | 0 | 109.9 | F360 I361 W390 L391 | F360-L381 CarbonylContact C-O 3.49Å; F360-L381 WeakPolarHBondContact CA-O 3.44Å; I361-L381 HydrophobicContact CB-CB 4.44Å; I361-L381 PolarHBondContact N-O 2.87Å; I361-L381 PolarHBondContact O-N 2.88Å; L381-W390 HydrophobicContact CB-CB 4.39Å; L381-W390 HydrophobicContact CB-CE3 3.8Å; L381-W390 HydrophobicContact CD1-CB 4.35Å; L381-L391 WeakPolarHBondContact CA-O 3.34Å |
| 382 | Q | 96.6 | Very high | 88 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.4 | 171 | -175.6 | 179.9 | -20.1 | 0 | 0 | 109.6 | I359 F360 L391 M393 | I359-Q382 WeakPolarHBondContact O-CA 3.39Å; F360-Q382 HydrophobicContact CD1-CB 3.87Å; F360-Q382 HydrophobicContact CD1-CG 4Å; F360-Q382 HydrophobicContact CE1-CB 3.71Å; F360-Q382 HydrophobicContact CE1-CG 3.6Å; F360-Q382 VanDerWaalsContact CE1-OE1 3.3Å; F360-Q382 HydrophobicContact CZ-CG 3.98Å; Q382-L391 PolarHBondContact N-O 2.97Å; Q382-L391 PolarHBondContact O-N 3.24Å; Q382-M393 HydrophobicContact CB-CG 3.71Å; Q382-M393 HydrophobicContact CB-SD 3.78Å |
| 383 | Y | 95.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130 | 175.4 | -175.2 | -109.9 | 0 | 0 | 0 | 111.1 | F319 A339 I359 H385 W390 L611 | F319-Y383 HydrophobicContact CZ-CD2 4.26Å; F319-Y383 HydrophobicContact CZ-CE1 4.44Å; F319-Y383 HydrophobicContact CZ-CE2 4.13Å; F319-Y383 HydrophobicContact CZ-CG 4.47Å; A339-Y383 PolarHBondContact O-OH 2.81Å; I359-Y383 HydrophobicContact CD1-CD1 3.96Å; I359-Y383 HydrophobicContact CD1-CG 4.44Å; I359-Y383 PolarHBondContact O-N 3.17Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 AromaticContact CE1-ND1 3.87Å; Y383-W390 HydrophobicContact CD2-CD2 4.31Å; Y383-W390 AromaticContact CD2-CE2 3.85Å; Y383-W390 HydrophobicContact CD2-CH2 4.42Å; Y383-W390 AromaticContact CD2-CZ2 3.93Å; Y383-W390 HydrophobicContact CD2-CZ2 3.93Å; Y383-W390 HydrophobicContact CG-CZ2 4.45Å; Y383-L611 HydrophobicContact CE1-CD2 4.02Å |
| 384 | D | 92.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.4 | 167.7 | -163.1 | -28.1 | 0 | 0 | 0 | 110.4 | L386 S388 D389 L391 | D384-L386 PolarHBondContact O-N 2.91Å; D384-L386 WeakPolarHBondContact OD1-CB 3.34Å; D384-L386 PolarHBondContact OD1-N 2.98Å; D384-S388 WeakPolarHBondContact O-CA 3.42Å; D384-S388 PolarHBondContact O-N 2.8Å; D384-D389 PolarHBondContact N-O 2.88Å; D384-L391 HydrophobicContact CB-CD1 4.04Å; D384-L391 HydrophobicContact CB-CG 4.08Å |
| 385 | H | 89.1 | Confident | 91.3 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.9 | 177.3 | -69.5 | -86.9 | 0 | 0 | 0 | 114.3 | N357 Y383 L611 R615 | N357-H385 PolarHBondContact ND2-CE1 2.01Å; N357-H385 VanDerWaalsContact ND2-CE1 3.32Å; N357-H385 PolarHBondContact O-CE1 3.24Å; N357-H385 PolarHBondContact O-NE2 3.2Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 AromaticContact CE1-ND1 3.87Å; H385-L611 VanDerWaalsContact ND1-CD2 3.28Å; H385-L611 WeakPolarHBondContact ND1-CD2 3.26Å; H385-R615 WeakPolarHBondContact O-CD 3.49Å |
| 386 | L | 84.8 | Confident | 92 | Very high | 32 Ų | 32 | 40.7 Ų | 40.7 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -50.4 | -177.7 | -63.6 | 175.4 | 0 | 0 | 0 | 111.6 | D160 D384 R615 | D160-L386 HydrophobicContact CB-CD2 4.09Å; D384-L386 PolarHBondContact O-N 2.91Å; D384-L386 WeakPolarHBondContact OD1-CB 3.34Å; D384-L386 PolarHBondContact OD1-N 2.98Å; L386-R615 PolarHBondContact O-NH1 2.61Å |
| 387 | D | 85.4 | Confident | 92.3 | Very high | 135 Ų | 135 | 40.5 Ų | 40.5 | 72% | 0.722 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -8 | -176.6 | -68.8 | -14.8 | 0 | 0 | 0 | 113.1 | D389 | D387-D389 VanDerWaalsContact C-N 3.32Å; D387-D389 PolarHBondContact O-N 3.24Å |
| 388 | S | 89.9 | Confident | 92.5 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 35 | 177.2 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | A339 S340 D384 | A339-S388 WeakPolarHBondContact O-CB 3.29Å; S340-S388 VanDerWaalsContact CB-O 3.24Å; S340-S388 WeakPolarHBondContact CB-O 3.24Å; S340-S388 PolarHBondContact OG-O 2.75Å; D384-S388 WeakPolarHBondContact O-CA 3.42Å; D384-S388 PolarHBondContact O-N 2.8Å |
| 389 | D | 90.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 176.2 | -177.5 | -159.5 | -0.9 | 0 | 0 | 0 | 111.2 | S342 D384 D387 | S342-D389 WeakPolarHBondContact CB-OD1 3.46Å; S342-D389 PolarHBondContact OG-OD1 3.36Å; D384-D389 PolarHBondContact N-O 2.88Å; D387-D389 VanDerWaalsContact C-N 3.32Å; D387-D389 PolarHBondContact O-N 3.24Å |
| 390 | W | 93.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.1 | -176.8 | -65.5 | 85 | 0 | 0 | 0 | 111.8 | F319 V321 I345 I359 I361 L381 Y383 | F319-W390 HydrophobicContact CE1-CH2 4.22Å; F319-W390 HydrophobicContact CE1-CZ2 4.06Å; F319-W390 HydrophobicContact CZ-CZ2 4.45Å; V321-W390 HydrophobicContact CG1-CH2 4.3Å; V321-W390 HydrophobicContact CG1-CZ2 3.73Å; V321-W390 HydrophobicContact CG2-CH2 4.45Å; V321-W390 HydrophobicContact CG2-CZ2 4.24Å; I345-W390 HydrophobicContact CD1-CZ2 4.25Å; I345-W390 HydrophobicContact CG1-CD2 4.37Å; I345-W390 HydrophobicContact CG1-CG 4.43Å; I359-W390 HydrophobicContact CG2-CH2 3.89Å; I359-W390 HydrophobicContact CG2-CZ3 4.34Å; I361-W390 HydrophobicContact CB-CZ3 4.11Å; I361-W390 HydrophobicContact CD1-CE3 4.4Å; I361-W390 HydrophobicContact CD1-CH2 3.28Å; I361-W390 HydrophobicContact CD1-CZ2 3.81Å; I361-W390 HydrophobicContact CD1-CZ3 3.63Å; I361-W390 HydrophobicContact CG1-CH2 3.69Å; I361-W390 HydrophobicContact CG1-CZ3 3.62Å; L381-W390 HydrophobicContact CB-CB 4.39Å; L381-W390 HydrophobicContact CB-CE3 3.8Å; L381-W390 HydrophobicContact CD1-CB 4.35Å; Y383-W390 HydrophobicContact CD2-CD2 4.31Å; Y383-W390 AromaticContact CD2-CE2 3.85Å; Y383-W390 HydrophobicContact CD2-CH2 4.42Å; Y383-W390 AromaticContact CD2-CZ2 3.93Å; Y383-W390 HydrophobicContact CD2-CZ2 3.93Å; Y383-W390 HydrophobicContact CG-CZ2 4.45Å |
| 391 | L | 93.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 39 Ų | 39 | 42% | 0.419 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.9 | 173.1 | -58.2 | 177 | 0 | 0 | 0 | 109.9 | L381 Q382 D384 M393 | L381-L391 WeakPolarHBondContact CA-O 3.34Å; Q382-L391 PolarHBondContact N-O 2.97Å; Q382-L391 PolarHBondContact O-N 3.24Å; D384-L391 HydrophobicContact CB-CD1 4.04Å; D384-L391 HydrophobicContact CB-CG 4.08Å; L391-M393 PolarHBondContact O-N 2.76Å |
| 392 | G | 93.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 117.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 393 | M | 94.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 165.6 | 177.2 | -57.9 | -56.8 | -72.6 | 0 | 0 | 110.3 | F380 Q382 L391 Y433 | F380-M393 HydrophobicContact CB-CB 4.19Å; F380-M393 HydrophobicContact CD1-CB 3.33Å; F380-M393 HydrophobicContact CD1-CG 4.22Å; F380-M393 HydrophobicContact CE1-CB 3.84Å; F380-M393 HydrophobicContact CE1-CG 4.37Å; F380-M393 HydrophobicContact CG-CB 3.81Å; F380-M393 WeakPolarHBondContact O-CB 3.42Å; F380-M393 PolarHBondContact O-N 2.86Å; Q382-M393 HydrophobicContact CB-CG 3.71Å; Q382-M393 HydrophobicContact CB-SD 3.78Å; L391-M393 PolarHBondContact O-N 2.76Å; M393-Y433 HydrophobicContact CE-CE1 4.38Å; M393-Y433 WeakPolarHBondContact CE-OH 3.27Å |
| 394 | P | 93.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 31% | 0.312 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -51.8 | 124.9 | 173.6 | -28.3 | 37 | 0 | 0 | 0 | 110.6 | F380 Y433 F438 W440 | F380-P394 WeakPolarHBondContact CD1-O 3.22Å; P394-Y433 HydrophobicContact CB-CE2 4.1Å; P394-Y433 WeakPolarHBondContact CD-OH 3.45Å; P394-Y433 HydrophobicContact CG-CE2 3.99Å; P394-F438 WeakPolarHBondContact CG-O 3.35Å; P394-W440 PolarHBondContact O-NE1 2.71Å |
| 395 | P | 93.4 | Very high | 93 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -64 | 151 | -167.8 | 29.3 | -40.2 | 0 | 0 | 0 | 112.2 | Y366 P397 W440 | Y366-P395 HydrophobicContact CE1-CB 3.56Å; Y366-P395 WeakPolarHBondContact OH-CB 3.27Å; Y366-P395 WeakPolarHBondContact OH-CG 3.41Å; P395-P397 VanDerWaalsContact O-CD 3.23Å; P395-P397 WeakPolarHBondContact O-CD 3.24Å; P395-W440 PolarHBondContact O-NE1 2.9Å; P395-W440 VanDerWaalsContact O-NE1 3.09Å |
| 396 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 117.3 | 171.5 | -179.6 | 73.1 | 0 | 0 | 0 | 108.7 | V362 S377 S378 S398 R400 V414 L431 W440 | V362-L396 HydrophobicContact CG1-CB 4.23Å; V362-L396 HydrophobicContact CG1-CD2 3.84Å; S377-L396 WeakPolarHBondContact CB-O 3.44Å; S378-L396 PolarHBondContact N-O 2.85Å; S378-L396 PolarHBondContact O-N 2.94Å; L396-S398 WeakPolarHBondContact CD2-O 3.43Å; L396-S398 PolarHBondContact O-N 2.83Å; L396-R400 HydrophobicContact CD2-CG 3.89Å; L396-V414 HydrophobicContact CD1-CB 4.07Å; L396-V414 HydrophobicContact CD1-CG1 4.06Å; L396-V414 HydrophobicContact CD1-CG2 3.91Å; L396-V414 HydrophobicContact CD2-CG1 3.95Å; L396-V414 HydrophobicContact CD2-CG2 4.47Å; L396-L431 HydrophobicContact CD1-CB 4.23Å; L396-L431 HydrophobicContact CD1-CD1 3.62Å; L396-L431 HydrophobicContact CG-CD1 4.27Å; L396-W440 HydrophobicContact CB-CZ2 4.28Å; L396-W440 HydrophobicContact CD1-CD2 4.11Å; L396-W440 HydrophobicContact CD1-CE3 3.85Å; L396-W440 HydrophobicContact CD1-CH2 3.53Å; L396-W440 HydrophobicContact CD1-CZ2 3.78Å; L396-W440 HydrophobicContact CD1-CZ3 3.56Å |
| 397 | P | 92.1 | Very high | 94 | Very high | 76 Ų | 76 | 36 Ų | 36 | 49% | 0.494 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -79.3 | 42.1 | -176.5 | 35.4 | -38 | 0 | 0 | 0 | 111.9 | P395 W440 | P395-P397 VanDerWaalsContact O-CD 3.23Å; P395-P397 WeakPolarHBondContact O-CD 3.24Å; P397-W440 HydrophobicContact CG-CB 3.96Å; P397-W440 HydrophobicContact CG-CG 4.22Å |
| 398 | S | 90.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 29.7 Ų | 29.7 | 12% | 0.119 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -159 | 114.8 | -180 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | L396 R400 | L396-S398 WeakPolarHBondContact CD2-O 3.43Å; L396-S398 PolarHBondContact O-N 2.83Å; S398-R400 PolarHBondContact O-N 2.9Å; S398-R400 VanDerWaalsContact O-N 3.1Å; S398-R400 PolarHBondContact OG-NE 3.02Å; S398-R400 PolarHBondContact OG-NH2 2.89Å |
| 399 | P | 91.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | trans | -79.4 | 97.1 | 179 | 31.9 | -31.4 | 0 | 0 | 0 | 108.5 | L365 M376 L420 K421 | L365-P399 HydrophobicContact CD2-CB 4.08Å; M376-P399 HydrophobicContact CB-CB 3.81Å; M376-P399 HydrophobicContact CB-CG 3.83Å; M376-P399 VanDerWaalsContact O-CD 3.28Å; M376-P399 WeakPolarHBondContact O-CD 3.35Å; M376-P399 WeakPolarHBondContact O-CG 3.32Å; P399-L420 HydrophobicContact CB-CB 4.43Å; P399-L420 PolarHBondContact O-N 3.43Å; P399-K421 HydrophobicContact CG-CD 4.43Å; P399-K421 HydrophobicContact CG-CG 4.19Å | ||
| 400 | R | 94.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.5 | -174.8 | 61.3 | 172.9 | 76.2 | -172.1 | 7.2 | 113 | L396 S398 F403 G416 K418 L420 L427 S429 | L396-R400 HydrophobicContact CD2-CG 3.89Å; S398-R400 PolarHBondContact O-N 2.9Å; S398-R400 VanDerWaalsContact O-N 3.1Å; S398-R400 PolarHBondContact OG-NE 3.02Å; S398-R400 PolarHBondContact OG-NH2 2.89Å; R400-F403 HydrophobicContact CB-CD1 4.36Å; R400-F403 HydrophobicContact CG-CD1 3.68Å; R400-F403 HydrophobicContact CG-CE1 4.11Å; R400-F403 HydrophobicContact CG-CG 4.29Å; R400-F403 VanDerWaalsContact O-CE1 3.27Å; R400-F403 WeakPolarHBondContact O-CE1 3.41Å; R400-G416 WeakPolarHBondContact CD-O 3.46Å; R400-G416 PolarHBondContact NH1-O 2.76Å; R400-K418 CarbonylContact C-O 3.55Å; R400-K418 WeakPolarHBondContact CA-O 3.37Å; R400-K418 VanDerWaalsContact CB-O 3.31Å; R400-K418 WeakPolarHBondContact CB-O 3.3Å; R400-L420 VanDerWaalsContact C-CD1 3.42Å; R400-L420 WeakPolarHBondContact O-CD1 3.37Å; R400-L427 HydrophobicContact CB-CD1 4.13Å; R400-S429 PolarHBondContact NH1-O 2.68Å; R400-S429 PolarHBondContact NH2-OG 2.65Å |
| 401 | C | 95.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 170 | 173.3 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | F403 G417 K418 L420 | C401-F403 PolarHBondContact O-N 3.34Å; C401-G417 CarbonylContact O-C 3.56Å; C401-G417 WeakPolarHBondContact O-CA 3.4Å; C401-K418 PolarHBondContact N-O 2.86Å; C401-K418 PolarHBondContact O-N 2.73Å; C401-L420 HydrophobicContact CB-CD1 4.01Å; C401-L420 HydrophobicContact CB-CD2 3.87Å; C401-L420 HydrophobicContact CB-CG 4.09Å |
| 402 | L | 96.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 53.4 | 29.9 | 176 | -54 | 177.5 | 0 | 0 | 0 | 113.3 | Y451 G452 L500 | L402-Y451 HydrophobicContact CB-CD2 4.33Å; L402-Y451 HydrophobicContact CD1-CD2 3.77Å; L402-Y451 HydrophobicContact CD1-CE2 4.27Å; L402-Y451 CarbonylContact O-C 3.55Å; L402-G452 PolarHBondContact O-N 2.95Å; L402-L500 HydrophobicContact CD2-CD2 4.11Å |
| 403 | F | 98.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 27 Ų | 27 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | trans | -89.7 | 164.7 | 170.5 | 59.1 | -89.5 | 0 | 0 | 0 | 109.6 | I350 V362 R400 C401 L405 V414 V415 G416 | I350-F403 HydrophobicContact CG2-CD2 3.89Å; I350-F403 HydrophobicContact CG2-CE2 3.19Å; I350-F403 HydrophobicContact CG2-CZ 3.56Å; V362-F403 HydrophobicContact CB-CE2 3.91Å; V362-F403 HydrophobicContact CB-CZ 3.9Å; V362-F403 HydrophobicContact CG1-CE2 3.8Å; V362-F403 HydrophobicContact CG1-CZ 3.54Å; R400-F403 HydrophobicContact CB-CD1 4.36Å; R400-F403 HydrophobicContact CG-CD1 3.68Å; R400-F403 HydrophobicContact CG-CE1 4.11Å; R400-F403 HydrophobicContact CG-CG 4.29Å; R400-F403 VanDerWaalsContact O-CE1 3.27Å; R400-F403 WeakPolarHBondContact O-CE1 3.41Å; C401-F403 PolarHBondContact O-N 3.34Å; F403-L405 HydrophobicContact CE2-CD2 4.12Å; F403-L405 HydrophobicContact CE2-CG 4.3Å; F403-V414 HydrophobicContact CB-CG1 4.43Å; F403-V414 HydrophobicContact CD2-CG1 3.71Å; F403-V414 HydrophobicContact CD2-CG2 4.44Å; F403-V414 HydrophobicContact CE2-CG1 4.17Å; F403-V414 HydrophobicContact CE2-CG2 4.3Å; F403-V414 HydrophobicContact CG-CG1 4.09Å; F403-V415 WeakPolarHBondContact CA-O 3.17Å; F403-V415 WeakPolarHBondContact CB-O 3.4Å; F403-G416 WeakPolarHBondContact CB-O 3.34Å | ||
| 404 | G | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 155.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | V415 H453 | G404-V415 PolarHBondContact N-O 3.18Å; G404-V415 VanDerWaalsContact N-O 3.11Å; G404-V415 PolarHBondContact O-N 3.25Å; G404-H453 PolarHBondContact N-NE2 3.49Å |
| 405 | L | 98.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 139.4 | 167.5 | -71.8 | -178.7 | 0 | 0 | 0 | 110.6 | I350 L352 V362 F403 I412 F413 V414 V455 | I350-L405 HydrophobicContact CB-CD1 4.42Å; I350-L405 HydrophobicContact CD1-CB 4.35Å; I350-L405 HydrophobicContact CD1-CG 4.42Å; I350-L405 HydrophobicContact CG1-CB 4.37Å; I350-L405 HydrophobicContact CG1-CD1 4.19Å; I350-L405 HydrophobicContact CG1-CG 4.16Å; I350-L405 HydrophobicContact CG2-CD1 3.84Å; I350-L405 HydrophobicContact CG2-CG 3.72Å; I350-L405 WeakPolarHBondContact O-CD1 3.35Å; L352-L405 HydrophobicContact CB-CB 4.01Å; L352-L405 HydrophobicContact CB-CD1 3.93Å; L352-L405 HydrophobicContact CD2-CB 4.25Å; V362-L405 HydrophobicContact CB-CD1 4.29Å; V362-L405 HydrophobicContact CB-CD2 4.22Å; V362-L405 HydrophobicContact CG2-CD1 4.12Å; V362-L405 HydrophobicContact CG2-CD2 3.82Å; F403-L405 HydrophobicContact CE2-CD2 4.12Å; F403-L405 HydrophobicContact CE2-CG 4.3Å; L405-I412 HydrophobicContact CD2-CG2 4.41Å; L405-F413 WeakPolarHBondContact CA-O 3.36Å; L405-V414 HydrophobicContact CD2-CB 4.49Å; L405-V414 HydrophobicContact CD2-CG2 3.44Å; L405-V414 VanDerWaalsContact CD2-CG2 3.44Å; L405-V455 WeakPolarHBondContact O-CB 3.41Å; L405-V455 WeakPolarHBondContact O-CG1 3.39Å |
| 406 | G | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 162.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F413 S457 | G406-F413 PolarHBondContact N-O 3.3Å; G406-F413 PolarHBondContact O-N 3.02Å; G406-S457 WeakPolarHBondContact CA-OG 3.28Å |
| 407 | E | 97.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 155.7 | 164.4 | 60 | 159.5 | -163.9 | 0 | 0 | 111.9 | L352 T354 K355 S411 I412 R435 S457 | L352-E407 HydrophobicContact CD2-CB 4.15Å; T354-E407 WeakPolarHBondContact CA-OE2 3.47Å; T354-E407 WeakPolarHBondContact CB-OE2 3.46Å; T354-E407 WeakPolarHBondContact CG2-OE2 3.47Å; K355-E407 VanDerWaalsContact CG-OE1 3.31Å; K355-E407 WeakPolarHBondContact CG-OE1 3.32Å; K355-E407 PolarHBondContact N-OE1 3.37Å; E407-S411 WeakPolarHBondContact CA-O 3.37Å; E407-I412 HydrophobicContact CB-CD1 4Å; E407-R435 IonicContact OE2-NH1 3.39Å; E407-S457 PolarHBondContact N-OG 2.78Å; E407-S457 WeakPolarHBondContact O-CB 2.99Å; E407-S457 PolarHBondContact O-OG 2.72Å |
| 408 | A | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 141.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | N410 S411 F413 D460 V462 P483 | A408-N410 PolarHBondContact O-N 2.91Å; A408-N410 VanDerWaalsContact O-N 3.15Å; A408-S411 PolarHBondContact N-O 2.88Å; A408-S411 VanDerWaalsContact N-O 3.08Å; A408-S411 PolarHBondContact O-N 3.15Å; A408-F413 HydrophobicContact CB-CE2 4.01Å; A408-D460 HydrophobicContact CB-CB 4.39Å; A408-V462 HydrophobicContact CB-CG2 4.09Å; A408-P483 HydrophobicContact CB-CG 3.81Å |
| 409 | E | 91.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 20.8 Ų | 20.8 | 43% | 0.43 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -116.6 | -177.4 | -47.8 | -174.8 | 144.2 | 0 | 0 | 111.6 | D460 P483 N484 | E409-D460 HydrophobicContact CG-CB 4.22Å; E409-D460 PolarHBondContact N-OD1 3.13Å; E409-P483 HydrophobicContact CG-CG 4.49Å; E409-N484 PolarHBondContact OE1-ND2 3.08Å; E409-N484 PolarHBondContact OE1-OD1 2.86Å |
| 410 | N | 92.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 23.4 Ų | 23.4 | 33% | 0.326 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 19.3 | 178.3 | -164 | 60.3 | 0 | 0 | 0 | 112.8 | A408 D434 R435 Q436 | A408-N410 PolarHBondContact O-N 2.91Å; A408-N410 VanDerWaalsContact O-N 3.15Å; N410-D434 PolarHBondContact ND2-OD1 3.27Å; N410-R435 VanDerWaalsContact O-CB 3.29Å; N410-R435 WeakPolarHBondContact O-CB 3.36Å; N410-R435 WeakPolarHBondContact O-CD 3.46Å; N410-R435 WeakPolarHBondContact O-CG 3.35Å; N410-R435 PolarHBondContact O-N 3.08Å; N410-Q436 WeakPolarHBondContact ND2-CB 3.2Å; N410-Q436 PolarHBondContact ND2-N 3.41Å; N410-Q436 VanDerWaalsContact ND2-N 3.13Å |
| 411 | S | 96.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 26.9 Ų | 26.9 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.9 | -176.6 | -63.2 | 0 | 0 | 0 | 0 | 113 | E407 A408 Y433 | E407-S411 WeakPolarHBondContact CA-O 3.37Å; A408-S411 PolarHBondContact N-O 2.88Å; A408-S411 VanDerWaalsContact N-O 3.08Å; A408-S411 PolarHBondContact O-N 3.15Å; S411-Y433 VanDerWaalsContact CA-O 3.29Å; S411-Y433 WeakPolarHBondContact CA-O 2.95Å |
| 412 | I | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.3 | 169 | -51.3 | -55.5 | 0 | 0 | 0 | 108.7 | L352 T354 F360 L405 E407 C432 Y433 R435 | L352-I412 HydrophobicContact CD2-CD1 4.03Å; L352-I412 HydrophobicContact CD2-CG2 3.95Å; T354-I412 HydrophobicContact CG2-CD1 4.03Å; F360-I412 HydrophobicContact CD2-CD1 3.99Å; F360-I412 HydrophobicContact CD2-CG1 4.24Å; F360-I412 HydrophobicContact CE2-CD1 4.04Å; F360-I412 HydrophobicContact CE2-CG1 4.26Å; L405-I412 HydrophobicContact CD2-CG2 4.41Å; E407-I412 HydrophobicContact CB-CD1 4Å; I412-C432 CarbonylContact O-C 3.54Å; I412-C432 WeakPolarHBondContact O-CA 3.41Å; I412-Y433 PolarHBondContact N-O 3.12Å; I412-Y433 PolarHBondContact O-N 3.49Å; I412-R435 HydrophobicContact CG1-CG 4.27Å |
| 413 | F | 98.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | -177.2 | -65.6 | -92.6 | 0 | 0 | 0 | 110.8 | L405 G406 A408 V415 V430 L431 C432 A443 V462 Y481 P483 | L405-F413 WeakPolarHBondContact CA-O 3.36Å; G406-F413 PolarHBondContact N-O 3.3Å; G406-F413 PolarHBondContact O-N 3.02Å; A408-F413 HydrophobicContact CB-CE2 4.01Å; F413-V415 HydrophobicContact CB-CG2 4.08Å; F413-V430 HydrophobicContact CD1-CG1 3.97Å; F413-L431 CarbonylContact C-O 3.49Å; F413-L431 WeakPolarHBondContact CA-O 3.21Å; F413-C432 HydrophobicContact CD1-CB 3.87Å; F413-C432 HydrophobicContact CE1-CB 3.73Å; F413-C432 HydrophobicContact CZ-CB 4.42Å; F413-A443 HydrophobicContact CD1-CB 4.35Å; F413-A443 HydrophobicContact CE1-CB 4.04Å; F413-V462 HydrophobicContact CD2-CG2 4Å; F413-V462 HydrophobicContact CE2-CG2 4.43Å; F413-V462 HydrophobicContact CG-CG2 4.45Å; F413-Y481 HydrophobicContact CE1-CD1 4.32Å; F413-Y481 AromaticContact CE1-CE1 3.78Å; F413-Y481 HydrophobicContact CE1-CE1 3.78Å; F413-Y481 HydrophobicContact CZ-CE1 4.09Å; F413-P483 HydrophobicContact CZ-CB 4.31Å |
| 414 | V | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.2 | 169.3 | 165.3 | 0 | 0 | 0 | 0 | 108 | V362 L396 F403 L405 V430 L431 W440 | V362-V414 HydrophobicContact CG1-CG2 4.33Å; V362-V414 HydrophobicContact CG2-CG2 4.26Å; L396-V414 HydrophobicContact CD1-CB 4.07Å; L396-V414 HydrophobicContact CD1-CG1 4.06Å; L396-V414 HydrophobicContact CD1-CG2 3.91Å; L396-V414 HydrophobicContact CD2-CG1 3.95Å; L396-V414 HydrophobicContact CD2-CG2 4.47Å; F403-V414 HydrophobicContact CB-CG1 4.43Å; F403-V414 HydrophobicContact CD2-CG1 3.71Å; F403-V414 HydrophobicContact CD2-CG2 4.44Å; F403-V414 HydrophobicContact CE2-CG1 4.17Å; F403-V414 HydrophobicContact CE2-CG2 4.3Å; F403-V414 HydrophobicContact CG-CG1 4.09Å; L405-V414 HydrophobicContact CD2-CB 4.49Å; L405-V414 HydrophobicContact CD2-CG2 3.44Å; L405-V414 VanDerWaalsContact CD2-CG2 3.44Å; V414-V430 WeakPolarHBondContact O-CA 3.38Å; V414-L431 HydrophobicContact CB-CB 4.32Å; V414-L431 PolarHBondContact N-O 3.15Å; V414-L431 PolarHBondContact O-N 2.94Å; V414-W440 HydrophobicContact CB-CZ3 4.29Å; V414-W440 HydrophobicContact CG2-CH2 3.68Å; V414-W440 HydrophobicContact CG2-CZ3 3.94Å |
| 415 | V | 98.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | -163.7 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | F403 G404 F413 V430 L446 H453 V455 V462 V464 W488 | F403-V415 WeakPolarHBondContact CA-O 3.17Å; F403-V415 WeakPolarHBondContact CB-O 3.4Å; G404-V415 PolarHBondContact N-O 3.18Å; G404-V415 VanDerWaalsContact N-O 3.11Å; G404-V415 PolarHBondContact O-N 3.25Å; F413-V415 HydrophobicContact CB-CG2 4.08Å; V415-V430 HydrophobicContact CG1-CG2 4.36Å; V415-V430 HydrophobicContact CG2-CG1 4.16Å; V415-L446 HydrophobicContact CG1-CD1 3.75Å; V415-L446 HydrophobicContact CG1-CD2 4.01Å; V415-L446 HydrophobicContact CG1-CG 4.14Å; V415-H453 PolarHBondContact O-CE1 2.99Å; V415-H453 PolarHBondContact O-NE2 2.96Å; V415-H453 VanDerWaalsContact O-NE2 3.17Å; V415-V455 HydrophobicContact CB-CG2 4.13Å; V415-V455 HydrophobicContact CG1-CG2 4.38Å; V415-V455 HydrophobicContact CG2-CG2 4.46Å; V415-V462 HydrophobicContact CG2-CG1 4.48Å; V415-V464 HydrophobicContact CG1-CG2 3.67Å; V415-W488 HydrophobicContact CG1-CH2 4.49Å |
| 416 | G | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | -138.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R400 F403 L427 S429 | R400-G416 WeakPolarHBondContact CD-O 3.46Å; R400-G416 PolarHBondContact NH1-O 2.76Å; F403-G416 WeakPolarHBondContact CB-O 3.34Å; G416-L427 WeakPolarHBondContact CA-O 3.29Å; G416-S429 PolarHBondContact N-O 3.17Å; G416-S429 VanDerWaalsContact N-O 3.15Å |
| 417 | G | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.9 | -157.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C401 L427 V450 | C401-G417 CarbonylContact O-C 3.56Å; C401-G417 WeakPolarHBondContact O-CA 3.4Å; G417-L427 PolarHBondContact O-N 2.97Å; G417-V450 PolarHBondContact N-O 2.73Å |
| 418 | K | 94.7 | Very high | 92.3 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.8 | 176.9 | -107.3 | -172.1 | 164.2 | -162.6 | 0 | 110.7 | R400 C401 E424 K425 Y451 | R400-K418 CarbonylContact C-O 3.55Å; R400-K418 WeakPolarHBondContact CA-O 3.37Å; R400-K418 VanDerWaalsContact CB-O 3.31Å; R400-K418 WeakPolarHBondContact CB-O 3.3Å; C401-K418 PolarHBondContact N-O 2.86Å; C401-K418 PolarHBondContact O-N 2.73Å; K418-E424 HydrophobicContact CD-CB 4.39Å; K418-E424 WeakPolarHBondContact CE-O 3.46Å; K418-E424 IonicContact NZ-OE2 2.73Å; K418-E424 PolarHBondContact NZ-OE2 3.32Å; K418-K425 WeakPolarHBondContact CA-O 3.38Å; K418-Y451 HydrophobicContact CD-CD1 4.4Å; K418-Y451 HydrophobicContact CD-CD2 4.17Å; K418-Y451 HydrophobicContact CD-CE2 4.38Å; K418-Y451 HydrophobicContact CD-CG 4.18Å; K418-Y451 HydrophobicContact CG-CD1 4.24Å; K418-Y451 HydrophobicContact CG-CD2 4.47Å; K418-Y451 HydrophobicContact CG-CG 4.02Å |
| 419 | E | 91.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.1 | 171.8 | -68.3 | 178.3 | 177.4 | 0 | 0 | 111.5 | K421 K425 L427 | E419-K421 PolarHBondContact O-N 3.35Å; E419-K425 HydrophobicContact CG-CB 4.3Å; E419-K425 PolarHBondContact N-O 3.38Å; E419-K425 WeakPolarHBondContact OE2-CB 3.29Å; E419-L427 HydrophobicContact CG-CD1 3.91Å; E419-L427 HydrophobicContact CG-CD2 3.77Å; E419-L427 HydrophobicContact CG-CG 3.99Å; E419-L427 WeakPolarHBondContact OE1-CD2 3.46Å |
| 420 | L | 85.6 | Confident | 92.6 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -94 | 47.6 | 172.3 | -64.3 | 162.5 | 0 | 0 | 0 | 110.4 | L365 P399 R400 C401 | L365-L420 HydrophobicContact CD1-CD1 3.76Å; L365-L420 HydrophobicContact CD2-CB 3.82Å; L365-L420 HydrophobicContact CD2-CD1 4.13Å; L365-L420 HydrophobicContact CG-CB 4.42Å; L365-L420 HydrophobicContact CG-CD1 3.79Å; P399-L420 HydrophobicContact CB-CB 4.43Å; P399-L420 PolarHBondContact O-N 3.43Å; R400-L420 VanDerWaalsContact C-CD1 3.42Å; R400-L420 WeakPolarHBondContact O-CD1 3.37Å; C401-L420 HydrophobicContact CB-CD1 4.01Å; C401-L420 HydrophobicContact CB-CD2 3.87Å; C401-L420 HydrophobicContact CB-CG 4.09Å |
| 421 | K | 80.9 | Confident | 92.9 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -130.8 | 171.4 | 177.1 | -63.4 | -173.8 | -171.3 | 175.6 | 0 | 109.7 | D374 P399 E419 G423 E424 | D374-K421 IonicContact OD1-NZ 3.3Å; D374-K421 PolarHBondContact OD1-NZ 2.91Å; D374-K421 IonicContact OD2-NZ 3.1Å; D374-K421 PolarHBondContact OD2-NZ 2.98Å; P399-K421 HydrophobicContact CG-CD 4.43Å; P399-K421 HydrophobicContact CG-CG 4.19Å; E419-K421 PolarHBondContact O-N 3.35Å; K421-G423 PolarHBondContact O-N 3.35Å; K421-E424 PolarHBondContact O-N 2.97Å |
| 422 | E | 73.3 | Confident | 93 | Very high | 202 Ų | 202 | 42.7 Ų | 42.7 | 94% | 0.944 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 127.1 | 174.9 | -67.1 | -169.7 | 158.7 | 0 | 0 | 111.5 | ||
| 423 | G | 74.1 | Confident | 93 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 78% | 0.784 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.3 | -13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K421 K425 | K421-G423 PolarHBondContact O-N 3.35Å; G423-K425 VanDerWaalsContact C-N 3.28Å; G423-K425 PolarHBondContact O-N 3.01Å |
| 424 | E | 84.6 | Confident | 92.8 | Very high | 119 Ų | 119 | 44.6 Ų | 44.6 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | trans | 44.2 | 46.9 | 177.7 | -62.1 | -171.4 | 177.5 | 0 | 0 | 114.3 | K418 K421 T426 | K418-E424 HydrophobicContact CD-CB 4.39Å; K418-E424 WeakPolarHBondContact CE-O 3.46Å; K418-E424 IonicContact NZ-OE2 2.73Å; K418-E424 PolarHBondContact NZ-OE2 3.32Å; K421-E424 PolarHBondContact O-N 2.97Å; E424-T426 PolarHBondContact O-N 3.16Å | ||
| 425 | K | 92.9 | Very high | 92.6 | Very high | 118 Ų | 118 | 46 Ų | 46 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | trans | -59.1 | 133.4 | -175.2 | -172 | -172.8 | 168.6 | -162.5 | 0 | 110.5 | K418 E419 G423 | K418-K425 WeakPolarHBondContact CA-O 3.38Å; E419-K425 HydrophobicContact CG-CB 4.3Å; E419-K425 PolarHBondContact N-O 3.38Å; E419-K425 WeakPolarHBondContact OE2-CB 3.29Å; G423-K425 VanDerWaalsContact C-N 3.28Å; G423-K425 PolarHBondContact O-N 3.01Å | ||
| 426 | T | 96.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.104 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.9 | 170.6 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | E424 A449 Y451 | E424-T426 PolarHBondContact O-N 3.16Å; T426-A449 HydrophobicContact CG2-CB 3.93Å; T426-Y451 HydrophobicContact CG2-CD1 3.72Å |
| 427 | L | 97.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.8 | -170.8 | -65.1 | 176.4 | 0 | 0 | 0 | 112.6 | R400 G416 G417 E419 A449 V450 | R400-L427 HydrophobicContact CB-CD1 4.13Å; G416-L427 WeakPolarHBondContact CA-O 3.29Å; G417-L427 PolarHBondContact O-N 2.97Å; E419-L427 HydrophobicContact CG-CD1 3.91Å; E419-L427 HydrophobicContact CG-CD2 3.77Å; E419-L427 HydrophobicContact CG-CG 3.99Å; E419-L427 WeakPolarHBondContact OE1-CD2 3.46Å; L427-A449 WeakPolarHBondContact O-CA 3.42Å; L427-V450 PolarHBondContact O-N 2.9Å |
| 428 | D | 98.1 | Very high | 92 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -16.5 | 163.5 | 45.6 | 13.2 | 0 | 0 | 0 | 112.3 | L446 A449 | D428-L446 HydrophobicContact CB-CB 4.19Å; D428-L446 WeakPolarHBondContact O-CB 3.48Å; D428-L446 PolarHBondContact O-N 2.68Å; D428-A449 HydrophobicContact CB-CB 4.15Å |
| 429 | S | 98.1 | Very high | 92 | Very high | 26 Ų | 26 | 67.5 Ų | 67.5 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 139.1 | -175.4 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | R400 G416 | R400-S429 PolarHBondContact NH1-O 2.68Å; R400-S429 PolarHBondContact NH2-OG 2.65Å; G416-S429 PolarHBondContact N-O 3.17Å; G416-S429 VanDerWaalsContact N-O 3.15Å |
| 430 | V | 98.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.9 | 179 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | F413 V414 V415 A443 D444 L446 W488 | F413-V430 HydrophobicContact CD1-CG1 3.97Å; V414-V430 WeakPolarHBondContact O-CA 3.38Å; V415-V430 HydrophobicContact CG1-CG2 4.36Å; V415-V430 HydrophobicContact CG2-CG1 4.16Å; V430-A443 HydrophobicContact CB-CB 4.27Å; V430-A443 HydrophobicContact CG1-CB 3.99Å; V430-A443 PolarHBondContact O-N 2.84Å; V430-D444 WeakPolarHBondContact CG2-O 3.38Å; V430-L446 HydrophobicContact CG2-CG 4.07Å; V430-W488 HydrophobicContact CG2-CZ2 4Å |
| 431 | L | 98.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.3 | 174 | -67.7 | 169.8 | 0 | 0 | 0 | 108.9 | L396 F413 V414 W440 G441 E442 | L396-L431 HydrophobicContact CD1-CB 4.23Å; L396-L431 HydrophobicContact CD1-CD1 3.62Å; L396-L431 HydrophobicContact CG-CD1 4.27Å; F413-L431 CarbonylContact C-O 3.49Å; F413-L431 WeakPolarHBondContact CA-O 3.21Å; V414-L431 HydrophobicContact CB-CB 4.32Å; V414-L431 PolarHBondContact N-O 3.15Å; V414-L431 PolarHBondContact O-N 2.94Å; L431-W440 HydrophobicContact CB-CE3 3.93Å; L431-W440 HydrophobicContact CB-CZ3 4.05Å; L431-G441 WeakPolarHBondContact CA-O 3.47Å; L431-G441 WeakPolarHBondContact CD2-O 3.05Å; L431-E442 HydrophobicContact CD2-CG 3.95Å |
| 432 | C | 97.6 | Very high | 93.5 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.7 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | I412 F413 W440 G441 A443 | I412-C432 CarbonylContact O-C 3.54Å; I412-C432 WeakPolarHBondContact O-CA 3.41Å; F413-C432 HydrophobicContact CD1-CB 3.87Å; F413-C432 HydrophobicContact CE1-CB 3.73Å; F413-C432 HydrophobicContact CZ-CB 4.42Å; C432-W440 CarbonylContact O-C 3.58Å; C432-W440 VanDerWaalsContact O-CA 3.29Å; C432-W440 WeakPolarHBondContact O-CA 3.24Å; C432-G441 PolarHBondContact N-O 2.92Å; C432-G441 PolarHBondContact O-N 2.88Å; C432-A443 HydrophobicContact CB-CB 4.32Å |
| 433 | Y | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.7 | 171.2 | 179.5 | -98.8 | 0 | 0 | 0 | 109 | F380 M393 P394 S411 I412 R435 F438 K439 W440 | F380-Y433 HydrophobicContact CD1-CD2 4.36Å; F380-Y433 HydrophobicContact CD1-CE2 4.42Å; F380-Y433 AromaticContact CE1-CD1 3.54Å; F380-Y433 HydrophobicContact CE1-CD1 3.54Å; F380-Y433 AromaticContact CE1-CD2 3.78Å; F380-Y433 HydrophobicContact CE1-CD2 3.78Å; F380-Y433 AromaticContact CE1-CE1 3.68Å; F380-Y433 HydrophobicContact CE1-CE1 3.68Å; F380-Y433 AromaticContact CE1-CE2 3.92Å; F380-Y433 HydrophobicContact CE1-CE2 3.92Å; F380-Y433 AromaticContact CE1-CG 3.57Å; F380-Y433 HydrophobicContact CE1-CG 3.57Å; F380-Y433 AromaticContact CE1-CZ 3.86Å; F380-Y433 AromaticContact CZ-CD1 3.87Å; F380-Y433 HydrophobicContact CZ-CD1 3.87Å; F380-Y433 HydrophobicContact CZ-CE1 4.24Å; F380-Y433 HydrophobicContact CZ-CG 4.12Å; M393-Y433 HydrophobicContact CE-CE1 4.38Å; M393-Y433 WeakPolarHBondContact CE-OH 3.27Å; P394-Y433 HydrophobicContact CB-CE2 4.1Å; P394-Y433 WeakPolarHBondContact CD-OH 3.45Å; P394-Y433 HydrophobicContact CG-CE2 3.99Å; S411-Y433 VanDerWaalsContact CA-O 3.29Å; S411-Y433 WeakPolarHBondContact CA-O 2.95Å; I412-Y433 PolarHBondContact N-O 3.12Å; I412-Y433 PolarHBondContact O-N 3.49Å; Y433-R435 HydrophobicContact CD1-CG 4.13Å; Y433-R435 HydrophobicContact CE1-CG 4.2Å; Y433-R435 PolarHBondContact O-N 2.86Å; Y433-F438 WeakPolarHBondContact OH-CA 3.27Å; Y433-F438 WeakPolarHBondContact OH-CB 3.39Å; Y433-F438 WeakPolarHBondContact OH-CD1 3.36Å; Y433-K439 WeakPolarHBondContact CA-O 2.89Å; Y433-W440 AromaticContact CD2-CD1 3.88Å; Y433-W440 AromaticContact CD2-CD2 3.97Å; Y433-W440 HydrophobicContact CD2-CD2 3.97Å; Y433-W440 AromaticContact CD2-CE2 3.75Å; Y433-W440 HydrophobicContact CD2-CG 4.05Å; Y433-W440 HydrophobicContact CD2-CZ2 4.29Å; Y433-W440 AromaticContact CD2-NE1 3.67Å; Y433-W440 HydrophobicContact CG-CD2 4.41Å; Y433-W440 HydrophobicContact CG-CZ2 4.34Å |
| 434 | D | 96.2 | Very high | 95.7 | Very high | 45 Ų | 45 | 60.1 Ų | 60.1 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 115.3 | 173.1 | 167.9 | 29.1 | 0 | 0 | 0 | 110.1 | N410 Q436 S437 F438 K439 | N410-D434 PolarHBondContact ND2-OD1 3.27Å; D434-Q436 PolarHBondContact O-N 3.24Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.28Å; D434-Q436 PolarHBondContact OD1-N 3.41Å; D434-S437 WeakPolarHBondContact OD2-CB 3.41Å; D434-S437 PolarHBondContact OD2-N 2.91Å; D434-S437 PolarHBondContact OD2-OG 2.86Å; D434-F438 WeakPolarHBondContact O-CA 3.21Å; D434-F438 PolarHBondContact O-N 3.04Å; D434-K439 PolarHBondContact N-O 3.13Å; D434-K439 PolarHBondContact O-N 3.08Å |
| 435 | R | 94.3 | Very high | 96.3 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.109 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11 | 179 | -64.6 | 157.8 | 55.9 | -160.2 | -7.4 | 113 | E356 Q358 F360 E407 N410 I412 Y433 | E356-R435 IonicContact OE2-CZ 2.73Å; E356-R435 VanDerWaalsContact OE2-CZ 3.31Å; E356-R435 IonicContact OE2-NH1 2.65Å; E356-R435 PolarHBondContact OE2-NH1 3.12Å; E356-R435 IonicContact OE2-NH2 2.68Å; E356-R435 PolarHBondContact OE2-NH2 3.41Å; Q358-R435 VanDerWaalsContact CD-NH2 3.34Å; Q358-R435 VanDerWaalsContact OE1-NE 3.11Å; F360-R435 HydrophobicContact CZ-CG 4.48Å; E407-R435 IonicContact OE2-NH1 3.39Å; N410-R435 VanDerWaalsContact O-CB 3.29Å; N410-R435 WeakPolarHBondContact O-CB 3.36Å; N410-R435 WeakPolarHBondContact O-CD 3.46Å; N410-R435 WeakPolarHBondContact O-CG 3.35Å; N410-R435 PolarHBondContact O-N 3.08Å; I412-R435 HydrophobicContact CG1-CG 4.27Å; Y433-R435 HydrophobicContact CD1-CG 4.13Å; Y433-R435 HydrophobicContact CE1-CG 4.2Å; Y433-R435 PolarHBondContact O-N 2.86Å |
| 436 | Q | 91.8 | Very high | 96.5 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 75% | 0.748 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -47.7 | 177.8 | -174.2 | 174.1 | 12.5 | 0 | 0 | 112.8 | N410 D434 | N410-Q436 WeakPolarHBondContact ND2-CB 3.2Å; N410-Q436 PolarHBondContact ND2-N 3.41Å; N410-Q436 VanDerWaalsContact ND2-N 3.13Å; D434-Q436 PolarHBondContact O-N 3.24Å; D434-Q436 WeakPolarHBondContact OD1-CB 3.28Å; D434-Q436 PolarHBondContact OD1-N 3.41Å |
| 437 | S | 93.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 55.5 Ų | 55.5 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -6.8 | 177.5 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | D434 | D434-S437 WeakPolarHBondContact OD2-CB 3.41Å; D434-S437 PolarHBondContact OD2-N 2.91Å; D434-S437 PolarHBondContact OD2-OG 2.86Å |
| 438 | F | 94.7 | Very high | 96.5 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 54% | 0.544 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 42.3 | -176.5 | -53.3 | -78.8 | 0 | 0 | 0 | 113.1 | P394 Y433 D434 | P394-F438 WeakPolarHBondContact CG-O 3.35Å; Y433-F438 WeakPolarHBondContact OH-CA 3.27Å; Y433-F438 WeakPolarHBondContact OH-CB 3.39Å; Y433-F438 WeakPolarHBondContact OH-CD1 3.36Å; D434-F438 WeakPolarHBondContact O-CA 3.21Å; D434-F438 PolarHBondContact O-N 3.04Å |
| 439 | K | 95.6 | Very high | 96.5 | Very high | 141 Ų | 141 | 54.7 Ų | 54.7 | 61% | 0.613 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.2 | -175 | -72.5 | 176.3 | -175.8 | -178.1 | 0 | 112.6 | Y433 D434 | Y433-K439 WeakPolarHBondContact CA-O 2.89Å; D434-K439 PolarHBondContact N-O 3.13Å; D434-K439 PolarHBondContact O-N 3.08Å |
| 440 | W | 96.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144.5 | 163.7 | -70.6 | 99.2 | 0 | 0 | 0 | 111 | F380 P394 P395 L396 P397 V414 L431 C432 Y433 | F380-W440 HydrophobicContact CB-CZ2 4.39Å; F380-W440 AromaticContact CD1-CZ2 3.62Å; F380-W440 HydrophobicContact CD1-CZ2 3.62Å; F380-W440 HydrophobicContact CD2-CZ2 4.38Å; F380-W440 AromaticContact CE1-CZ2 3.86Å; F380-W440 HydrophobicContact CE1-CZ2 3.86Å; F380-W440 AromaticContact CG-CZ2 3.9Å; F380-W440 HydrophobicContact CG-CZ2 3.9Å; F380-W440 HydrophobicContact CZ-CZ2 4.3Å; P394-W440 PolarHBondContact O-NE1 2.71Å; P395-W440 PolarHBondContact O-NE1 2.9Å; P395-W440 VanDerWaalsContact O-NE1 3.09Å; L396-W440 HydrophobicContact CB-CZ2 4.28Å; L396-W440 HydrophobicContact CD1-CD2 4.11Å; L396-W440 HydrophobicContact CD1-CE3 3.85Å; L396-W440 HydrophobicContact CD1-CH2 3.53Å; L396-W440 HydrophobicContact CD1-CZ2 3.78Å; L396-W440 HydrophobicContact CD1-CZ3 3.56Å; P397-W440 HydrophobicContact CG-CB 3.96Å; P397-W440 HydrophobicContact CG-CG 4.22Å; V414-W440 HydrophobicContact CB-CZ3 4.29Å; V414-W440 HydrophobicContact CG2-CH2 3.68Å; V414-W440 HydrophobicContact CG2-CZ3 3.94Å; L431-W440 HydrophobicContact CB-CE3 3.93Å; L431-W440 HydrophobicContact CB-CZ3 4.05Å; C432-W440 CarbonylContact O-C 3.58Å; C432-W440 VanDerWaalsContact O-CA 3.29Å; C432-W440 WeakPolarHBondContact O-CA 3.24Å; Y433-W440 AromaticContact CD2-CD1 3.88Å; Y433-W440 AromaticContact CD2-CD2 3.97Å; Y433-W440 HydrophobicContact CD2-CD2 3.97Å; Y433-W440 AromaticContact CD2-CE2 3.75Å; Y433-W440 HydrophobicContact CD2-CG 4.05Å; Y433-W440 HydrophobicContact CD2-CZ2 4.29Å; Y433-W440 AromaticContact CD2-NE1 3.67Å; Y433-W440 HydrophobicContact CG-CD2 4.41Å; Y433-W440 HydrophobicContact CG-CZ2 4.34Å |
| 441 | G | 95.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 54.6 Ų | 54.6 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | -176.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | L431 C432 | L431-G441 WeakPolarHBondContact CA-O 3.47Å; L431-G441 WeakPolarHBondContact CD2-O 3.05Å; C432-G441 PolarHBondContact N-O 2.92Å; C432-G441 PolarHBondContact O-N 2.88Å |
| 442 | E | 96.1 | Very high | 96.6 | Very high | 164 Ų | 164 | 54.3 Ų | 54.3 | 77% | 0.766 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.4 | 173.3 | -63.7 | -174.1 | 154.9 | 0 | 0 | 110 | L431 | L431-E442 HydrophobicContact CD2-CG 3.95Å |
| 443 | A | 96.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 174.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F413 V430 C432 S445 | F413-A443 HydrophobicContact CD1-CB 4.35Å; F413-A443 HydrophobicContact CE1-CB 4.04Å; V430-A443 HydrophobicContact CB-CB 4.27Å; V430-A443 HydrophobicContact CG1-CB 3.99Å; V430-A443 PolarHBondContact O-N 2.84Å; C432-A443 HydrophobicContact CB-CB 4.32Å; A443-S445 PolarHBondContact O-N 2.91Å |
| 444 | D | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 125.3 | 179.3 | -60.4 | -72.7 | 0 | 0 | 0 | 111.6 | V430 Y481 F486 W488 | V430-D444 WeakPolarHBondContact CG2-O 3.38Å; D444-Y481 HydrophobicContact CB-CE2 4.02Å; D444-Y481 PolarHBondContact OD2-OH 3.47Å; D444-F486 VanDerWaalsContact OD2-CA 3.24Å; D444-F486 WeakPolarHBondContact OD2-CA 3.43Å; D444-F486 VanDerWaalsContact OD2-CB 3.29Å; D444-F486 WeakPolarHBondContact OD2-CB 3.45Å; D444-W488 PolarHBondContact O-NE1 3.47Å |
| 445 | S | 97.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 53 Ų | 53 | 46% | 0.455 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 150.1 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 112 | A443 W488 | A443-S445 PolarHBondContact O-N 2.91Å; S445-W488 VanDerWaalsContact O-CD1 3.3Å; S445-W488 PolarHBondContact O-NE1 3.06Å |
| 446 | L | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 150.6 | 173.4 | -69.3 | 167.8 | 0 | 0 | 0 | 111.8 | V415 D428 V430 Y448 V450 V464 W488 | V415-L446 HydrophobicContact CG1-CD1 3.75Å; V415-L446 HydrophobicContact CG1-CD2 4.01Å; V415-L446 HydrophobicContact CG1-CG 4.14Å; D428-L446 HydrophobicContact CB-CB 4.19Å; D428-L446 WeakPolarHBondContact O-CB 3.48Å; D428-L446 PolarHBondContact O-N 2.68Å; V430-L446 HydrophobicContact CG2-CG 4.07Å; L446-Y448 VanDerWaalsContact CB-O 3.28Å; L446-Y448 WeakPolarHBondContact CB-O 3.14Å; L446-Y448 PolarHBondContact O-N 2.79Å; L446-V450 HydrophobicContact CD1-CG1 3.68Å; L446-V464 HydrophobicContact CD2-CB 4.42Å; L446-V464 HydrophobicContact CD2-CG1 4.26Å; L446-V464 HydrophobicContact CD2-CG2 4.01Å; L446-W488 HydrophobicContact CD2-CD2 4.06Å; L446-W488 HydrophobicContact CD2-CE3 4.03Å; L446-W488 HydrophobicContact CD2-CH2 3.43Å; L446-W488 VanDerWaalsContact CD2-CH2 3.43Å; L446-W488 HydrophobicContact CD2-CZ2 3.43Å; L446-W488 VanDerWaalsContact CD2-CZ2 3.43Å; L446-W488 HydrophobicContact CD2-CZ3 3.72Å; L446-W488 HydrophobicContact CG-CZ2 4.27Å |
| 447 | P | 96.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -68.8 | -2.4 | 173.1 | 28.4 | -34.2 | 0 | 0 | 0 | 113.9 | W488 | P447-W488 HydrophobicContact CG-CB 4.49Š|
| 448 | Y | 97.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -160.4 | 147.8 | 173.9 | 53.9 | -91.2 | 0 | 0 | 0 | 110.7 | L446 V450 L475 K477 | L446-Y448 VanDerWaalsContact CB-O 3.28Å; L446-Y448 WeakPolarHBondContact CB-O 3.14Å; L446-Y448 PolarHBondContact O-N 2.79Å; Y448-V450 HydrophobicContact CD2-CB 3.95Å; Y448-V450 HydrophobicContact CD2-CG1 4.12Å; Y448-V450 HydrophobicContact CE2-CB 3.88Å; Y448-V450 HydrophobicContact CE2-CG1 3.86Å; Y448-V450 HydrophobicContact CE2-CG2 4.32Å; Y448-L475 HydrophobicContact CD2-CD1 3.93Å; Y448-L475 HydrophobicContact CE2-CD1 3.73Å; Y448-K477 HydrophobicContact CD1-CD 3.79Å; Y448-K477 HydrophobicContact CE1-CB 4.14Å; Y448-K477 HydrophobicContact CE1-CD 3.48Å; Y448-K477 VanDerWaalsContact CE1-CD 3.48Å; Y448-K477 HydrophobicContact CE1-CG 4.49Å; Y448-K477 HydrophobicContact CE2-CD 4.37Å; Y448-K477 HydrophobicContact CG-CD 4.36Å; Y448-K477 WeakPolarHBondContact OH-CB 3.3Å |
| 449 | A | 98.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | trans | -74 | 135.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T426 L427 D428 | T426-A449 HydrophobicContact CG2-CB 3.93Å; L427-A449 WeakPolarHBondContact O-CA 3.42Å; D428-A449 HydrophobicContact CB-CB 4.15Å | ||
| 450 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -154.6 | 142.2 | -174.3 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | G417 L427 L446 Y448 H453 V464 G466 K468 L475 | G417-V450 PolarHBondContact N-O 2.73Å; L427-V450 PolarHBondContact O-N 2.9Å; L446-V450 HydrophobicContact CD1-CG1 3.68Å; Y448-V450 HydrophobicContact CD2-CB 3.95Å; Y448-V450 HydrophobicContact CD2-CG1 4.12Å; Y448-V450 HydrophobicContact CE2-CB 3.88Å; Y448-V450 HydrophobicContact CE2-CG1 3.86Å; Y448-V450 HydrophobicContact CE2-CG2 4.32Å; V450-H453 HydrophobicContact CG2-CB 3.8Å; V450-H453 PolarHBondContact O-CE1 2.95Å; V450-H453 PolarHBondContact O-ND1 3.45Å; V450-V464 HydrophobicContact CG1-CG1 4.43Å; V450-G466 WeakPolarHBondContact CG2-O 3.11Å; V450-K468 WeakPolarHBondContact CA-O 3.44Å; V450-L475 HydrophobicContact CB-CD1 4.32Å; V450-L475 HydrophobicContact CG2-CD1 3.89Å | ||
| 451 | Y | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 157.7 | 173.3 | 73.2 | -83.8 | 0 | 0 | 0 | 112 | L402 K418 T426 H453 G467 K468 | L402-Y451 HydrophobicContact CB-CD2 4.33Å; L402-Y451 HydrophobicContact CD1-CD2 3.77Å; L402-Y451 HydrophobicContact CD1-CE2 4.27Å; L402-Y451 CarbonylContact O-C 3.55Å; K418-Y451 HydrophobicContact CD-CD1 4.4Å; K418-Y451 HydrophobicContact CD-CD2 4.17Å; K418-Y451 HydrophobicContact CD-CE2 4.38Å; K418-Y451 HydrophobicContact CD-CG 4.18Å; K418-Y451 HydrophobicContact CG-CD1 4.24Å; K418-Y451 HydrophobicContact CG-CD2 4.47Å; K418-Y451 HydrophobicContact CG-CG 4.02Å; T426-Y451 HydrophobicContact CG2-CD1 3.72Å; Y451-H453 PolarHBondContact O-N 2.86Å; Y451-G467 CarbonylContact O-C 3.48Å; Y451-G467 WeakPolarHBondContact O-CA 3.41Å; Y451-K468 HydrophobicContact CD1-CB 4.07Å; Y451-K468 WeakPolarHBondContact CD1-O 3.49Å; Y451-K468 HydrophobicContact CE1-CB 3.54Å; Y451-K468 HydrophobicContact CE2-CB 4.13Å; Y451-K468 HydrophobicContact CE2-CD 4.35Å; Y451-K468 PolarHBondContact N-O 3.14Å; Y451-K468 PolarHBondContact O-N 3.38Å |
| 452 | G | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 61.3 | 26.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L402 G467 S499 L500 | L402-G452 PolarHBondContact O-N 2.95Å; G452-G467 WeakPolarHBondContact O-CA 3.34Å; G452-S499 WeakPolarHBondContact O-CA 3.39Å; G452-S499 PolarHBondContact O-OG 2.87Å; G452-L500 PolarHBondContact O-N 3.39Å |
| 453 | H | 98.8 | Very high | 98 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | trans | -86.4 | 160.9 | 172.6 | 57.4 | -86.3 | 0 | 0 | 0 | 109.8 | G404 V415 V450 Y451 I465 | G404-H453 PolarHBondContact N-NE2 3.49Å; V415-H453 PolarHBondContact O-CE1 2.99Å; V415-H453 PolarHBondContact O-NE2 2.96Å; V415-H453 VanDerWaalsContact O-NE2 3.17Å; V450-H453 HydrophobicContact CG2-CB 3.8Å; V450-H453 PolarHBondContact O-CE1 2.95Å; V450-H453 PolarHBondContact O-ND1 3.45Å; Y451-H453 PolarHBondContact O-N 2.86Å; H453-I465 WeakPolarHBondContact CA-O 3.34Å; H453-I465 WeakPolarHBondContact CB-O 3.37Å | ||
| 454 | A | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 148.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | I465 F501 A503 | A454-I465 PolarHBondContact N-O 3.11Å; A454-I465 PolarHBondContact O-N 3.33Å; A454-F501 HydrophobicContact CB-CD2 4.41Å; A454-F501 HydrophobicContact CB-CE1 4.24Å; A454-F501 HydrophobicContact CB-CE2 3.65Å; A454-F501 HydrophobicContact CB-CZ 3.56Å; A454-A503 HydrophobicContact CB-CB 3.52Å |
| 455 | V | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 12% | 0.121 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.7 | 167.8 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | L405 V415 V462 Y463 V464 | L405-V455 WeakPolarHBondContact O-CB 3.41Å; L405-V455 WeakPolarHBondContact O-CG1 3.39Å; V415-V455 HydrophobicContact CB-CG2 4.13Å; V415-V455 HydrophobicContact CG1-CG2 4.38Å; V415-V455 HydrophobicContact CG2-CG2 4.46Å; V455-V462 HydrophobicContact CG1-CG1 3.51Å; V455-Y463 VanDerWaalsContact CA-O 3.25Å; V455-Y463 WeakPolarHBondContact CA-O 3.44Å; V455-V464 HydrophobicContact CG2-CG2 4.09Å |
| 456 | V | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.2 | 173.7 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | Y463 I465 A503 V505 I510 | V456-Y463 HydrophobicContact CG2-CD2 4.49Å; V456-Y463 HydrophobicContact CG2-CG 4.41Å; V456-Y463 PolarHBondContact N-O 3.35Å; V456-Y463 VanDerWaalsContact N-O 3.08Å; V456-Y463 PolarHBondContact O-N 2.61Å; V456-I465 HydrophobicContact CG2-CD1 4.02Å; V456-A503 HydrophobicContact CG1-CB 3.86Å; V456-V505 HydrophobicContact CB-CG2 4.21Å; V456-V505 HydrophobicContact CG2-CG2 4.24Å; V456-I510 HydrophobicContact CG2-CD1 3.8Å; V456-I510 HydrophobicContact CG2-CG1 4.09Å; V456-I510 HydrophobicContact CG2-CG2 3.99Å |
| 457 | S | 98.4 | Very high | 98.3 | Very high | 32 Ų | 32 | 24.9 Ų | 24.9 | 22% | 0.224 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.6 | 177.8 | -74.3 | 0 | 0 | 0 | 0 | 111 | G406 E407 L461 | G406-S457 WeakPolarHBondContact CA-OG 3.28Å; E407-S457 PolarHBondContact N-OG 2.78Å; E407-S457 WeakPolarHBondContact O-CB 2.99Å; E407-S457 PolarHBondContact O-OG 2.72Å; S457-L461 WeakPolarHBondContact CA-O 3.23Å |
| 458 | H | 98.1 | Very high | 98.3 | Very high | 44 Ų | 44 | 23 Ų | 23 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 130.3 | 174.7 | -166.9 | 49.8 | 0 | 0 | 0 | 111.6 | D460 L461 Y463 V505 D508 I530 | H458-D460 PolarHBondContact O-N 3.13Å; H458-D460 VanDerWaalsContact O-N 3.16Å; H458-L461 PolarHBondContact N-O 3.32Å; H458-L461 WeakPolarHBondContact O-CB 3.34Å; H458-L461 PolarHBondContact O-N 3.28Å; H458-Y463 HydrophobicContact CB-CE2 3.98Å; H458-V505 HydrophobicContact CB-CG2 4.06Å; H458-D508 IonicContact CE1-OD1 3.72Å; H458-D508 PolarHBondContact CE1-OD1 2.99Å; H458-D508 WeakPolarHBondContact NE2-CA 3.5Å; H458-D508 WeakPolarHBondContact NE2-CB 3.31Å; H458-D508 IonicContact NE2-OD1 2.88Å; H458-D508 PolarHBondContact NE2-OD1 2.89Å; H458-D508 IonicContact NE2-OD2 3.02Å; H458-I530 HydrophobicContact CB-CD1 4.5Å; H458-I530 WeakPolarHBondContact CD2-CD1 3.3Å |
| 459 | K | 96.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 21.8 Ų | 21.8 | 52% | 0.522 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 45.7 | 176.4 | -65.4 | 172.1 | -176.8 | 167.8 | 0 | 113 | L461 D508 | K459-L461 VanDerWaalsContact C-N 3.26Å; K459-L461 PolarHBondContact O-N 3Å; K459-D508 VanDerWaalsContact CE-OD1 3.24Å; K459-D508 WeakPolarHBondContact CE-OD1 3.25Å; K459-D508 IonicContact NZ-OD1 2.62Å; K459-D508 PolarHBondContact NZ-OD1 3.43Å; K459-D508 IonicContact NZ-OD2 3.85Å; K459-D508 PolarHBondContact NZ-OD2 3.08Å |
| 460 | D | 97 | Very high | 98.1 | Very high | 50 Ų | 50 | 25 Ų | 25 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 27 | 177.6 | -55.4 | -69.2 | 0 | 0 | 0 | 114.7 | K355 A408 E409 H458 P483 | K355-D460 IonicContact NZ-OD1 2.72Å; K355-D460 PolarHBondContact NZ-OD1 2.97Å; K355-D460 IonicContact NZ-OD2 3.53Å; K355-D460 PolarHBondContact NZ-OD2 3.16Å; A408-D460 HydrophobicContact CB-CB 4.39Å; E409-D460 HydrophobicContact CG-CB 4.22Å; E409-D460 PolarHBondContact N-OD1 3.13Å; H458-D460 PolarHBondContact O-N 3.13Å; H458-D460 VanDerWaalsContact O-N 3.16Å; D460-P483 WeakPolarHBondContact O-CD 3.39Å |
| 461 | L | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.9 | 169.2 | -57.3 | 177.8 | 0 | 0 | 0 | 109.9 | S457 H458 K459 Y463 V480 Y481 N482 | S457-L461 WeakPolarHBondContact CA-O 3.23Å; H458-L461 PolarHBondContact N-O 3.32Å; H458-L461 WeakPolarHBondContact O-CB 3.34Å; H458-L461 PolarHBondContact O-N 3.28Å; K459-L461 VanDerWaalsContact C-N 3.26Å; K459-L461 PolarHBondContact O-N 3Å; L461-Y463 HydrophobicContact CB-CD2 4.48Å; L461-Y463 HydrophobicContact CB-CE2 3.78Å; L461-V480 HydrophobicContact CB-CG2 3.68Å; L461-V480 HydrophobicContact CD1-CG2 4.19Å; L461-V480 HydrophobicContact CG-CG2 4.4Å; L461-Y481 WeakPolarHBondContact CA-O 3.49Å; L461-N482 HydrophobicContact CD2-CB 3.69Å |
| 462 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.8 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | A408 F413 V415 V455 V480 Y481 | A408-V462 HydrophobicContact CB-CG2 4.09Å; F413-V462 HydrophobicContact CD2-CG2 4Å; F413-V462 HydrophobicContact CE2-CG2 4.43Å; F413-V462 HydrophobicContact CG-CG2 4.45Å; V415-V462 HydrophobicContact CG2-CG1 4.48Å; V455-V462 HydrophobicContact CG1-CG1 3.51Å; V462-V480 CarbonylContact O-C 3.52Å; V462-V480 WeakPolarHBondContact O-CA 3.31Å; V462-Y481 PolarHBondContact N-O 3.17Å; V462-Y481 PolarHBondContact O-N 3.25Å |
| 463 | Y | 98.9 | Very high | 97.7 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137 | -179.1 | -63 | -104.3 | 0 | 0 | 0 | 110.2 | V455 V456 H458 L461 M478 C479 V480 L491 I510 I530 | V455-Y463 VanDerWaalsContact CA-O 3.25Å; V455-Y463 WeakPolarHBondContact CA-O 3.44Å; V456-Y463 HydrophobicContact CG2-CD2 4.49Å; V456-Y463 HydrophobicContact CG2-CG 4.41Å; V456-Y463 PolarHBondContact N-O 3.35Å; V456-Y463 VanDerWaalsContact N-O 3.08Å; V456-Y463 PolarHBondContact O-N 2.61Å; H458-Y463 HydrophobicContact CB-CE2 3.98Å; L461-Y463 HydrophobicContact CB-CD2 4.48Å; L461-Y463 HydrophobicContact CB-CE2 3.78Å; Y463-M478 HydrophobicContact CD1-SD 4.36Å; Y463-C479 WeakPolarHBondContact CA-O 3.43Å; Y463-V480 HydrophobicContact CD1-CB 3.84Å; Y463-V480 HydrophobicContact CD1-CG2 3.8Å; Y463-V480 HydrophobicContact CD2-CG2 4.1Å; Y463-V480 HydrophobicContact CE1-CB 3.94Å; Y463-V480 HydrophobicContact CE1-CG2 3.66Å; Y463-V480 HydrophobicContact CE2-CG2 3.96Å; Y463-V480 HydrophobicContact CG-CB 4.35Å; Y463-V480 HydrophobicContact CG-CG2 4.01Å; Y463-L491 HydrophobicContact CD1-CD1 3.82Å; Y463-L491 HydrophobicContact CE1-CD1 3.75Å; Y463-I510 HydrophobicContact CD1-CD1 3.67Å; Y463-I510 HydrophobicContact CD2-CD1 4.18Å; Y463-I510 HydrophobicContact CE1-CD1 4.07Å; Y463-I510 HydrophobicContact CG-CD1 3.74Å; Y463-I530 WeakPolarHBondContact OH-CG2 3.46Å |
| 464 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.4 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 108.6 | V415 L446 V450 V455 M478 C479 W488 | V415-V464 HydrophobicContact CG1-CG2 3.67Å; L446-V464 HydrophobicContact CD2-CB 4.42Å; L446-V464 HydrophobicContact CD2-CG1 4.26Å; L446-V464 HydrophobicContact CD2-CG2 4.01Å; V450-V464 HydrophobicContact CG1-CG1 4.43Å; V455-V464 HydrophobicContact CG2-CG2 4.09Å; V464-M478 VanDerWaalsContact O-CA 3.25Å; V464-M478 WeakPolarHBondContact O-CA 3.33Å; V464-C479 PolarHBondContact N-O 3.04Å; V464-C479 PolarHBondContact O-N 2.84Å; V464-W488 HydrophobicContact CB-CH2 4.49Å; V464-W488 HydrophobicContact CB-CZ3 4.2Å; V464-W488 HydrophobicContact CG2-CH2 3.43Å; V464-W488 VanDerWaalsContact CG2-CH2 3.43Å; V464-W488 HydrophobicContact CG2-CZ3 3.56Å |
| 465 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.7 | -163.6 | -45.2 | 171.8 | 0 | 0 | 0 | 110.8 | H453 A454 V456 M478 M494 F501 I510 V512 W535 | H453-I465 WeakPolarHBondContact CA-O 3.34Å; H453-I465 WeakPolarHBondContact CB-O 3.37Å; A454-I465 PolarHBondContact N-O 3.11Å; A454-I465 PolarHBondContact O-N 3.33Å; V456-I465 HydrophobicContact CG2-CD1 4.02Å; I465-M478 HydrophobicContact CD1-SD 4.16Å; I465-M478 HydrophobicContact CG1-CG 4.03Å; I465-M478 HydrophobicContact CG1-SD 3.87Å; I465-M494 HydrophobicContact CG2-CE 3.86Å; I465-M494 HydrophobicContact CG2-CG 4.39Å; I465-M494 HydrophobicContact CG2-SD 3.68Å; I465-F501 HydrophobicContact CB-CZ 4.06Å; I465-F501 HydrophobicContact CG2-CE2 4.33Å; I465-F501 HydrophobicContact CG2-CZ 3.93Å; I465-F501 VanDerWaalsContact O-CZ 3.27Å; I465-F501 WeakPolarHBondContact O-CZ 3.22Å; I465-I510 HydrophobicContact CD1-CG2 3.64Å; I465-V512 HydrophobicContact CD1-CG1 4.49Å; I465-V512 HydrophobicContact CG2-CG1 4.3Å; I465-W535 HydrophobicContact CG2-CH2 4.34Å; I465-W535 HydrophobicContact CG2-CZ2 4.36Å |
| 466 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 62.9 | -134.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V450 L475 K477 | V450-G466 WeakPolarHBondContact CG2-O 3.11Å; G466-L475 WeakPolarHBondContact CA-O 3.12Å; G466-K477 PolarHBondContact N-O 2.67Å | ||
| 467 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | 85.5 | -165.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y451 G452 C474 L475 R498 | Y451-G467 CarbonylContact O-C 3.48Å; Y451-G467 WeakPolarHBondContact O-CA 3.41Å; G452-G467 WeakPolarHBondContact O-CA 3.34Å; G467-C474 CarbonylContact O-C 3.53Å; G467-C474 WeakPolarHBondContact O-CA 3.32Å; G467-L475 PolarHBondContact O-N 2.79Å; G467-R498 PolarHBondContact N-O 2.97Å | ||
| 468 | K | 98.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 135 | 175.4 | -74.6 | -178 | 172.6 | -168.1 | 0 | 111 | V450 Y451 K472 K473 C474 | V450-K468 WeakPolarHBondContact CA-O 3.44Å; Y451-K468 HydrophobicContact CD1-CB 4.07Å; Y451-K468 WeakPolarHBondContact CD1-O 3.49Å; Y451-K468 HydrophobicContact CE1-CB 3.54Å; Y451-K468 HydrophobicContact CE2-CB 4.13Å; Y451-K468 HydrophobicContact CE2-CD 4.35Å; Y451-K468 PolarHBondContact N-O 3.14Å; Y451-K468 PolarHBondContact O-N 3.38Å; K468-K472 WeakPolarHBondContact CD-O 3.4Å; K468-K473 VanDerWaalsContact CA-O 3.26Å; K468-K473 WeakPolarHBondContact CA-O 3.36Å; K468-C474 WeakPolarHBondContact CE-SG 3.4Å |
| 469 | G | 96.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | trans | -80.7 | -180 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D471 K472 K473 | G469-D471 PolarHBondContact O-N 2.96Å; G469-D471 VanDerWaalsContact O-N 3.15Å; G469-K472 WeakPolarHBondContact O-CA 3.42Å; G469-K472 PolarHBondContact O-N 3.37Å; G469-K473 PolarHBondContact N-O 3.3Å | ||
| 470 | S | 94.1 | Very high | 97.8 | Very high | 85 Ų | 85 | 40 Ų | 40 | 59% | 0.594 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.9 | 177.1 | -48.4 | 0 | 0 | 0 | 0 | 114.2 | K472 | S470-K472 PolarHBondContact O-N 2.94Š|
| 471 | D | 94.8 | Very high | 97.9 | Very high | 98 Ų | 98 | 38 Ų | 38 | 52% | 0.524 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.2 | 172.8 | 73.8 | -20.8 | 0 | 0 | 0 | 113.5 | G469 K473 | G469-D471 PolarHBondContact O-N 2.96Å; G469-D471 VanDerWaalsContact O-N 3.15Å; D471-K473 PolarHBondContact O-N 3.06Å; D471-K473 PolarHBondContact OD1-N 3.3Å; D471-K473 VanDerWaalsContact OD1-N 3.15Å; D471-K473 WeakPolarHBondContact OD2-CD 3.37Å; D471-K473 WeakPolarHBondContact OD2-CG 3.29Å |
| 472 | K | 94.6 | Very high | 97.9 | Very high | 147 Ų | 147 | 37.9 Ų | 37.9 | 64% | 0.639 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 65.6 | 8.1 | -178.6 | -52.3 | 179.6 | -178.7 | -178.7 | 0 | 115.1 | K468 G469 S470 | K468-K472 WeakPolarHBondContact CD-O 3.4Å; G469-K472 WeakPolarHBondContact O-CA 3.42Å; G469-K472 PolarHBondContact O-N 3.37Å; S470-K472 PolarHBondContact O-N 2.94Å |
| 473 | K | 97.9 | Very high | 97.7 | Very high | 118 Ų | 118 | 38.4 Ų | 38.4 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -85.1 | 149.3 | 175.3 | -64.7 | -172 | -174.5 | 171.9 | 0 | 111.7 | K468 G469 D471 | K468-K473 VanDerWaalsContact CA-O 3.26Å; K468-K473 WeakPolarHBondContact CA-O 3.36Å; G469-K473 PolarHBondContact N-O 3.3Å; D471-K473 PolarHBondContact O-N 3.06Å; D471-K473 PolarHBondContact OD1-N 3.3Å; D471-K473 VanDerWaalsContact OD1-N 3.15Å; D471-K473 WeakPolarHBondContact OD2-CD 3.37Å; D471-K473 WeakPolarHBondContact OD2-CG 3.29Å |
| 474 | C | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 141.2 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | G467 K468 A497 V516 D518 | G467-C474 CarbonylContact O-C 3.53Å; G467-C474 WeakPolarHBondContact O-CA 3.32Å; K468-C474 WeakPolarHBondContact CE-SG 3.4Å; C474-A497 HydrophobicContact CB-CB 3.94Å; C474-A497 WeakPolarHBondContact O-CB 3.5Å; C474-V516 PolarHBondContact SG-O 2.84Å; C474-D518 PolarHBondContact N-OD1 3.43Å; C474-D518 PolarHBondContact SG-OD1 3.49Å |
| 475 | L | 98.7 | Very high | 97.4 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 145.4 | 178.6 | -60.1 | 178.1 | 0 | 0 | 0 | 110.2 | Y448 V450 G466 G467 A497 R498 | Y448-L475 HydrophobicContact CD2-CD1 3.93Å; Y448-L475 HydrophobicContact CE2-CD1 3.73Å; V450-L475 HydrophobicContact CB-CD1 4.32Å; V450-L475 HydrophobicContact CG2-CD1 3.89Å; G466-L475 WeakPolarHBondContact CA-O 3.12Å; G467-L475 PolarHBondContact O-N 2.79Å; L475-A497 WeakPolarHBondContact O-CA 3.49Å; L475-R498 PolarHBondContact O-N 3.23Å |
| 476 | K | 98.5 | Very high | 97.3 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | trans | -99.9 | -0.2 | 164.9 | 63.3 | 173.4 | -176.7 | 178.1 | 0 | 113.1 | P493 M494 A497 | K476-P493 HydrophobicContact CB-CB 4.31Å; K476-P493 HydrophobicContact CD-CB 4.04Å; K476-P493 HydrophobicContact CG-CB 3.9Å; K476-P493 CarbonylContact O-C 3.54Å; K476-P493 WeakPolarHBondContact O-CA 3.4Å; K476-P493 WeakPolarHBondContact O-CB 3Å; K476-M494 HydrophobicContact CB-CB 4.33Å; K476-M494 WeakPolarHBondContact CB-O 3.45Å; K476-M494 PolarHBondContact O-N 2.98Å; K476-A497 HydrophobicContact CB-CB 4.13Å | ||
| 477 | K | 98.5 | Very high | 97.2 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | trans | -66 | 150.6 | -174.1 | -68 | -165.6 | 173.6 | -159 | 0 | 111.1 | Y448 G466 E490 | Y448-K477 HydrophobicContact CD1-CD 3.79Å; Y448-K477 HydrophobicContact CE1-CB 4.14Å; Y448-K477 HydrophobicContact CE1-CD 3.48Å; Y448-K477 VanDerWaalsContact CE1-CD 3.48Å; Y448-K477 HydrophobicContact CE1-CG 4.49Å; Y448-K477 HydrophobicContact CE2-CD 4.37Å; Y448-K477 HydrophobicContact CG-CD 4.36Å; Y448-K477 WeakPolarHBondContact OH-CB 3.3Å; G466-K477 PolarHBondContact N-O 2.67Å; K477-E490 IonicContact NZ-OE1 2.62Å | ||
| 478 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.9 | 164 | 178.5 | 168.2 | 58.9 | 0 | 0 | 109 | Y463 V464 I465 L491 Y528 W535 | Y463-M478 HydrophobicContact CD1-SD 4.36Å; V464-M478 VanDerWaalsContact O-CA 3.25Å; V464-M478 WeakPolarHBondContact O-CA 3.33Å; I465-M478 HydrophobicContact CD1-SD 4.16Å; I465-M478 HydrophobicContact CG1-CG 4.03Å; I465-M478 HydrophobicContact CG1-SD 3.87Å; M478-L491 HydrophobicContact CB-CB 4.44Å; M478-L491 HydrophobicContact CE-CB 3.81Å; M478-L491 HydrophobicContact CE-CD1 3.96Å; M478-L491 HydrophobicContact CG-CB 4.27Å; M478-L491 HydrophobicContact CG-CD1 4.21Å; M478-L491 PolarHBondContact O-N 3.48Å; M478-L491 HydrophobicContact SD-CD1 4.34Å; M478-Y528 HydrophobicContact CE-CD1 3.76Å; M478-Y528 HydrophobicContact CE-CD2 3.51Å; M478-Y528 HydrophobicContact CE-CE1 3.63Å; M478-Y528 HydrophobicContact CE-CE2 3.38Å; M478-Y528 HydrophobicContact CE-CG 3.69Å; M478-Y528 VanDerWaalsContact CE-CZ 3.45Å; M478-Y528 HydrophobicContact SD-CD1 4.43Å; M478-Y528 HydrophobicContact SD-CE1 4.5Å; M478-W535 HydrophobicContact CE-CZ2 3.7Å; M478-W535 HydrophobicContact SD-CZ2 3.87Å |
| 479 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 162 | 167.6 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | Y463 V464 W488 K489 | Y463-C479 WeakPolarHBondContact CA-O 3.43Å; V464-C479 PolarHBondContact N-O 3.04Å; V464-C479 PolarHBondContact O-N 2.84Å; C479-W488 HydrophobicContact CB-CE3 4.01Å; C479-W488 HydrophobicContact CB-CZ3 4.48Å; C479-W488 VanDerWaalsContact SG-CE3 3.58Å; C479-K489 CarbonylContact C-O 3.53Å; C479-K489 WeakPolarHBondContact CA-O 3.42Å; C479-K489 WeakPolarHBondContact CB-O 3.3Å |
| 480 | V | 98.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.8 | 176.9 | 64 | 0 | 0 | 0 | 0 | 109.9 | L461 V462 Y463 W488 K489 L491 | L461-V480 HydrophobicContact CB-CG2 3.68Å; L461-V480 HydrophobicContact CD1-CG2 4.19Å; L461-V480 HydrophobicContact CG-CG2 4.4Å; V462-V480 CarbonylContact O-C 3.52Å; V462-V480 WeakPolarHBondContact O-CA 3.31Å; Y463-V480 HydrophobicContact CD1-CB 3.84Å; Y463-V480 HydrophobicContact CD1-CG2 3.8Å; Y463-V480 HydrophobicContact CD2-CG2 4.1Å; Y463-V480 HydrophobicContact CE1-CB 3.94Å; Y463-V480 HydrophobicContact CE1-CG2 3.66Å; Y463-V480 HydrophobicContact CE2-CG2 3.96Å; Y463-V480 HydrophobicContact CG-CB 4.35Å; Y463-V480 HydrophobicContact CG-CG2 4.01Å; V480-W488 WeakPolarHBondContact O-CA 3.21Å; V480-K489 HydrophobicContact CG1-CB 4.13Å; V480-K489 PolarHBondContact N-O 2.84Å; V480-K489 PolarHBondContact O-N 2.77Å; V480-L491 HydrophobicContact CB-CD1 3.8Å; V480-L491 HydrophobicContact CB-CG 4.43Å; V480-L491 HydrophobicContact CG1-CD1 3.71Å; V480-L491 HydrophobicContact CG1-CD2 4.04Å; V480-L491 HydrophobicContact CG1-CG 3.93Å |
| 481 | Y | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.2 | 173.2 | -177.1 | -119.8 | 0 | 0 | 0 | 110.7 | F413 D444 L461 V462 P483 E487 W488 | F413-Y481 HydrophobicContact CE1-CD1 4.32Å; F413-Y481 AromaticContact CE1-CE1 3.78Å; F413-Y481 HydrophobicContact CE1-CE1 3.78Å; F413-Y481 HydrophobicContact CZ-CE1 4.09Å; D444-Y481 HydrophobicContact CB-CE2 4.02Å; D444-Y481 PolarHBondContact OD2-OH 3.47Å; L461-Y481 WeakPolarHBondContact CA-O 3.49Å; V462-Y481 PolarHBondContact N-O 3.17Å; V462-Y481 PolarHBondContact O-N 3.25Å; Y481-P483 HydrophobicContact CD1-CB 4.44Å; Y481-P483 HydrophobicContact CE1-CB 3.86Å; Y481-E487 WeakPolarHBondContact CA-O 3.36Å; Y481-E487 WeakPolarHBondContact CD2-O 3.24Å; Y481-W488 AromaticContact CD2-CD1 3.88Å; Y481-W488 HydrophobicContact CD2-CD2 4.01Å; Y481-W488 AromaticContact CD2-CE2 3.73Å; Y481-W488 HydrophobicContact CD2-CG 4.09Å; Y481-W488 HydrophobicContact CD2-CZ2 4.23Å; Y481-W488 AromaticContact CD2-NE1 3.64Å; Y481-W488 HydrophobicContact CG-CD2 4.31Å; Y481-W488 AromaticContact CG-CE2 3.94Å; Y481-W488 HydrophobicContact CG-CH2 4.39Å; Y481-W488 AromaticContact CG-CZ2 3.99Å; Y481-W488 HydrophobicContact CG-CZ2 3.99Å |
| 482 | N | 97.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107.1 | 170.9 | -174.7 | -41.3 | 0 | 0 | 0 | 109.4 | L461 N484 K485 F486 E487 | L461-N482 HydrophobicContact CD2-CB 3.69Å; N482-N484 VanDerWaalsContact C-N 3.27Å; N482-N484 PolarHBondContact O-N 2.9Å; N482-N484 WeakPolarHBondContact OD1-CB 3.39Å; N482-N484 PolarHBondContact OD1-N 2.9Å; N482-K485 HydrophobicContact CB-CB 4.14Å; N482-K485 HydrophobicContact CB-CD 4.46Å; N482-K485 HydrophobicContact CB-CG 4.43Å; N482-K485 PolarHBondContact O-N 2.61Å; N482-K485 PolarHBondContact OD1-N 2.98Å; N482-F486 PolarHBondContact O-N 2.74Å; N482-E487 PolarHBondContact N-O 2.96Å |
| 483 | P | 95.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -26.4 | -176.4 | 28.2 | -36.3 | 0 | 0 | 0 | 113.2 | A408 E409 F413 D460 Y481 K485 F486 | A408-P483 HydrophobicContact CB-CG 3.81Å; E409-P483 HydrophobicContact CG-CG 4.49Å; F413-P483 HydrophobicContact CZ-CB 4.31Å; D460-P483 WeakPolarHBondContact O-CD 3.39Å; Y481-P483 HydrophobicContact CD1-CB 4.44Å; Y481-P483 HydrophobicContact CE1-CB 3.86Å; P483-K485 PolarHBondContact O-N 2.82Å; P483-F486 WeakPolarHBondContact O-CE1 3.42Å; P483-F486 WeakPolarHBondContact O-CZ 3.5Å |
| 484 | N | 95.2 | Very high | 97.9 | Very high | 109 Ų | 109 | 56.1 Ų | 56.1 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.3 | 174.7 | -77 | -82.3 | 0 | 0 | 0 | 113.3 | E409 N482 | E409-N484 PolarHBondContact OE1-ND2 3.08Å; E409-N484 PolarHBondContact OE1-OD1 2.86Å; N482-N484 VanDerWaalsContact C-N 3.27Å; N482-N484 PolarHBondContact O-N 2.9Å; N482-N484 WeakPolarHBondContact OD1-CB 3.39Å; N482-N484 PolarHBondContact OD1-N 2.9Å |
| 485 | K | 96.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 60.8 Ų | 60.8 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -12.7 | -176.2 | -67.5 | -173 | 175 | -172 | 0 | 114 | N482 P483 E487 | N482-K485 HydrophobicContact CB-CB 4.14Å; N482-K485 HydrophobicContact CB-CD 4.46Å; N482-K485 HydrophobicContact CB-CG 4.43Å; N482-K485 PolarHBondContact O-N 2.61Å; N482-K485 PolarHBondContact OD1-N 2.98Å; P483-K485 PolarHBondContact O-N 2.82Å; K485-E487 HydrophobicContact CB-CB 3.96Å; K485-E487 PolarHBondContact O-N 3.08Å |
| 486 | F | 95.6 | Very high | 97.8 | Very high | 147 Ų | 147 | 62.6 Ų | 62.6 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 46.4 | -174.4 | -50.9 | -75.1 | 0 | 0 | 0 | 110.3 | D444 N482 P483 | D444-F486 VanDerWaalsContact OD2-CA 3.24Å; D444-F486 WeakPolarHBondContact OD2-CA 3.43Å; D444-F486 VanDerWaalsContact OD2-CB 3.29Å; D444-F486 WeakPolarHBondContact OD2-CB 3.45Å; N482-F486 PolarHBondContact O-N 2.74Å; P483-F486 WeakPolarHBondContact O-CE1 3.42Å; P483-F486 WeakPolarHBondContact O-CZ 3.5Å |
| 487 | E | 96.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126.5 | -169.3 | -173.9 | -176 | -162.6 | 0 | 0 | 111.6 | Y481 N482 K485 | Y481-E487 WeakPolarHBondContact CA-O 3.36Å; Y481-E487 WeakPolarHBondContact CD2-O 3.24Å; N482-E487 PolarHBondContact N-O 2.96Å; K485-E487 HydrophobicContact CB-CB 3.96Å; K485-E487 PolarHBondContact O-N 3.08Å |
| 488 | W | 98.4 | Very high | 97.8 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 15% | 0.148 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.5 | 163.4 | -77.5 | 101.3 | 0 | 0 | 0 | 110.9 | V415 V430 D444 S445 L446 P447 V464 C479 V480 Y481 | V415-W488 HydrophobicContact CG1-CH2 4.49Å; V430-W488 HydrophobicContact CG2-CZ2 4Å; D444-W488 PolarHBondContact O-NE1 3.47Å; S445-W488 VanDerWaalsContact O-CD1 3.3Å; S445-W488 PolarHBondContact O-NE1 3.06Å; L446-W488 HydrophobicContact CD2-CD2 4.06Å; L446-W488 HydrophobicContact CD2-CE3 4.03Å; L446-W488 HydrophobicContact CD2-CH2 3.43Å; L446-W488 VanDerWaalsContact CD2-CH2 3.43Å; L446-W488 HydrophobicContact CD2-CZ2 3.43Å; L446-W488 VanDerWaalsContact CD2-CZ2 3.43Å; L446-W488 HydrophobicContact CD2-CZ3 3.72Å; L446-W488 HydrophobicContact CG-CZ2 4.27Å; P447-W488 HydrophobicContact CG-CB 4.49Å; V464-W488 HydrophobicContact CB-CH2 4.49Å; V464-W488 HydrophobicContact CB-CZ3 4.2Å; V464-W488 HydrophobicContact CG2-CH2 3.43Å; V464-W488 VanDerWaalsContact CG2-CH2 3.43Å; V464-W488 HydrophobicContact CG2-CZ3 3.56Å; C479-W488 HydrophobicContact CB-CE3 4.01Å; C479-W488 HydrophobicContact CB-CZ3 4.48Å; C479-W488 VanDerWaalsContact SG-CE3 3.58Å; V480-W488 WeakPolarHBondContact O-CA 3.21Å; Y481-W488 AromaticContact CD2-CD1 3.88Å; Y481-W488 HydrophobicContact CD2-CD2 4.01Å; Y481-W488 AromaticContact CD2-CE2 3.73Å; Y481-W488 HydrophobicContact CD2-CG 4.09Å; Y481-W488 HydrophobicContact CD2-CZ2 4.23Å; Y481-W488 AromaticContact CD2-NE1 3.64Å; Y481-W488 HydrophobicContact CG-CD2 4.31Å; Y481-W488 AromaticContact CG-CE2 3.94Å; Y481-W488 HydrophobicContact CG-CH2 4.39Å; Y481-W488 AromaticContact CG-CZ2 3.99Å; Y481-W488 HydrophobicContact CG-CZ2 3.99Å |
| 489 | K | 98.4 | Very high | 97.9 | Very high | 122 Ų | 122 | 55.3 Ų | 55.3 | 53% | 0.53 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.5 | 176.7 | -179.6 | 177.7 | 176.9 | -176.3 | 0 | 111.5 | C479 V480 | C479-K489 CarbonylContact C-O 3.53Å; C479-K489 WeakPolarHBondContact CA-O 3.42Å; C479-K489 WeakPolarHBondContact CB-O 3.3Å; V480-K489 HydrophobicContact CG1-CB 4.13Å; V480-K489 PolarHBondContact N-O 2.84Å; V480-K489 PolarHBondContact O-N 2.77Å |
| 490 | E | 98.4 | Very high | 97.9 | Very high | 119 Ų | 119 | 58.3 Ų | 58.3 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 137.3 | 170.9 | -166.9 | 164.5 | -145.6 | 0 | 0 | 110.6 | K477 | K477-E490 IonicContact NZ-OE1 2.62Å |
| 491 | L | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | trans | -114.4 | 178.1 | -178.9 | -64.5 | 179.6 | 0 | 0 | 0 | 110.6 | Y463 M478 V480 | Y463-L491 HydrophobicContact CD1-CD1 3.82Å; Y463-L491 HydrophobicContact CE1-CD1 3.75Å; M478-L491 HydrophobicContact CB-CB 4.44Å; M478-L491 HydrophobicContact CE-CB 3.81Å; M478-L491 HydrophobicContact CE-CD1 3.96Å; M478-L491 HydrophobicContact CG-CB 4.27Å; M478-L491 HydrophobicContact CG-CD1 4.21Å; M478-L491 PolarHBondContact O-N 3.48Å; M478-L491 HydrophobicContact SD-CD1 4.34Å; V480-L491 HydrophobicContact CB-CD1 3.8Å; V480-L491 HydrophobicContact CB-CG 4.43Å; V480-L491 HydrophobicContact CG1-CD1 3.71Å; V480-L491 HydrophobicContact CG1-CD2 4.04Å; V480-L491 HydrophobicContact CG1-CG 3.93Å | ||
| 492 | A | 98.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 132.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y528 N533 W535 | A492-Y528 HydrophobicContact CB-CE2 4.41Å; A492-N533 VanDerWaalsContact CB-O 3.31Å; A492-N533 WeakPolarHBondContact CB-O 3.38Å; A492-N533 WeakPolarHBondContact CB-OD1 3.18Å; A492-N533 PolarHBondContact N-OD1 3.47Å; A492-W535 PolarHBondContact O-NE1 2.94Å |
| 493 | P | 98.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 153.9 | 179.4 | 31.8 | -35.4 | 0 | 0 | 0 | 112 | K476 W535 | K476-P493 HydrophobicContact CB-CB 4.31Å; K476-P493 HydrophobicContact CD-CB 4.04Å; K476-P493 HydrophobicContact CG-CB 3.9Å; K476-P493 CarbonylContact O-C 3.54Å; K476-P493 WeakPolarHBondContact O-CA 3.4Å; K476-P493 WeakPolarHBondContact O-CB 3Å; P493-W535 VanDerWaalsContact C-CD1 3.4Å |
| 494 | M | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 159.7 | 168.8 | -65.9 | -179.7 | -65.8 | 0 | 0 | 111.4 | I465 K476 R498 V512 W535 | I465-M494 HydrophobicContact CG2-CE 3.86Å; I465-M494 HydrophobicContact CG2-CG 4.39Å; I465-M494 HydrophobicContact CG2-SD 3.68Å; K476-M494 HydrophobicContact CB-CB 4.33Å; K476-M494 WeakPolarHBondContact CB-O 3.45Å; K476-M494 PolarHBondContact O-N 2.98Å; M494-R498 HydrophobicContact CE-CG 3.7Å; M494-R498 HydrophobicContact SD-CG 3.94Å; M494-V512 HydrophobicContact SD-CG1 4.43Å; M494-V512 HydrophobicContact SD-CG2 3.89Å; M494-W535 HydrophobicContact CG-CD2 4.05Å; M494-W535 HydrophobicContact CG-CE3 4.22Å; M494-W535 HydrophobicContact CG-CH2 3.61Å; M494-W535 HydrophobicContact CG-CZ2 3.39Å; M494-W535 HydrophobicContact CG-CZ3 4.02Å; M494-W535 HydrophobicContact SD-CH2 4.14Å; M494-W535 HydrophobicContact SD-CZ2 4.37Å |
| 495 | K | 98.1 | Very high | 98.2 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.1 | -43.2 | 171.7 | -60.7 | 167.2 | -176.3 | 168.4 | 0 | 110.2 | E526 W535 T537 | K495-E526 WeakPolarHBondContact CB-OE2 3.48Å; K495-E526 WeakPolarHBondContact CG-OE2 3.33Å; K495-E526 PolarHBondContact N-OE2 2.98Å; K495-W535 WeakPolarHBondContact CE-O 3.48Å; K495-W535 PolarHBondContact NZ-O 3.11Å; K495-T537 HydrophobicContact CD-CG2 4.13Å |
| 496 | I | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 33% | 0.333 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -108 | 127.3 | -179.1 | -61.5 | 167.5 | 0 | 0 | 0 | 109.9 | T517 S524 E526 | I496-T517 HydrophobicContact CG2-CG2 4.02Å; I496-S524 VanDerWaalsContact CD1-OG 3.29Å; I496-S524 WeakPolarHBondContact CD1-OG 3.44Å; I496-E526 WeakPolarHBondContact CB-OE1 3.27Å; I496-E526 PolarHBondContact N-OE1 2.84Å |
| 497 | A | 98.7 | Very high | 98.3 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | trans | -75.9 | 127.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | C474 L475 K476 | C474-A497 HydrophobicContact CB-CB 3.94Å; C474-A497 WeakPolarHBondContact O-CB 3.5Å; L475-A497 WeakPolarHBondContact O-CA 3.49Å; K476-A497 HydrophobicContact CB-CB 4.13Å | ||
| 498 | R | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -148.5 | 152.1 | -169.7 | 60.1 | 179.9 | 82 | -142.2 | 6.5 | 113.3 | G467 L475 M494 F501 A514 V516 S524 E526 | G467-R498 PolarHBondContact N-O 2.97Å; L475-R498 PolarHBondContact O-N 3.23Å; M494-R498 HydrophobicContact CE-CG 3.7Å; M494-R498 HydrophobicContact SD-CG 3.94Å; R498-F501 HydrophobicContact CB-CD1 4.15Å; R498-F501 HydrophobicContact CB-CG 4.49Å; R498-F501 HydrophobicContact CG-CB 4.49Å; R498-F501 HydrophobicContact CG-CD1 3.65Å; R498-F501 HydrophobicContact CG-CD2 4.3Å; R498-F501 HydrophobicContact CG-CE1 3.86Å; R498-F501 HydrophobicContact CG-CE2 4.47Å; R498-F501 HydrophobicContact CG-CG 3.89Å; R498-F501 HydrophobicContact CG-CZ 4.25Å; R498-F501 WeakPolarHBondContact O-CE1 3.19Å; R498-A514 PolarHBondContact NH1-O 2.58Å; R498-V516 CarbonylContact C-O 3.54Å; R498-V516 WeakPolarHBondContact CA-O 3.41Å; R498-S524 PolarHBondContact NH1-O 3.05Å; R498-S524 PolarHBondContact NH1-OG 3.01Å; R498-S524 PolarHBondContact NH2-OG 3.04Å; R498-E526 IonicContact CZ-OE1 3.78Å; R498-E526 IonicContact NE-OE1 2.61Å; R498-E526 IonicContact NH2-OE1 2.88Å; R498-E526 PolarHBondContact NH2-OE1 2.77Å | ||
| 499 | S | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -141.9 | 155.8 | 175.3 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | G452 V516 | G452-S499 WeakPolarHBondContact O-CA 3.39Å; G452-S499 PolarHBondContact O-OG 2.87Å; S499-V516 PolarHBondContact N-O 3.18Å; S499-V516 WeakPolarHBondContact O-CB 3.33Å; S499-V516 PolarHBondContact O-N 2.99Å |
| 500 | L | 98.4 | Very high | 98.4 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 52.6 | 59.9 | -175.2 | -52.1 | 178.4 | 0 | 0 | 0 | 111.3 | L402 G452 G515 V516 S546 S547 | L402-L500 HydrophobicContact CD2-CD2 4.11Å; G452-L500 PolarHBondContact O-N 3.39Å; L500-G515 WeakPolarHBondContact O-CA 3.47Å; L500-V516 HydrophobicContact CB-CG2 4.26Å; L500-V516 HydrophobicContact CD1-CG2 4.25Å; L500-S546 CarbonylContact O-C 3.58Å; L500-S547 PolarHBondContact O-N 2.85Å |
| 501 | F | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | trans | -131.4 | 157.8 | -175.8 | 65.7 | -85.6 | 0 | 0 | 0 | 109.9 | A454 I465 R498 A503 V512 A514 | A454-F501 HydrophobicContact CB-CD2 4.41Å; A454-F501 HydrophobicContact CB-CE1 4.24Å; A454-F501 HydrophobicContact CB-CE2 3.65Å; A454-F501 HydrophobicContact CB-CZ 3.56Å; I465-F501 HydrophobicContact CB-CZ 4.06Å; I465-F501 HydrophobicContact CG2-CE2 4.33Å; I465-F501 HydrophobicContact CG2-CZ 3.93Å; I465-F501 VanDerWaalsContact O-CZ 3.27Å; I465-F501 WeakPolarHBondContact O-CZ 3.22Å; R498-F501 HydrophobicContact CB-CD1 4.15Å; R498-F501 HydrophobicContact CB-CG 4.49Å; R498-F501 HydrophobicContact CG-CB 4.49Å; R498-F501 HydrophobicContact CG-CD1 3.65Å; R498-F501 HydrophobicContact CG-CD2 4.3Å; R498-F501 HydrophobicContact CG-CE1 3.86Å; R498-F501 HydrophobicContact CG-CE2 4.47Å; R498-F501 HydrophobicContact CG-CG 3.89Å; R498-F501 HydrophobicContact CG-CZ 4.25Å; R498-F501 WeakPolarHBondContact O-CE1 3.19Å; F501-A503 HydrophobicContact CE2-CB 4.07Å; F501-V512 HydrophobicContact CD2-CB 3.85Å; F501-V512 HydrophobicContact CD2-CG1 4.21Å; F501-V512 HydrophobicContact CE2-CB 3.76Å; F501-V512 HydrophobicContact CE2-CG1 3.62Å; F501-A514 VanDerWaalsContact CB-O 3.3Å; F501-A514 WeakPolarHBondContact CB-O 3.2Å | ||
| 502 | G | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V512 A513 V548 L550 | G502-V512 CarbonylContact O-C 3.53Å; G502-V512 VanDerWaalsContact O-CA 3.31Å; G502-V512 WeakPolarHBondContact O-CA 3.5Å; G502-A513 PolarHBondContact N-O 2.88Å; G502-A513 VanDerWaalsContact N-O 3.16Å; G502-A513 PolarHBondContact O-N 2.95Å; G502-V548 WeakPolarHBondContact CA-O 3.15Å; G502-V548 PolarHBondContact N-O 2.87Å; G502-L550 WeakPolarHBondContact O-CD1 3.17Å |
| 503 | A | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A454 V456 F501 Y511 V512 | A454-A503 HydrophobicContact CB-CB 3.52Å; V456-A503 HydrophobicContact CG1-CB 3.86Å; F501-A503 HydrophobicContact CE2-CB 4.07Å; A503-Y511 WeakPolarHBondContact CA-O 3.45Å; A503-V512 HydrophobicContact CB-CG1 4.11Å |
| 504 | T | 98.7 | Very high | 98.4 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 162.6 | 173.6 | -154 | 0 | 0 | 0 | 0 | 111.3 | H506 I510 Y511 L550 L557 | T504-H506 HydrophobicContact CG2-CB 4.43Å; T504-I510 WeakPolarHBondContact O-CA 3.49Å; T504-Y511 PolarHBondContact N-O 3.01Å; T504-Y511 VanDerWaalsContact N-O 3.08Å; T504-Y511 PolarHBondContact O-N 3.15Å; T504-L550 WeakPolarHBondContact CB-O 3.43Å; T504-L550 HydrophobicContact CG2-CB 3.75Å; T504-L550 HydrophobicContact CG2-CD1 4.46Å; T504-L550 PolarHBondContact OG1-O 2.96Å; T504-L557 HydrophobicContact CG2-CD1 3.49Å; T504-L557 VanDerWaalsContact CG2-CD1 3.49Å |
| 505 | V | 98.6 | Very high | 98.4 | Very high | 28 Ų | 28 | 30 Ų | 30 | 17% | 0.17 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.6 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | V456 H458 K509 I510 S552 | V456-V505 HydrophobicContact CB-CG2 4.21Å; V456-V505 HydrophobicContact CG2-CG2 4.24Å; H458-V505 HydrophobicContact CB-CG2 4.06Å; V505-K509 CarbonylContact C-O 3.56Å; V505-K509 WeakPolarHBondContact CA-O 3.49Å; V505-I510 HydrophobicContact CG2-CG1 4.23Å; V505-S552 VanDerWaalsContact O-CB 3.26Å; V505-S552 WeakPolarHBondContact O-CB 3.39Å |
| 506 | H | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.2 | 177.7 | -178.4 | 73.9 | 0 | 0 | 0 | 108.6 | T504 D508 K509 Y511 S552 G555 L557 | T504-H506 HydrophobicContact CG2-CB 4.43Å; H506-D508 VanDerWaalsContact C-N 3.34Å; H506-D508 PolarHBondContact O-N 3.18Å; H506-K509 PolarHBondContact N-O 2.91Å; H506-K509 PolarHBondContact O-N 2.8Å; H506-K509 VanDerWaalsContact O-O 3.1Å; H506-Y511 HydrophobicContact CB-CD2 3.75Å; H506-Y511 HydrophobicContact CB-CE2 3.74Å; H506-Y511 AromaticContact CD2-CE2 3.92Å; H506-Y511 WeakPolarHBondContact O-CE2 3.36Å; H506-S552 PolarHBondContact ND1-OG 3.07Å; H506-G555 PolarHBondContact CE1-O 3.15Å; H506-L557 HydrophobicContact CB-CD1 4.38Å |
| 507 | N | 95.9 | Very high | 98.4 | Very high | 106 Ų | 106 | 23.9 Ų | 23.9 | 57% | 0.567 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 50.8 | 179.8 | -65.1 | -28.5 | 0 | 0 | 0 | 114.2 | K509 | N507-K509 PolarHBondContact O-N 3.16Š|
| 508 | D | 97.1 | Very high | 98.4 | Very high | 79 Ų | 79 | 27.2 Ų | 27.2 | 42% | 0.422 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 15.6 | -179 | -92.5 | -13.9 | 0 | 0 | 0 | 115.9 | H458 K459 H506 I530 | H458-D508 IonicContact CE1-OD1 3.72Å; H458-D508 PolarHBondContact CE1-OD1 2.99Å; H458-D508 WeakPolarHBondContact NE2-CA 3.5Å; H458-D508 WeakPolarHBondContact NE2-CB 3.31Å; H458-D508 IonicContact NE2-OD1 2.88Å; H458-D508 PolarHBondContact NE2-OD1 2.89Å; H458-D508 IonicContact NE2-OD2 3.02Å; K459-D508 VanDerWaalsContact CE-OD1 3.24Å; K459-D508 WeakPolarHBondContact CE-OD1 3.25Å; K459-D508 IonicContact NZ-OD1 2.62Å; K459-D508 PolarHBondContact NZ-OD1 3.43Å; K459-D508 IonicContact NZ-OD2 3.85Å; K459-D508 PolarHBondContact NZ-OD2 3.08Å; H506-D508 VanDerWaalsContact C-N 3.34Å; H506-D508 PolarHBondContact O-N 3.18Å; D508-I530 WeakPolarHBondContact O-CD1 3.33Å |
| 509 | K | 98.6 | Very high | 98.2 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 30% | 0.304 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 155.4 | 174.7 | -56.6 | -166.4 | -169.1 | -147.3 | 0 | 111.4 | V505 H506 N507 Y511 V527 Y528 D529 | V505-K509 CarbonylContact C-O 3.56Å; V505-K509 WeakPolarHBondContact CA-O 3.49Å; H506-K509 PolarHBondContact N-O 2.91Å; H506-K509 PolarHBondContact O-N 2.8Å; H506-K509 VanDerWaalsContact O-O 3.1Å; N507-K509 PolarHBondContact O-N 3.16Å; K509-Y511 HydrophobicContact CB-CD2 4.4Å; K509-Y511 HydrophobicContact CB-CE2 3.89Å; K509-V527 HydrophobicContact CB-CG2 3.78Å; K509-V527 HydrophobicContact CD-CG2 3.89Å; K509-V527 HydrophobicContact CG-CG2 4.48Å; K509-Y528 WeakPolarHBondContact CA-O 3.47Å; K509-Y528 WeakPolarHBondContact CB-O 3.37Å; K509-D529 HydrophobicContact CD-CB 4.38Å; K509-D529 VanDerWaalsContact CE-OD2 3.3Å; K509-D529 WeakPolarHBondContact CE-OD2 3.36Å; K509-D529 IonicContact NZ-OD2 2.68Å; K509-D529 PolarHBondContact NZ-OD2 2.8Å |
| 510 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.3 | 175.3 | -57.5 | 171.4 | 0 | 0 | 0 | 108.6 | V456 Y463 I465 T504 V505 V512 V527 Y528 I530 | V456-I510 HydrophobicContact CG2-CD1 3.8Å; V456-I510 HydrophobicContact CG2-CG1 4.09Å; V456-I510 HydrophobicContact CG2-CG2 3.99Å; Y463-I510 HydrophobicContact CD1-CD1 3.67Å; Y463-I510 HydrophobicContact CD2-CD1 4.18Å; Y463-I510 HydrophobicContact CE1-CD1 4.07Å; Y463-I510 HydrophobicContact CG-CD1 3.74Å; I465-I510 HydrophobicContact CD1-CG2 3.64Å; T504-I510 WeakPolarHBondContact O-CA 3.49Å; V505-I510 HydrophobicContact CG2-CG1 4.23Å; I510-V512 HydrophobicContact CG2-CG1 4.49Å; I510-V527 CarbonylContact O-C 3.6Å; I510-V527 WeakPolarHBondContact O-CA 3.45Å; I510-Y528 HydrophobicContact CB-CD1 4.34Å; I510-Y528 HydrophobicContact CD1-CD1 3.99Å; I510-Y528 HydrophobicContact CD1-CE1 4.45Å; I510-Y528 HydrophobicContact CG1-CD1 4.32Å; I510-Y528 PolarHBondContact N-O 2.88Å; I510-Y528 PolarHBondContact O-N 2.79Å; I510-I530 HydrophobicContact CD1-CD1 4.27Å; I510-I530 HydrophobicContact CD1-CG1 4.33Å; I510-I530 HydrophobicContact CG1-CD1 3.92Å; I510-I530 HydrophobicContact CG1-CG1 4.12Å |
| 511 | Y | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.2 | 175.9 | -72.7 | -110.3 | 0 | 0 | 0 | 109.3 | A503 T504 H506 K509 V527 F538 L557 | A503-Y511 WeakPolarHBondContact CA-O 3.45Å; T504-Y511 PolarHBondContact N-O 3.01Å; T504-Y511 VanDerWaalsContact N-O 3.08Å; T504-Y511 PolarHBondContact O-N 3.15Å; H506-Y511 HydrophobicContact CB-CD2 3.75Å; H506-Y511 HydrophobicContact CB-CE2 3.74Å; H506-Y511 AromaticContact CD2-CE2 3.92Å; H506-Y511 WeakPolarHBondContact O-CE2 3.36Å; K509-Y511 HydrophobicContact CB-CD2 4.4Å; K509-Y511 HydrophobicContact CB-CE2 3.89Å; Y511-V527 HydrophobicContact CD1-CB 4.14Å; Y511-V527 HydrophobicContact CD1-CG2 4.12Å; Y511-V527 HydrophobicContact CD2-CG2 3.95Å; Y511-V527 HydrophobicContact CE1-CB 4.09Å; Y511-V527 HydrophobicContact CE1-CG2 3.87Å; Y511-V527 HydrophobicContact CE2-CG2 3.66Å; Y511-V527 HydrophobicContact CG-CB 4.49Å; Y511-V527 HydrophobicContact CG-CG2 4.17Å; Y511-F538 HydrophobicContact CD1-CE1 4.45Å; Y511-F538 HydrophobicContact CD1-CZ 4.44Å; Y511-F538 HydrophobicContact CE1-CD1 4.4Å; Y511-F538 AromaticContact CE1-CD2 3.92Å; Y511-F538 HydrophobicContact CE1-CD2 3.92Å; Y511-F538 HydrophobicContact CE1-CE1 4.09Å; Y511-F538 AromaticContact CE1-CE2 3.6Å; Y511-F538 HydrophobicContact CE1-CE2 3.6Å; Y511-F538 HydrophobicContact CE1-CG 4.29Å; Y511-F538 AromaticContact CE1-CZ 3.64Å; Y511-F538 HydrophobicContact CE1-CZ 3.64Å; Y511-L557 HydrophobicContact CD1-CD2 3.73Å; Y511-L557 HydrophobicContact CE1-CD2 4.07Å; Y511-L557 HydrophobicContact CG-CD2 4.15Å |
| 512 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.1 | 171.9 | -54.7 | 0 | 0 | 0 | 0 | 109.8 | I465 M494 F501 G502 A503 I510 V525 E526 W535 | I465-V512 HydrophobicContact CD1-CG1 4.49Å; I465-V512 HydrophobicContact CG2-CG1 4.3Å; M494-V512 HydrophobicContact SD-CG1 4.43Å; M494-V512 HydrophobicContact SD-CG2 3.89Å; F501-V512 HydrophobicContact CD2-CB 3.85Å; F501-V512 HydrophobicContact CD2-CG1 4.21Å; F501-V512 HydrophobicContact CE2-CB 3.76Å; F501-V512 HydrophobicContact CE2-CG1 3.62Å; G502-V512 CarbonylContact O-C 3.53Å; G502-V512 VanDerWaalsContact O-CA 3.31Å; G502-V512 WeakPolarHBondContact O-CA 3.5Å; A503-V512 HydrophobicContact CB-CG1 4.11Å; I510-V512 HydrophobicContact CG2-CG1 4.49Å; V512-V525 WeakPolarHBondContact O-CA 3.29Å; V512-V525 WeakPolarHBondContact O-CG1 3.29Å; V512-E526 HydrophobicContact CG2-CB 3.81Å; V512-E526 PolarHBondContact N-O 2.86Å; V512-E526 PolarHBondContact O-N 2.78Å; V512-W535 HydrophobicContact CG1-CH2 3.79Å; V512-W535 HydrophobicContact CG1-CZ3 4.08Å; V512-W535 HydrophobicContact CG2-CH2 4.11Å; V512-W535 HydrophobicContact CG2-CZ3 3.71Å |
| 513 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G502 V525 V548 L550 L559 | G502-A513 PolarHBondContact N-O 2.88Å; G502-A513 VanDerWaalsContact N-O 3.16Å; G502-A513 PolarHBondContact O-N 2.95Å; A513-V525 HydrophobicContact CB-CG1 4.25Å; A513-V525 HydrophobicContact CB-CG2 3.9Å; A513-V548 WeakPolarHBondContact O-CG2 3.4Å; A513-L550 HydrophobicContact CB-CD1 3.8Å; A513-L550 HydrophobicContact CB-CD2 3.95Å; A513-L550 HydrophobicContact CB-CG 4.07Å; A513-L559 HydrophobicContact CB-CD1 3.87Å |
| 514 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | -158.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R498 F501 T522 S524 R545 V548 | R498-A514 PolarHBondContact NH1-O 2.58Å; F501-A514 VanDerWaalsContact CB-O 3.3Å; F501-A514 WeakPolarHBondContact CB-O 3.2Å; A514-T522 WeakPolarHBondContact CA-O 3.45Å; A514-T522 VanDerWaalsContact CB-O 3.3Å; A514-T522 WeakPolarHBondContact CB-O 3.35Å; A514-S524 PolarHBondContact N-O 2.86Å; A514-R545 HydrophobicContact CB-CB 4.24Å; A514-R545 WeakPolarHBondContact CB-O 3.39Å; A514-V548 HydrophobicContact CB-CG1 4.13Å; A514-V548 HydrophobicContact CB-CG2 3.98Å |
| 515 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.3 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L500 L521 T522 R545 | L500-G515 WeakPolarHBondContact O-CA 3.47Å; G515-L521 CarbonylContact O-C 3.56Å; G515-L521 WeakPolarHBondContact O-CA 3.2Å; G515-T522 PolarHBondContact N-O 2.91Å; G515-T522 PolarHBondContact O-N 2.56Å; G515-R545 CarbonylContact C-O 3.59Å; G515-R545 WeakPolarHBondContact CA-O 3.25Å; G515-R545 PolarHBondContact N-O 2.93Å |
| 516 | V | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128 | 166.3 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | C474 R498 S499 L500 L521 | C474-V516 PolarHBondContact SG-O 2.84Å; R498-V516 CarbonylContact C-O 3.54Å; R498-V516 WeakPolarHBondContact CA-O 3.41Å; S499-V516 PolarHBondContact N-O 3.18Å; S499-V516 WeakPolarHBondContact O-CB 3.33Å; S499-V516 PolarHBondContact O-N 2.99Å; L500-V516 HydrophobicContact CB-CG2 4.26Å; L500-V516 HydrophobicContact CD1-CG2 4.25Å; V516-L521 HydrophobicContact CG2-CD2 4.07Å |
| 517 | T | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 176.5 | 169.8 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | I496 S519 G520 T522 | I496-T517 HydrophobicContact CG2-CG2 4.02Å; T517-S519 PolarHBondContact O-N 3.43Å; T517-S519 PolarHBondContact OG1-N 2.91Å; T517-S519 PolarHBondContact OG1-OG 3.11Å; T517-S519 VanDerWaalsContact OG1-OG 3.06Å; T517-G520 PolarHBondContact N-O 2.86Å; T517-G520 PolarHBondContact OG1-N 3.3Å; T517-G520 PolarHBondContact OG1-O 3.17Å; T517-T522 HydrophobicContact CG2-CG2 3.81Å |
| 518 | D | 97.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 28.6 Ų | 28.6 | 54% | 0.54 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.6 | 172.8 | -71.3 | -11.1 | 0 | 0 | 0 | 113.1 | C474 | C474-D518 PolarHBondContact N-OD1 3.43Å; C474-D518 PolarHBondContact SG-OD1 3.49Å |
| 519 | S | 95.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 26.4 Ų | 26.4 | 83% | 0.832 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -6.4 | -178 | 43.5 | 0 | 0 | 0 | 0 | 115.1 | T517 | T517-S519 PolarHBondContact O-N 3.43Å; T517-S519 PolarHBondContact OG1-N 2.91Å; T517-S519 PolarHBondContact OG1-OG 3.11Å; T517-S519 VanDerWaalsContact OG1-OG 3.06Å |
| 520 | G | 95.8 | Very high | 98.2 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 38% | 0.381 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | -154.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T517 | T517-G520 PolarHBondContact N-O 2.86Å; T517-G520 PolarHBondContact OG1-N 3.3Å; T517-G520 PolarHBondContact OG1-O 3.17Å |
| 521 | L | 97.8 | Very high | 98.2 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 171.9 | 171.4 | -60.9 | -179.6 | 0 | 0 | 0 | 110.6 | G515 V516 E544 | G515-L521 CarbonylContact O-C 3.56Å; G515-L521 WeakPolarHBondContact O-CA 3.2Å; V516-L521 HydrophobicContact CG2-CD2 4.07Å; L521-E544 HydrophobicContact CB-CB 3.68Å |
| 522 | T | 98.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.1 | 166 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | A514 G515 T517 S524 R545 | A514-T522 WeakPolarHBondContact CA-O 3.45Å; A514-T522 VanDerWaalsContact CB-O 3.3Å; A514-T522 WeakPolarHBondContact CB-O 3.35Å; G515-T522 PolarHBondContact N-O 2.91Å; G515-T522 PolarHBondContact O-N 2.56Å; T517-T522 HydrophobicContact CG2-CG2 3.81Å; T522-S524 WeakPolarHBondContact OG1-CB 3.35Å; T522-S524 PolarHBondContact OG1-N 2.88Å; T522-S524 VanDerWaalsContact OG1-N 3.15Å; T522-S524 PolarHBondContact OG1-OG 3.37Å; T522-R545 PolarHBondContact O-N 3.04Å |
| 523 | N | 98.3 | Very high | 98.1 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -1.8 | 169.4 | 70.2 | -31.9 | 0 | 0 | 0 | 112.5 | F541 Q543 E544 | N523-F541 VanDerWaalsContact CB-O 3.29Å; N523-F541 WeakPolarHBondContact CB-O 3.34Å; N523-F541 PolarHBondContact ND2-O 2.81Å; N523-F541 WeakPolarHBondContact O-CB 3.46Å; N523-F541 PolarHBondContact O-N 3.09Å; N523-Q543 VanDerWaalsContact CB-O 3.24Å; N523-Q543 WeakPolarHBondContact CB-O 3.38Å; N523-E544 HydrophobicContact CB-CB 4.5Å; N523-E544 HydrophobicContact CB-CG 4.02Å |
| 524 | S | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 142 | -171 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | I496 R498 A514 T522 D540 | I496-S524 VanDerWaalsContact CD1-OG 3.29Å; I496-S524 WeakPolarHBondContact CD1-OG 3.44Å; R498-S524 PolarHBondContact NH1-O 3.05Å; R498-S524 PolarHBondContact NH1-OG 3.01Å; R498-S524 PolarHBondContact NH2-OG 3.04Å; A514-S524 PolarHBondContact N-O 2.86Å; T522-S524 WeakPolarHBondContact OG1-CB 3.35Å; T522-S524 PolarHBondContact OG1-N 2.88Å; T522-S524 VanDerWaalsContact OG1-N 3.15Å; T522-S524 PolarHBondContact OG1-OG 3.37Å; S524-D540 VanDerWaalsContact CA-OD1 3.3Å; S524-D540 WeakPolarHBondContact CA-OD1 3.39Å |
| 525 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.5 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | V512 A513 F538 T539 D540 F541 W591 | V512-V525 WeakPolarHBondContact O-CA 3.29Å; V512-V525 WeakPolarHBondContact O-CG1 3.29Å; A513-V525 HydrophobicContact CB-CG1 4.25Å; A513-V525 HydrophobicContact CB-CG2 3.9Å; V525-F538 HydrophobicContact CB-CB 3.99Å; V525-F538 HydrophobicContact CB-CD1 4.2Å; V525-F538 HydrophobicContact CG1-CB 3.81Å; V525-F538 HydrophobicContact CG1-CD1 3.69Å; V525-F538 HydrophobicContact CG1-CG 4.14Å; V525-F538 PolarHBondContact O-N 2.93Å; V525-T539 WeakPolarHBondContact CG2-O 3.47Å; V525-D540 PolarHBondContact N-OD1 2.95Å; V525-F541 HydrophobicContact CG2-CB 4.29Å; V525-W591 HydrophobicContact CG2-CZ2 4.37Å |
| 526 | E | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.1 | 176 | -60.9 | -178.8 | -116.8 | 0 | 0 | 110 | K495 I496 R498 V512 W535 D536 | K495-E526 WeakPolarHBondContact CB-OE2 3.48Å; K495-E526 WeakPolarHBondContact CG-OE2 3.33Å; K495-E526 PolarHBondContact N-OE2 2.98Å; I496-E526 WeakPolarHBondContact CB-OE1 3.27Å; I496-E526 PolarHBondContact N-OE1 2.84Å; R498-E526 IonicContact CZ-OE1 3.78Å; R498-E526 IonicContact NE-OE1 2.61Å; R498-E526 IonicContact NH2-OE1 2.88Å; R498-E526 PolarHBondContact NH2-OE1 2.77Å; V512-E526 HydrophobicContact CG2-CB 3.81Å; V512-E526 PolarHBondContact N-O 2.86Å; V512-E526 PolarHBondContact O-N 2.78Å; E526-W535 HydrophobicContact CB-CE3 3.72Å; E526-W535 HydrophobicContact CB-CZ3 3.97Å; E526-D536 WeakPolarHBondContact CA-O 3.41Å |
| 527 | V | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.3 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | K509 I510 Y511 W535 D536 F538 | K509-V527 HydrophobicContact CB-CG2 3.78Å; K509-V527 HydrophobicContact CD-CG2 3.89Å; K509-V527 HydrophobicContact CG-CG2 4.48Å; I510-V527 CarbonylContact O-C 3.6Å; I510-V527 WeakPolarHBondContact O-CA 3.45Å; Y511-V527 HydrophobicContact CD1-CB 4.14Å; Y511-V527 HydrophobicContact CD1-CG2 4.12Å; Y511-V527 HydrophobicContact CD2-CG2 3.95Å; Y511-V527 HydrophobicContact CE1-CB 4.09Å; Y511-V527 HydrophobicContact CE1-CG2 3.87Å; Y511-V527 HydrophobicContact CE2-CG2 3.66Å; Y511-V527 HydrophobicContact CG-CB 4.49Å; Y511-V527 HydrophobicContact CG-CG2 4.17Å; V527-W535 WeakPolarHBondContact O-CA 3Å; V527-D536 HydrophobicContact CG1-CB 4.03Å; V527-D536 PolarHBondContact N-O 3.49Å; V527-D536 PolarHBondContact O-N 3.3Å; V527-F538 HydrophobicContact CG1-CD2 4.4Å |
| 528 | Y | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.8 | 175.8 | 174.3 | -105.3 | 0 | 0 | 0 | 111 | M478 A492 K509 I510 I530 N533 K534 W535 | M478-Y528 HydrophobicContact CE-CD1 3.76Å; M478-Y528 HydrophobicContact CE-CD2 3.51Å; M478-Y528 HydrophobicContact CE-CE1 3.63Å; M478-Y528 HydrophobicContact CE-CE2 3.38Å; M478-Y528 HydrophobicContact CE-CG 3.69Å; M478-Y528 VanDerWaalsContact CE-CZ 3.45Å; M478-Y528 HydrophobicContact SD-CD1 4.43Å; M478-Y528 HydrophobicContact SD-CE1 4.5Å; A492-Y528 HydrophobicContact CB-CE2 4.41Å; K509-Y528 WeakPolarHBondContact CA-O 3.47Å; K509-Y528 WeakPolarHBondContact CB-O 3.37Å; I510-Y528 HydrophobicContact CB-CD1 4.34Å; I510-Y528 HydrophobicContact CD1-CD1 3.99Å; I510-Y528 HydrophobicContact CD1-CE1 4.45Å; I510-Y528 HydrophobicContact CG1-CD1 4.32Å; I510-Y528 PolarHBondContact N-O 2.88Å; I510-Y528 PolarHBondContact O-N 2.79Å; Y528-I530 HydrophobicContact CD1-CG1 3.93Å; Y528-I530 HydrophobicContact CE1-CB 4.22Å; Y528-I530 HydrophobicContact CE1-CG1 3.93Å; Y528-I530 PolarHBondContact O-N 2.87Å; Y528-N533 HydrophobicContact CE2-CB 4.47Å; Y528-N533 WeakPolarHBondContact OH-CA 3.23Å; Y528-N533 PolarHBondContact OH-OD1 2.91Å; Y528-K534 WeakPolarHBondContact CA-O 3.45Å; Y528-K534 WeakPolarHBondContact CD2-O 3.46Å; Y528-W535 AromaticContact CD2-CD1 3.82Å; Y528-W535 HydrophobicContact CD2-CD2 4.09Å; Y528-W535 AromaticContact CD2-CE2 3.77Å; Y528-W535 HydrophobicContact CD2-CG 4.14Å; Y528-W535 HydrophobicContact CD2-CZ2 4.31Å; Y528-W535 AromaticContact CD2-NE1 3.57Å; Y528-W535 HydrophobicContact CG-CD2 4.34Å; Y528-W535 HydrophobicContact CG-CZ2 4.16Å |
| 529 | D | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 107.5 | 173.6 | -174.9 | -70.9 | 0 | 0 | 0 | 109.6 | K509 A531 S532 N533 K534 | K509-D529 HydrophobicContact CD-CB 4.38Å; K509-D529 VanDerWaalsContact CE-OD2 3.3Å; K509-D529 WeakPolarHBondContact CE-OD2 3.36Å; K509-D529 IonicContact NZ-OD2 2.68Å; K509-D529 PolarHBondContact NZ-OD2 2.8Å; D529-A531 VanDerWaalsContact C-N 3.28Å; D529-A531 PolarHBondContact O-N 2.97Å; D529-A531 PolarHBondContact OD1-N 2.91Å; D529-S532 WeakPolarHBondContact CB-OG 3.1Å; D529-S532 PolarHBondContact O-N 3.36Å; D529-S532 WeakPolarHBondContact OD1-CB 3.33Å; D529-S532 PolarHBondContact OD1-N 2.81Å; D529-S532 PolarHBondContact OD1-OG 2.79Å; D529-N533 PolarHBondContact O-N 2.98Å; D529-K534 PolarHBondContact N-O 2.77Å |
| 530 | I | 98.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -36.2 | -173.7 | -56.8 | 177.8 | 0 | 0 | 0 | 111.6 | H458 Y463 D508 I510 Y528 | H458-I530 HydrophobicContact CB-CD1 4.5Å; H458-I530 WeakPolarHBondContact CD2-CD1 3.3Å; Y463-I530 WeakPolarHBondContact OH-CG2 3.46Å; D508-I530 WeakPolarHBondContact O-CD1 3.33Å; I510-I530 HydrophobicContact CD1-CD1 4.27Å; I510-I530 HydrophobicContact CD1-CG1 4.33Å; I510-I530 HydrophobicContact CG1-CD1 3.92Å; I510-I530 HydrophobicContact CG1-CG1 4.12Å; Y528-I530 HydrophobicContact CD1-CG1 3.93Å; Y528-I530 HydrophobicContact CE1-CB 4.22Å; Y528-I530 HydrophobicContact CE1-CG1 3.93Å; Y528-I530 PolarHBondContact O-N 2.87Å |
| 531 | A | 97.8 | Very high | 98.4 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 86% | 0.86 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -36.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D529 | D529-A531 VanDerWaalsContact C-N 3.28Å; D529-A531 PolarHBondContact O-N 2.97Å; D529-A531 PolarHBondContact OD1-N 2.91Å |
| 532 | S | 98.1 | Very high | 98.4 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9.1 | -178.2 | 65.5 | 0 | 0 | 0 | 0 | 114.9 | D529 | D529-S532 WeakPolarHBondContact CB-OG 3.1Å; D529-S532 PolarHBondContact O-N 3.36Å; D529-S532 WeakPolarHBondContact OD1-CB 3.33Å; D529-S532 PolarHBondContact OD1-N 2.81Å; D529-S532 PolarHBondContact OD1-OG 2.79Å |
| 533 | N | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 54.3 | -175.7 | -179.1 | 36 | 0 | 0 | 0 | 112.2 | A492 Y528 D529 | A492-N533 VanDerWaalsContact CB-O 3.31Å; A492-N533 WeakPolarHBondContact CB-O 3.38Å; A492-N533 WeakPolarHBondContact CB-OD1 3.18Å; A492-N533 PolarHBondContact N-OD1 3.47Å; Y528-N533 HydrophobicContact CE2-CB 4.47Å; Y528-N533 WeakPolarHBondContact OH-CA 3.23Å; Y528-N533 PolarHBondContact OH-OD1 2.91Å; D529-N533 PolarHBondContact O-N 2.98Å |
| 534 | K | 98.6 | Very high | 98.3 | Very high | 130 Ų | 130 | 52.1 Ų | 52.1 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.5 | -176.4 | -71.1 | 179.2 | -177 | 179 | 0 | 112.7 | Y528 D529 | Y528-K534 WeakPolarHBondContact CA-O 3.45Å; Y528-K534 WeakPolarHBondContact CD2-O 3.46Å; D529-K534 PolarHBondContact N-O 2.77Å |
| 535 | W | 98.8 | Very high | 98.3 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.9 | 174.7 | -73 | 94.7 | 0 | 0 | 0 | 111.8 | I465 M478 A492 P493 M494 K495 V512 E526 V527 Y528 | I465-W535 HydrophobicContact CG2-CH2 4.34Å; I465-W535 HydrophobicContact CG2-CZ2 4.36Å; M478-W535 HydrophobicContact CE-CZ2 3.7Å; M478-W535 HydrophobicContact SD-CZ2 3.87Å; A492-W535 PolarHBondContact O-NE1 2.94Å; P493-W535 VanDerWaalsContact C-CD1 3.4Å; M494-W535 HydrophobicContact CG-CD2 4.05Å; M494-W535 HydrophobicContact CG-CE3 4.22Å; M494-W535 HydrophobicContact CG-CH2 3.61Å; M494-W535 HydrophobicContact CG-CZ2 3.39Å; M494-W535 HydrophobicContact CG-CZ3 4.02Å; M494-W535 HydrophobicContact SD-CH2 4.14Å; M494-W535 HydrophobicContact SD-CZ2 4.37Å; K495-W535 WeakPolarHBondContact CE-O 3.48Å; K495-W535 PolarHBondContact NZ-O 3.11Å; V512-W535 HydrophobicContact CG1-CH2 3.79Å; V512-W535 HydrophobicContact CG1-CZ3 4.08Å; V512-W535 HydrophobicContact CG2-CH2 4.11Å; V512-W535 HydrophobicContact CG2-CZ3 3.71Å; E526-W535 HydrophobicContact CB-CE3 3.72Å; E526-W535 HydrophobicContact CB-CZ3 3.97Å; V527-W535 WeakPolarHBondContact O-CA 3Å; Y528-W535 AromaticContact CD2-CD1 3.82Å; Y528-W535 HydrophobicContact CD2-CD2 4.09Å; Y528-W535 AromaticContact CD2-CE2 3.77Å; Y528-W535 HydrophobicContact CD2-CG 4.14Å; Y528-W535 HydrophobicContact CD2-CZ2 4.31Å; Y528-W535 AromaticContact CD2-NE1 3.57Å; Y528-W535 HydrophobicContact CG-CD2 4.34Å; Y528-W535 HydrophobicContact CG-CZ2 4.16Å |
| 536 | D | 98.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 154 | 172.3 | -74.5 | -54.6 | 0 | 0 | 0 | 111.2 | E526 V527 | E526-D536 WeakPolarHBondContact CA-O 3.41Å; V527-D536 HydrophobicContact CG1-CB 4.03Å; V527-D536 PolarHBondContact N-O 3.49Å; V527-D536 PolarHBondContact O-N 3.3Å |
| 537 | T | 98.1 | Very high | 98.2 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 64% | 0.638 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 142.1 | 172.8 | 39.2 | 0 | 0 | 0 | 0 | 109.4 | K495 | K495-T537 HydrophobicContact CD-CG2 4.13Å |
| 538 | F | 98.4 | Very high | 98.1 | Very high | 37 Ų | 37 | 54.4 Ų | 54.4 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | trans | -114.9 | -178.5 | 176.6 | -162.9 | -108.2 | 0 | 0 | 0 | 110.4 | Y511 V525 V527 D540 Y584 | Y511-F538 HydrophobicContact CD1-CE1 4.45Å; Y511-F538 HydrophobicContact CD1-CZ 4.44Å; Y511-F538 HydrophobicContact CE1-CD1 4.4Å; Y511-F538 AromaticContact CE1-CD2 3.92Å; Y511-F538 HydrophobicContact CE1-CD2 3.92Å; Y511-F538 HydrophobicContact CE1-CE1 4.09Å; Y511-F538 AromaticContact CE1-CE2 3.6Å; Y511-F538 HydrophobicContact CE1-CE2 3.6Å; Y511-F538 HydrophobicContact CE1-CG 4.29Å; Y511-F538 AromaticContact CE1-CZ 3.64Å; Y511-F538 HydrophobicContact CE1-CZ 3.64Å; V525-F538 HydrophobicContact CB-CB 3.99Å; V525-F538 HydrophobicContact CB-CD1 4.2Å; V525-F538 HydrophobicContact CG1-CB 3.81Å; V525-F538 HydrophobicContact CG1-CD1 3.69Å; V525-F538 HydrophobicContact CG1-CG 4.14Å; V525-F538 PolarHBondContact O-N 2.93Å; V527-F538 HydrophobicContact CG1-CD2 4.4Å; F538-D540 PolarHBondContact O-N 2.79Å; F538-Y584 HydrophobicContact CD1-CE2 4.37Å; F538-Y584 HydrophobicContact CE1-CD1 4.01Å; F538-Y584 AromaticContact CE1-CD2 3.77Å; F538-Y584 HydrophobicContact CE1-CD2 3.77Å; F538-Y584 AromaticContact CE1-CE1 3.74Å; F538-Y584 HydrophobicContact CE1-CE1 3.74Å; F538-Y584 AromaticContact CE1-CE2 3.48Å; F538-Y584 HydrophobicContact CE1-CE2 3.48Å; F538-Y584 VanDerWaalsContact CE1-CE2 3.48Å; F538-Y584 AromaticContact CE1-CG 4Å; F538-Y584 HydrophobicContact CE1-CG 4Å; F538-Y584 AromaticContact CE1-CZ 3.43Å; F538-Y584 VanDerWaalsContact CE1-CZ 3.43Å; F538-Y584 HydrophobicContact CE2-CE1 4.12Å; F538-Y584 AromaticContact CZ-CD1 3.68Å; F538-Y584 HydrophobicContact CZ-CD1 3.68Å; F538-Y584 HydrophobicContact CZ-CD2 4.24Å; F538-Y584 AromaticContact CZ-CE1 3.19Å; F538-Y584 HydrophobicContact CZ-CE1 3.19Å; F538-Y584 AromaticContact CZ-CE2 3.83Å; F538-Y584 HydrophobicContact CZ-CE2 3.83Å; F538-Y584 HydrophobicContact CZ-CG 4.15Å; F538-Y584 AromaticContact CZ-CZ 3.24Å; F538-Y584 WeakPolarHBondContact CZ-OH 3.47Å | ||
| 539 | T | 98.4 | Very high | 98.1 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 117.7 | 173 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | V525 Y584 K589 W591 | V525-T539 WeakPolarHBondContact CG2-O 3.47Å; T539-Y584 HydrophobicContact CG2-CE2 4.38Å; T539-Y584 PolarHBondContact OG1-OH 2.81Å; T539-K589 WeakPolarHBondContact CG2-O 3.35Å; T539-K589 PolarHBondContact OG1-O 3.1Å; T539-W591 PolarHBondContact O-NE1 2.78Å |
| 540 | D | 98.6 | Very high | 98 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 146.6 | 176.9 | -63.5 | -34 | 0 | 0 | 0 | 111.8 | S524 V525 F538 | S524-D540 VanDerWaalsContact CA-OD1 3.3Å; S524-D540 WeakPolarHBondContact CA-OD1 3.39Å; V525-D540 PolarHBondContact N-OD1 2.95Å; F538-D540 PolarHBondContact O-N 2.79Å |
| 541 | F | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 149.5 | 177.4 | -173.6 | -118.2 | 0 | 0 | 0 | 110.4 | N523 V525 Q543 R545 L559 W582 W591 | N523-F541 VanDerWaalsContact CB-O 3.29Å; N523-F541 WeakPolarHBondContact CB-O 3.34Å; N523-F541 PolarHBondContact ND2-O 2.81Å; N523-F541 WeakPolarHBondContact O-CB 3.46Å; N523-F541 PolarHBondContact O-N 3.09Å; V525-F541 HydrophobicContact CG2-CB 4.29Å; F541-Q543 WeakPolarHBondContact CD1-O 3.17Å; F541-Q543 HydrophobicContact CE1-CB 4.23Å; F541-Q543 PolarHBondContact O-N 3.02Å; F541-Q543 VanDerWaalsContact O-N 3.08Å; F541-R545 HydrophobicContact CE1-CG 4.39Å; F541-L559 HydrophobicContact CB-CD1 4.43Å; F541-L559 HydrophobicContact CD1-CD1 4.11Å; F541-L559 HydrophobicContact CD1-CD2 4.43Å; F541-L559 HydrophobicContact CD2-CD1 3.68Å; F541-L559 HydrophobicContact CD2-CD2 4.38Å; F541-L559 HydrophobicContact CD2-CG 4.49Å; F541-L559 HydrophobicContact CE1-CD1 4.38Å; F541-L559 HydrophobicContact CE1-CD2 3.9Å; F541-L559 HydrophobicContact CE2-CB 4.42Å; F541-L559 HydrophobicContact CE2-CD1 3.96Å; F541-L559 HydrophobicContact CE2-CD2 3.82Å; F541-L559 HydrophobicContact CE2-CG 4.29Å; F541-L559 HydrophobicContact CG-CD1 3.81Å; F541-L559 HydrophobicContact CZ-CD1 4.33Å; F541-L559 HydrophobicContact CZ-CD2 3.58Å; F541-L559 HydrophobicContact CZ-CG 4.5Å; F541-W582 HydrophobicContact CE2-CB 3.93Å; F541-W582 AromaticContact CE2-CD1 3.93Å; F541-W582 AromaticContact CE2-CD2 3.78Å; F541-W582 HydrophobicContact CE2-CD2 3.78Å; F541-W582 HydrophobicContact CE2-CE3 4.27Å; F541-W582 AromaticContact CE2-CG 3.6Å; F541-W582 HydrophobicContact CE2-CG 3.6Å; F541-W582 AromaticContact CZ-CD1 3.71Å; F541-W582 HydrophobicContact CZ-CD2 4.04Å; F541-W582 AromaticContact CZ-CG 3.87Å; F541-W582 HydrophobicContact CZ-CG 3.87Å; F541-W582 AromaticContact CZ-NE1 3.81Å; F541-W591 HydrophobicContact CD2-CB 4.38Å; F541-W591 AromaticContact CD2-CD2 3.87Å; F541-W591 HydrophobicContact CD2-CD2 3.87Å; F541-W591 HydrophobicContact CD2-CE3 4.31Å; F541-W591 AromaticContact CD2-CG 3.89Å; F541-W591 HydrophobicContact CD2-CG 3.89Å; F541-W591 HydrophobicContact CE2-CD2 4.43Å; F541-W591 HydrophobicContact CE2-CG 4.48Å |
| 542 | P | 97.1 | Very high | 98 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -68.2 | -7 | -174.7 | -25.8 | 38.3 | 0 | 0 | 0 | 116.3 | W582 W591 | P542-W582 HydrophobicContact CB-CH2 4.4Å; P542-W582 HydrophobicContact CG-CE3 4.37Å; P542-W582 HydrophobicContact CG-CH2 4.2Å; P542-W582 HydrophobicContact CG-CZ3 3.85Å; P542-W591 HydrophobicContact CG-CB 4.03Å |
| 543 | Q | 96.6 | Very high | 98 | Very high | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -144.5 | 145 | -177.6 | -167.4 | 179 | 31.7 | 0 | 0 | 111.1 | N523 F541 R545 A564 | N523-Q543 VanDerWaalsContact CB-O 3.24Å; N523-Q543 WeakPolarHBondContact CB-O 3.38Å; F541-Q543 WeakPolarHBondContact CD1-O 3.17Å; F541-Q543 HydrophobicContact CE1-CB 4.23Å; F541-Q543 PolarHBondContact O-N 3.02Å; F541-Q543 VanDerWaalsContact O-N 3.08Å; Q543-R545 HydrophobicContact CG-CG 4.47Å; Q543-R545 VanDerWaalsContact OE1-CZ 3.31Å; Q543-A564 HydrophobicContact CG-CB 4.27Å |
| 544 | E | 98.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | trans | -75.5 | 131.9 | 171.1 | -56.9 | -172.7 | 164.3 | 0 | 0 | 110.6 | L521 N523 | L521-E544 HydrophobicContact CB-CB 3.68Å; N523-E544 HydrophobicContact CB-CB 4.5Å; N523-E544 HydrophobicContact CB-CG 4.02Å | ||
| 545 | R | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -145.5 | 160.2 | -176.4 | -66.2 | -165.5 | -176.4 | 174 | 2.8 | 113.4 | A514 G515 T522 F541 Q543 V548 G561 F563 A564 L578 D580 | A514-R545 HydrophobicContact CB-CB 4.24Å; A514-R545 WeakPolarHBondContact CB-O 3.39Å; G515-R545 CarbonylContact C-O 3.59Å; G515-R545 WeakPolarHBondContact CA-O 3.25Å; G515-R545 PolarHBondContact N-O 2.93Å; T522-R545 PolarHBondContact O-N 3.04Å; F541-R545 HydrophobicContact CE1-CG 4.39Å; Q543-R545 HydrophobicContact CG-CG 4.47Å; Q543-R545 VanDerWaalsContact OE1-CZ 3.31Å; R545-V548 HydrophobicContact CB-CG1 3.36Å; R545-V548 HydrophobicContact CG-CG1 4.16Å; R545-G561 WeakPolarHBondContact CD-O 3.34Å; R545-G561 PolarHBondContact NH1-O 2.95Å; R545-F563 CarbonylContact C-O 3.58Å; R545-F563 WeakPolarHBondContact CA-O 3.24Å; R545-A564 HydrophobicContact CG-CB 4.1Å; R545-L578 VanDerWaalsContact NH2-CD1 3.31Å; R545-D580 IonicContact CZ-OD1 2.79Å; R545-D580 IonicContact CZ-OD2 3.32Å; R545-D580 IonicContact NH1-OD1 2.81Å; R545-D580 PolarHBondContact NH1-OD1 3.28Å; R545-D580 IonicContact NH1-OD2 2.71Å; R545-D580 PolarHBondContact NH1-OD2 2.88Å; R545-D580 IonicContact NH2-OD1 3.89Å; R545-D580 PolarHBondContact NH2-OD1 2.86Å; R545-D580 IonicContact NH2-OD2 3.75Å; R545-D580 PolarHBondContact NH2-OD2 3.15Å |
| 546 | S | 98 | Very high | 97.5 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 162.1 | 161.2 | 59.3 | 0 | 0 | 0 | 0 | 111.3 | L500 V548 G562 F563 | L500-S546 CarbonylContact O-C 3.58Å; S546-V548 PolarHBondContact O-N 2.83Å; S546-V548 VanDerWaalsContact O-N 3.08Å; S546-G562 CarbonylContact O-C 3.59Å; S546-G562 VanDerWaalsContact O-CA 3.22Å; S546-G562 WeakPolarHBondContact O-CA 3.29Å; S546-F563 PolarHBondContact N-O 3.12Å; S546-F563 PolarHBondContact O-N 2.88Å |
| 547 | S | 97.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 53.6 | 28.5 | 177.6 | -50 | 0 | 0 | 0 | 0 | 114.9 | L500 | L500-S547 PolarHBondContact O-N 2.85Š|
| 548 | V | 97.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | trans | -66.3 | 147 | 170.5 | -52 | 0 | 0 | 0 | 0 | 109.7 | G502 A513 A514 R545 S546 L559 | G502-V548 WeakPolarHBondContact CA-O 3.15Å; G502-V548 PolarHBondContact N-O 2.87Å; A513-V548 WeakPolarHBondContact O-CG2 3.4Å; A514-V548 HydrophobicContact CB-CG1 4.13Å; A514-V548 HydrophobicContact CB-CG2 3.98Å; R545-V548 HydrophobicContact CB-CG1 3.36Å; R545-V548 HydrophobicContact CG-CG1 4.16Å; S546-V548 PolarHBondContact O-N 2.83Å; S546-V548 VanDerWaalsContact O-N 3.08Å; V548-L559 HydrophobicContact CB-CD1 4.45Å; V548-L559 HydrophobicContact CB-CD2 3.99Å; V548-L559 HydrophobicContact CB-CG 4.16Å; V548-L559 HydrophobicContact CG1-CD2 4.12Å; V548-L559 HydrophobicContact CG2-CD1 4.21Å; V548-L559 HydrophobicContact CG2-CG 4.34Å | ||
| 549 | S | 97.8 | Very high | 97.5 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.4 | 170.2 | -68 | 0 | 0 | 0 | 0 | 110.5 | L559 L560 F606 | S549-L559 WeakPolarHBondContact O-CA 3.39Å; S549-L560 PolarHBondContact N-O 3.42Å; S549-L560 PolarHBondContact O-N 2.96Å; S549-F606 WeakPolarHBondContact OG-CD2 3.3Å |
| 550 | L | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.1 | 170 | -74.4 | -175.4 | 0 | 0 | 0 | 109.5 | G502 T504 A513 L557 Y558 L559 W591 | G502-L550 WeakPolarHBondContact O-CD1 3.17Å; T504-L550 WeakPolarHBondContact CB-O 3.43Å; T504-L550 HydrophobicContact CG2-CB 3.75Å; T504-L550 HydrophobicContact CG2-CD1 4.46Å; T504-L550 PolarHBondContact OG1-O 2.96Å; A513-L550 HydrophobicContact CB-CD1 3.8Å; A513-L550 HydrophobicContact CB-CD2 3.95Å; A513-L550 HydrophobicContact CB-CG 4.07Å; L550-L557 HydrophobicContact CD2-CD1 4.4Å; L550-Y558 WeakPolarHBondContact CA-O 3.49Å; L550-Y558 WeakPolarHBondContact CD2-O 3.4Å; L550-L559 HydrophobicContact CD2-CB 3.78Å; L550-L559 HydrophobicContact CD2-CD1 3.99Å; L550-L559 HydrophobicContact CD2-CG 3.95Å; L550-W591 HydrophobicContact CD2-CH2 4.28Å |
| 551 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.6 | -179.5 | 173 | 0 | 0 | 0 | 0 | 109.1 | L553 Y558 L560 F606 P608 | V551-L553 HydrophobicContact CG1-CB 4.32Å; V551-Y558 PolarHBondContact N-O 3.4Å; V551-Y558 PolarHBondContact O-N 2.88Å; V551-L560 HydrophobicContact CB-CD1 3.92Å; V551-L560 HydrophobicContact CG2-CD1 3.75Å; V551-F606 HydrophobicContact CG2-CB 4.06Å; V551-P608 HydrophobicContact CG1-CB 3.72Å; V551-P608 HydrophobicContact CG1-CG 4.02Å |
| 552 | S | 97.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 29 Ų | 29 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 110.8 | 168.4 | 176.4 | 0 | 0 | 0 | 0 | 109 | V505 H506 I556 | V505-S552 VanDerWaalsContact O-CB 3.26Å; V505-S552 WeakPolarHBondContact O-CB 3.39Å; H506-S552 PolarHBondContact ND1-OG 3.07Å; S552-I556 WeakPolarHBondContact CA-O 3.42Å |
| 553 | L | 97.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.3 | -178.7 | -166.5 | 76.8 | 0 | 0 | 0 | 110 | D316 I318 P331 V551 G555 I556 Y558 P608 | D316-L553 HydrophobicContact CB-CD1 3.89Å; D316-L553 HydrophobicContact CB-CG 4.14Å; I318-L553 HydrophobicContact CG1-CD2 3.81Å; P331-L553 HydrophobicContact CG-CD2 3.96Å; V551-L553 HydrophobicContact CG1-CB 4.32Å; L553-G555 PolarHBondContact O-N 3.12Å; L553-I556 PolarHBondContact N-O 2.88Å; L553-I556 PolarHBondContact O-N 3.35Å; L553-Y558 HydrophobicContact CB-CD2 4.11Å; L553-Y558 HydrophobicContact CB-CE2 3.95Å; L553-P608 HydrophobicContact CD1-CB 3.67Å |
| 554 | S | 93.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 25.8 Ų | 25.8 | 59% | 0.587 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47 | 32.8 | 176.8 | -42.5 | 0 | 0 | 0 | 0 | 115.5 | D316 | D316-S554 WeakPolarHBondContact CB-OG 3.25Å; D316-S554 PolarHBondContact OD2-OG 3.24Å |
| 555 | G | 94.5 | Very high | 96.9 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 46% | 0.464 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 7.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H506 L553 | H506-G555 PolarHBondContact CE1-O 3.15Å; L553-G555 PolarHBondContact O-N 3.12Å |
| 556 | I | 97.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 26.7 Ų | 26.7 | 32% | 0.318 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.7 | 175.1 | -58.7 | 172.2 | 0 | 0 | 0 | 109.5 | S552 L553 Y558 R583 | S552-I556 WeakPolarHBondContact CA-O 3.42Å; L553-I556 PolarHBondContact N-O 2.88Å; L553-I556 PolarHBondContact O-N 3.35Å; I556-Y558 HydrophobicContact CB-CD2 4.39Å; I556-Y558 HydrophobicContact CB-CE2 3.64Å; I556-Y558 HydrophobicContact CG2-CD2 4.09Å; I556-Y558 HydrophobicContact CG2-CE1 4.32Å; I556-Y558 HydrophobicContact CG2-CE2 3.52Å; I556-R583 HydrophobicContact CG2-CB 4.09Å |
| 557 | L | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.6 | 173.9 | 179.7 | 64.1 | 0 | 0 | 0 | 110.3 | T504 H506 Y511 L550 R583 Y584 W591 | T504-L557 HydrophobicContact CG2-CD1 3.49Å; T504-L557 VanDerWaalsContact CG2-CD1 3.49Å; H506-L557 HydrophobicContact CB-CD1 4.38Å; Y511-L557 HydrophobicContact CD1-CD2 3.73Å; Y511-L557 HydrophobicContact CE1-CD2 4.07Å; Y511-L557 HydrophobicContact CG-CD2 4.15Å; L550-L557 HydrophobicContact CD2-CD1 4.4Å; L557-R583 CarbonylContact O-C 3.51Å; L557-R583 WeakPolarHBondContact O-CA 3.34Å; L557-Y584 PolarHBondContact O-N 3.28Å; L557-W591 HydrophobicContact CD2-CH2 3.95Å; L557-W591 HydrophobicContact CG-CH2 4.12Å |
| 558 | Y | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.6 | 176.1 | -65 | -91.8 | 0 | 0 | 0 | 111.4 | I318 P331 L550 V551 L553 I556 V581 W582 R583 | I318-Y558 HydrophobicContact CD1-CD1 4.29Å; I318-Y558 HydrophobicContact CD1-CD2 4.39Å; I318-Y558 HydrophobicContact CD1-CG 4.11Å; P331-Y558 HydrophobicContact CB-CE1 3.61Å; P331-Y558 HydrophobicContact CG-CE1 3.93Å; P331-Y558 HydrophobicContact CG-CE2 4.23Å; P331-Y558 WeakPolarHBondContact CG-OH 3.44Å; L550-Y558 WeakPolarHBondContact CA-O 3.49Å; L550-Y558 WeakPolarHBondContact CD2-O 3.4Å; V551-Y558 PolarHBondContact N-O 3.4Å; V551-Y558 PolarHBondContact O-N 2.88Å; L553-Y558 HydrophobicContact CB-CD2 4.11Å; L553-Y558 HydrophobicContact CB-CE2 3.95Å; I556-Y558 HydrophobicContact CB-CD2 4.39Å; I556-Y558 HydrophobicContact CB-CE2 3.64Å; I556-Y558 HydrophobicContact CG2-CD2 4.09Å; I556-Y558 HydrophobicContact CG2-CE1 4.32Å; I556-Y558 HydrophobicContact CG2-CE2 3.52Å; Y558-V581 HydrophobicContact CD1-CG1 3.86Å; Y558-W582 CarbonylContact C-O 3.57Å; Y558-W582 WeakPolarHBondContact CA-O 3.41Å; Y558-R583 HydrophobicContact CD1-CB 3.82Å; Y558-R583 HydrophobicContact CE1-CB 3.7Å |
| 559 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128 | 167.7 | -173.3 | 157.3 | 0 | 0 | 0 | 108.7 | A513 F541 V548 S549 L550 W582 W591 | A513-L559 HydrophobicContact CB-CD1 3.87Å; F541-L559 HydrophobicContact CB-CD1 4.43Å; F541-L559 HydrophobicContact CD1-CD1 4.11Å; F541-L559 HydrophobicContact CD1-CD2 4.43Å; F541-L559 HydrophobicContact CD2-CD1 3.68Å; F541-L559 HydrophobicContact CD2-CD2 4.38Å; F541-L559 HydrophobicContact CD2-CG 4.49Å; F541-L559 HydrophobicContact CE1-CD1 4.38Å; F541-L559 HydrophobicContact CE1-CD2 3.9Å; F541-L559 HydrophobicContact CE2-CB 4.42Å; F541-L559 HydrophobicContact CE2-CD1 3.96Å; F541-L559 HydrophobicContact CE2-CD2 3.82Å; F541-L559 HydrophobicContact CE2-CG 4.29Å; F541-L559 HydrophobicContact CG-CD1 3.81Å; F541-L559 HydrophobicContact CZ-CD1 4.33Å; F541-L559 HydrophobicContact CZ-CD2 3.58Å; F541-L559 HydrophobicContact CZ-CG 4.5Å; V548-L559 HydrophobicContact CB-CD1 4.45Å; V548-L559 HydrophobicContact CB-CD2 3.99Å; V548-L559 HydrophobicContact CB-CG 4.16Å; V548-L559 HydrophobicContact CG1-CD2 4.12Å; V548-L559 HydrophobicContact CG2-CD1 4.21Å; V548-L559 HydrophobicContact CG2-CG 4.34Å; S549-L559 WeakPolarHBondContact O-CA 3.39Å; L550-L559 HydrophobicContact CD2-CB 3.78Å; L550-L559 HydrophobicContact CD2-CD1 3.99Å; L550-L559 HydrophobicContact CD2-CG 3.95Å; L559-W582 PolarHBondContact N-O 3.06Å; L559-W582 PolarHBondContact O-N 2.83Å; L559-W591 HydrophobicContact CB-CE3 4.33Å; L559-W591 HydrophobicContact CB-CH2 4.01Å; L559-W591 HydrophobicContact CB-CZ3 3.66Å; L559-W591 HydrophobicContact CD1-CH2 4.47Å |
| 560 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.4 | -174.5 | -60.1 | 98.5 | 0 | 0 | 0 | 111.4 | I318 M320 S549 V551 D580 V581 F606 | I318-L560 HydrophobicContact CD1-CD1 4.45Å; I318-L560 HydrophobicContact CD1-CD2 4Å; I318-L560 HydrophobicContact CG2-CD2 3.73Å; M320-L560 HydrophobicContact CE-CD2 3.89Å; S549-L560 PolarHBondContact N-O 3.42Å; S549-L560 PolarHBondContact O-N 2.96Å; V551-L560 HydrophobicContact CB-CD1 3.92Å; V551-L560 HydrophobicContact CG2-CD1 3.75Å; L560-D580 WeakPolarHBondContact CA-O 3.48Å; L560-V581 HydrophobicContact CD2-CG1 4.38Å; L560-V581 HydrophobicContact CD2-CG2 3.69Å; L560-V581 HydrophobicContact CG-CG1 4.39Å; L560-V581 HydrophobicContact CG-CG2 4.16Å; L560-F606 HydrophobicContact CB-CD1 4Å; L560-F606 HydrophobicContact CB-CD2 4.27Å; L560-F606 HydrophobicContact CB-CE1 4.12Å; L560-F606 HydrophobicContact CB-CE2 4.4Å; L560-F606 HydrophobicContact CB-CG 4.07Å; L560-F606 HydrophobicContact CB-CZ 4.33Å; L560-F606 HydrophobicContact CD2-CB 4.5Å; L560-F606 HydrophobicContact CD2-CD1 3.46Å; L560-F606 VanDerWaalsContact CD2-CD1 3.46Å; L560-F606 HydrophobicContact CD2-CE1 3.87Å; L560-F606 HydrophobicContact CD2-CG 4.13Å; L560-F606 HydrophobicContact CG-CD1 4.28Å |
| 561 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.1 | -137.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R545 L578 D580 | R545-G561 WeakPolarHBondContact CD-O 3.34Å; R545-G561 PolarHBondContact NH1-O 2.95Å; G561-L578 CarbonylContact C-O 3.45Å; G561-L578 WeakPolarHBondContact CA-O 3.41Å; G561-D580 PolarHBondContact N-O 2.88Å |
| 562 | G | 96.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S546 L578 | S546-G562 CarbonylContact O-C 3.59Å; S546-G562 VanDerWaalsContact O-CA 3.22Å; S546-G562 WeakPolarHBondContact O-CA 3.29Å; G562-L578 PolarHBondContact N-O 3.17Å; G562-L578 PolarHBondContact O-N 3.22Å |
| 563 | F | 96.7 | Very high | 94.1 | Very high | 77 Ų | 77 | 57 Ų | 57 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130 | -176.7 | -66.1 | -98.3 | 0 | 0 | 0 | 111 | R545 S546 T576 E577 | R545-F563 CarbonylContact C-O 3.58Å; R545-F563 WeakPolarHBondContact CA-O 3.24Å; S546-F563 PolarHBondContact N-O 3.12Å; S546-F563 PolarHBondContact O-N 2.88Å; F563-T576 WeakPolarHBondContact CA-O 3.47Å; F563-E577 HydrophobicContact CD1-CB 4.02Å; F563-E577 HydrophobicContact CE1-CB 3.59Å; F563-E577 HydrophobicContact CE1-CG 4.12Å; F563-E577 HydrophobicContact CE2-CG 4.4Å; F563-E577 HydrophobicContact CZ-CB 3.96Å; F563-E577 HydrophobicContact CZ-CG 3.95Å |
| 564 | A | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 157.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q543 R545 P575 T576 L578 | Q543-A564 HydrophobicContact CG-CB 4.27Å; R545-A564 HydrophobicContact CG-CB 4.1Å; A564-P575 WeakPolarHBondContact O-CA 3.36Å; A564-T576 PolarHBondContact N-O 2.88Å; A564-T576 PolarHBondContact O-N 3.28Å; A564-L578 HydrophobicContact CB-CD1 3.66Å; A564-L578 HydrophobicContact CB-CG 4.47Å |
| 565 | T | 93.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120.7 | 164.8 | -54 | 0 | 0 | 0 | 0 | 108.8 | L573 | T565-L573 HydrophobicContact CG2-CB 3.64Å; T565-L573 HydrophobicContact CG2-CD2 4.09Å; T565-L573 HydrophobicContact CG2-CG 4.3Å |
| 566 | V | 91.1 | Very high | 93.9 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135 | 179.6 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | V574 T576 | V566-V574 PolarHBondContact N-O 3.05Å; V566-V574 PolarHBondContact O-N 2.85Å; V566-T576 HydrophobicContact CG2-CG2 4.4Å |
| 567 | E | 90.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 60 Ų | 60 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126 | 173.9 | -167.4 | 174.6 | -172.7 | 0 | 0 | 110.1 | E572 L573 | E567-E572 CarbonylContact C-O 3.5Å; E567-E572 WeakPolarHBondContact CA-O 3.35Å; E567-L573 HydrophobicContact CB-CD2 3.86Å; E567-L573 HydrophobicContact CG-CD2 4.15Å |
| 568 | T | 89.3 | Confident | 93.6 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 32% | 0.319 | 34% | 0.343 | S | S | . | . | trans | -78.9 | 169.2 | 176 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | S570 G571 E572 V574 | T568-S570 PolarHBondContact O-N 2.8Å; T568-S570 PolarHBondContact OG1-N 3.2Å; T568-S570 PolarHBondContact OG1-OG 2.92Å; T568-G571 PolarHBondContact O-N 3.48Å; T568-E572 PolarHBondContact N-O 2.94Å; T568-E572 WeakPolarHBondContact OG1-CB 3.38Å; T568-E572 PolarHBondContact OG1-N 2.94Å; T568-E572 VanDerWaalsContact OG1-N 3.12Å; T568-E572 PolarHBondContact OG1-O 3.18Å; T568-V574 HydrophobicContact CG2-CB 4.41Å; T568-V574 HydrophobicContact CG2-CG2 3.74Å | ||
| 569 | E | 90.3 | Very high | 93.4 | Very high | 213 Ų | 213 | 62.6 Ų | 62.6 | 100% | 0.995 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.6 | 172.8 | -60.8 | -175.9 | 165.1 | 0 | 0 | 113.7 | ||
| 570 | S | 88.4 | Confident | 93.2 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.7 | 175.2 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | T568 E572 | T568-S570 PolarHBondContact O-N 2.8Å; T568-S570 PolarHBondContact OG1-N 3.2Å; T568-S570 PolarHBondContact OG1-OG 2.92Å; S570-E572 VanDerWaalsContact C-N 3.33Å |
| 571 | G | 90 | Very high | 93.2 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 74.8 | 19 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T568 | T568-G571 PolarHBondContact O-N 3.48Š|
| 572 | E | 93 | Very high | 93.3 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | trans | -91.6 | 135 | 177.6 | -170.4 | 174.3 | -176.8 | 0 | 0 | 110.3 | E567 T568 S570 V574 | E567-E572 CarbonylContact C-O 3.5Å; E567-E572 WeakPolarHBondContact CA-O 3.35Å; T568-E572 PolarHBondContact N-O 2.94Å; T568-E572 WeakPolarHBondContact OG1-CB 3.38Å; T568-E572 PolarHBondContact OG1-N 2.94Å; T568-E572 VanDerWaalsContact OG1-N 3.12Å; T568-E572 PolarHBondContact OG1-O 3.18Å; S570-E572 VanDerWaalsContact C-N 3.33Å; E572-V574 HydrophobicContact CB-CG2 4.45Å; E572-V574 HydrophobicContact CG-CG2 4.04Å | ||
| 573 | L | 90.9 | Very high | 93.3 | Very high | 117 Ų | 117 | 70.6 Ų | 70.6 | 61% | 0.613 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 103 | -178.7 | -68.6 | 179.7 | 0 | 0 | 0 | 110.4 | T565 E567 | T565-L573 HydrophobicContact CG2-CB 3.64Å; T565-L573 HydrophobicContact CG2-CD2 4.09Å; T565-L573 HydrophobicContact CG2-CG 4.3Å; E567-L573 HydrophobicContact CB-CD2 3.86Å; E567-L573 HydrophobicContact CG-CD2 4.15Å |
| 574 | V | 93.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 30% | 0.303 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.2 | -172.4 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | V566 T568 E572 T576 | V566-V574 PolarHBondContact N-O 3.05Å; V566-V574 PolarHBondContact O-N 2.85Å; T568-V574 HydrophobicContact CG2-CB 4.41Å; T568-V574 HydrophobicContact CG2-CG2 3.74Å; E572-V574 HydrophobicContact CB-CG2 4.45Å; E572-V574 HydrophobicContact CG-CG2 4.04Å; V574-T576 PolarHBondContact O-N 2.77Å; V574-T576 PolarHBondContact O-OG1 3.35Å; V574-T576 VanDerWaalsContact O-OG1 3.11Å |
| 575 | P | 93.1 | Very high | 93.5 | Very high | 103 Ų | 103 | 68.7 Ų | 68.7 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 118.7 | 170 | -20 | 32.5 | 0 | 0 | 0 | 110.7 | A564 | A564-P575 WeakPolarHBondContact O-CA 3.36Å |
| 576 | T | 94.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 69.4 Ų | 69.4 | 31% | 0.307 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132 | -173.6 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | F563 A564 V566 V574 L578 | F563-T576 WeakPolarHBondContact CA-O 3.47Å; A564-T576 PolarHBondContact N-O 2.88Å; A564-T576 PolarHBondContact O-N 3.28Å; V566-T576 HydrophobicContact CG2-CG2 4.4Å; V574-T576 PolarHBondContact O-N 2.77Å; V574-T576 PolarHBondContact O-OG1 3.35Å; V574-T576 VanDerWaalsContact O-OG1 3.11Å; T576-L578 HydrophobicContact CG2-CD2 4.4Å |
| 577 | E | 94.6 | Very high | 93.7 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.6 | 169.4 | -171.9 | 174.7 | -124.5 | 0 | 0 | 109.5 | F563 S602 G603 | F563-E577 HydrophobicContact CD1-CB 4.02Å; F563-E577 HydrophobicContact CE1-CB 3.59Å; F563-E577 HydrophobicContact CE1-CG 4.12Å; F563-E577 HydrophobicContact CE2-CG 4.4Å; F563-E577 HydrophobicContact CZ-CB 3.96Å; F563-E577 HydrophobicContact CZ-CG 3.95Å; E577-S602 WeakPolarHBondContact OE2-CA 3.33Å; E577-S602 VanDerWaalsContact OE2-CB 3.28Å; E577-S602 WeakPolarHBondContact OE2-CB 3.44Å; E577-S602 PolarHBondContact OE2-OG 2.79Å; E577-G603 WeakPolarHBondContact OE1-CA 3.38Å; E577-G603 PolarHBondContact OE1-N 3.04Å; E577-G603 PolarHBondContact OE2-N 2.98Å |
| 578 | L | 94.9 | Very high | 94 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.1 | 175.2 | -59 | 176.9 | 0 | 0 | 0 | 108.8 | R545 G561 G562 A564 T576 | R545-L578 VanDerWaalsContact NH2-CD1 3.31Å; G561-L578 CarbonylContact C-O 3.45Å; G561-L578 WeakPolarHBondContact CA-O 3.41Å; G562-L578 PolarHBondContact N-O 3.17Å; G562-L578 PolarHBondContact O-N 3.22Å; A564-L578 HydrophobicContact CB-CD1 3.66Å; A564-L578 HydrophobicContact CB-CG 4.47Å; T576-L578 HydrophobicContact CG2-CD2 4.4Å |
| 579 | N | 93 | Very high | 94.4 | Very high | 24 Ų | 24 | 78.9 Ų | 78.9 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 30.4 | -179.3 | -67.6 | -41.7 | 0 | 0 | 0 | 110.8 | E597 I598 A601 | N579-E597 HydrophobicContact CB-CG 4.43Å; N579-E597 CarbonylContact O-C 3.57Å; N579-E597 WeakPolarHBondContact O-CA 3.37Å; N579-I598 PolarHBondContact O-N 3.14Å; N579-A601 HydrophobicContact CB-CB 4.07Å; N579-A601 PolarHBondContact OD1-O 3.49Å; N579-A601 VanDerWaalsContact OD1-O 3.13Å |
| 580 | D | 95.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 158 | 178.5 | 58.1 | -19 | 0 | 0 | 0 | 112.2 | R545 L560 G561 W582 L595 R596 | R545-D580 IonicContact CZ-OD1 2.79Å; R545-D580 IonicContact CZ-OD2 3.32Å; R545-D580 IonicContact NH1-OD1 2.81Å; R545-D580 PolarHBondContact NH1-OD1 3.28Å; R545-D580 IonicContact NH1-OD2 2.71Å; R545-D580 PolarHBondContact NH1-OD2 2.88Å; R545-D580 IonicContact NH2-OD1 3.89Å; R545-D580 PolarHBondContact NH2-OD1 2.86Å; R545-D580 IonicContact NH2-OD2 3.75Å; R545-D580 PolarHBondContact NH2-OD2 3.15Å; L560-D580 WeakPolarHBondContact CA-O 3.48Å; G561-D580 PolarHBondContact N-O 2.88Å; D580-W582 PolarHBondContact OD2-NE1 3.23Å; D580-L595 CarbonylContact C-O 3.58Å; D580-L595 VanDerWaalsContact CA-O 3.24Å; D580-L595 WeakPolarHBondContact CA-O 3.28Å; D580-L595 VanDerWaalsContact CB-O 3.29Å; D580-L595 WeakPolarHBondContact CB-O 3.43Å; D580-R596 WeakPolarHBondContact CB-O 3.38Å |
| 581 | V | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.8 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | Y329 Y558 L560 V594 L595 I598 | Y329-V581 HydrophobicContact CE1-CG1 4.42Å; Y329-V581 HydrophobicContact CE1-CG2 4.24Å; Y558-V581 HydrophobicContact CD1-CG1 3.86Å; L560-V581 HydrophobicContact CD2-CG1 4.38Å; L560-V581 HydrophobicContact CD2-CG2 3.69Å; L560-V581 HydrophobicContact CG-CG1 4.39Å; L560-V581 HydrophobicContact CG-CG2 4.16Å; V581-V594 HydrophobicContact CB-CB 4.35Å; V581-V594 HydrophobicContact CG1-CB 4.18Å; V581-V594 HydrophobicContact CG1-CG2 4.43Å; V581-V594 WeakPolarHBondContact O-CB 3.35Å; V581-V594 PolarHBondContact O-N 2.85Å; V581-L595 HydrophobicContact CB-CB 4.44Å; V581-L595 PolarHBondContact N-O 3.48Å; V581-L595 PolarHBondContact O-N 2.96Å; V581-I598 HydrophobicContact CG2-CD1 3.33Å; V581-I598 HydrophobicContact CG2-CG1 4.15Å |
| 582 | W | 97.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 22% | 0.216 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.3 | 172 | -65.3 | 72.7 | 0 | 0 | 0 | 109.3 | F541 P542 Y558 L559 D580 W591 E592 G593 | F541-W582 HydrophobicContact CE2-CB 3.93Å; F541-W582 AromaticContact CE2-CD1 3.93Å; F541-W582 AromaticContact CE2-CD2 3.78Å; F541-W582 HydrophobicContact CE2-CD2 3.78Å; F541-W582 HydrophobicContact CE2-CE3 4.27Å; F541-W582 AromaticContact CE2-CG 3.6Å; F541-W582 HydrophobicContact CE2-CG 3.6Å; F541-W582 AromaticContact CZ-CD1 3.71Å; F541-W582 HydrophobicContact CZ-CD2 4.04Å; F541-W582 AromaticContact CZ-CG 3.87Å; F541-W582 HydrophobicContact CZ-CG 3.87Å; F541-W582 AromaticContact CZ-NE1 3.81Å; P542-W582 HydrophobicContact CB-CH2 4.4Å; P542-W582 HydrophobicContact CG-CE3 4.37Å; P542-W582 HydrophobicContact CG-CH2 4.2Å; P542-W582 HydrophobicContact CG-CZ3 3.85Å; Y558-W582 CarbonylContact C-O 3.57Å; Y558-W582 WeakPolarHBondContact CA-O 3.41Å; L559-W582 PolarHBondContact N-O 3.06Å; L559-W582 PolarHBondContact O-N 2.83Å; D580-W582 PolarHBondContact OD2-NE1 3.23Å; W582-W591 HydrophobicContact CB-CE3 4.18Å; W582-W591 HydrophobicContact CE3-CB 3.94Å; W582-W591 HydrophobicContact CZ3-CB 4.48Å; W582-E592 CarbonylContact C-O 3.06Å; W582-E592 VanDerWaalsContact CA-O 3.25Å; W582-E592 WeakPolarHBondContact CA-O 3.35Å; W582-E592 VanDerWaalsContact CE3-C 3.4Å; W582-G593 VanDerWaalsContact CE3-N 3.26Å |
| 583 | R | 97.5 | Very high | 95.7 | Very high | 101 Ų | 101 | 65 Ų | 65 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.4 | 168.3 | 70 | -178.6 | -176.1 | -167.6 | 2.1 | 109.8 | I556 L557 Y558 W591 E592 V594 | I556-R583 HydrophobicContact CG2-CB 4.09Å; L557-R583 CarbonylContact O-C 3.51Å; L557-R583 WeakPolarHBondContact O-CA 3.34Å; Y558-R583 HydrophobicContact CD1-CB 3.82Å; Y558-R583 HydrophobicContact CE1-CB 3.7Å; R583-W591 WeakPolarHBondContact O-CA 3.35Å; R583-E592 HydrophobicContact CG-CB 4.06Å; R583-E592 IonicContact CZ-OE2 2.77Å; R583-E592 VanDerWaalsContact CZ-OE2 3.3Å; R583-E592 PolarHBondContact N-O 2.88Å; R583-E592 IonicContact NE-OE2 2.77Å; R583-E592 PolarHBondContact NE-OE2 2.74Å; R583-E592 IonicContact NH2-OE2 2.7Å; R583-E592 PolarHBondContact NH2-OE2 3.23Å; R583-E592 PolarHBondContact O-N 3.17Å; R583-V594 HydrophobicContact CB-CG2 3.84Å; R583-V594 HydrophobicContact CG-CG2 3.68Å |
| 584 | Y | 98.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.3 | 168.9 | -171.8 | -104 | 0 | 0 | 0 | 110.6 | F538 T539 L557 E586 K589 K590 W591 | F538-Y584 HydrophobicContact CD1-CE2 4.37Å; F538-Y584 HydrophobicContact CE1-CD1 4.01Å; F538-Y584 AromaticContact CE1-CD2 3.77Å; F538-Y584 HydrophobicContact CE1-CD2 3.77Å; F538-Y584 AromaticContact CE1-CE1 3.74Å; F538-Y584 HydrophobicContact CE1-CE1 3.74Å; F538-Y584 AromaticContact CE1-CE2 3.48Å; F538-Y584 HydrophobicContact CE1-CE2 3.48Å; F538-Y584 VanDerWaalsContact CE1-CE2 3.48Å; F538-Y584 AromaticContact CE1-CG 4Å; F538-Y584 HydrophobicContact CE1-CG 4Å; F538-Y584 AromaticContact CE1-CZ 3.43Å; F538-Y584 VanDerWaalsContact CE1-CZ 3.43Å; F538-Y584 HydrophobicContact CE2-CE1 4.12Å; F538-Y584 AromaticContact CZ-CD1 3.68Å; F538-Y584 HydrophobicContact CZ-CD1 3.68Å; F538-Y584 HydrophobicContact CZ-CD2 4.24Å; F538-Y584 AromaticContact CZ-CE1 3.19Å; F538-Y584 HydrophobicContact CZ-CE1 3.19Å; F538-Y584 AromaticContact CZ-CE2 3.83Å; F538-Y584 HydrophobicContact CZ-CE2 3.83Å; F538-Y584 HydrophobicContact CZ-CG 4.15Å; F538-Y584 AromaticContact CZ-CZ 3.24Å; F538-Y584 WeakPolarHBondContact CZ-OH 3.47Å; T539-Y584 HydrophobicContact CG2-CE2 4.38Å; T539-Y584 PolarHBondContact OG1-OH 2.81Å; L557-Y584 PolarHBondContact O-N 3.28Å; Y584-E586 HydrophobicContact CD1-CG 3.94Å; Y584-E586 VanDerWaalsContact CE1-CD 3.47Å; Y584-E586 HydrophobicContact CE1-CG 4.09Å; Y584-E586 WeakPolarHBondContact CE1-OE2 3.48Å; Y584-K589 WeakPolarHBondContact OH-CA 3.13Å; Y584-K589 WeakPolarHBondContact OH-CB 3.32Å; Y584-K590 WeakPolarHBondContact CD2-O 3.45Å; Y584-W591 AromaticContact CD2-CD2 3.98Å; Y584-W591 HydrophobicContact CD2-CD2 3.98Å; Y584-W591 AromaticContact CD2-CE2 3.9Å; Y584-W591 HydrophobicContact CD2-CE3 4.44Å; Y584-W591 HydrophobicContact CD2-CG 4.25Å; Y584-W591 HydrophobicContact CD2-CZ2 4.31Å |
| 585 | D | 97.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107 | 171 | 178.7 | -23 | 0 | 0 | 0 | 108.4 | E587 Q588 K589 K590 E592 | D585-E587 VanDerWaalsContact C-N 3.33Å; D585-E587 PolarHBondContact O-N 2.88Å; D585-E587 WeakPolarHBondContact OD1-CA 3.36Å; D585-E587 WeakPolarHBondContact OD1-CB 3.39Å; D585-E587 PolarHBondContact OD1-N 2.75Å; D585-Q588 HydrophobicContact CB-CB 4.39Å; D585-Q588 PolarHBondContact OD1-N 2.8Å; D585-Q588 WeakPolarHBondContact OD2-CB 3.27Å; D585-Q588 VanDerWaalsContact OD2-CG 3.3Å; D585-Q588 WeakPolarHBondContact OD2-CG 3.31Å; D585-Q588 PolarHBondContact OD2-NE2 2.85Å; D585-K589 WeakPolarHBondContact O-CA 3.46Å; D585-K589 PolarHBondContact O-N 2.95Å; D585-K590 HydrophobicContact CB-CG 4.17Å; D585-K590 PolarHBondContact N-O 2.78Å; D585-K590 PolarHBondContact O-N 3.44Å; D585-E592 HydrophobicContact CB-CG 4.31Å |
| 586 | E | 94.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -26.9 | 179.9 | -75.4 | -70.9 | 172.1 | 0 | 0 | 113.5 | Y584 | Y584-E586 HydrophobicContact CD1-CG 3.94Å; Y584-E586 VanDerWaalsContact CE1-CD 3.47Å; Y584-E586 HydrophobicContact CE1-CG 4.09Å; Y584-E586 WeakPolarHBondContact CE1-OE2 3.48Å |
| 587 | E | 95.3 | Very high | 95.3 | Very high | 186 Ų | 186 | 71.4 Ų | 71.4 | 87% | 0.869 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -46.1 | 179.1 | -61.6 | -168.9 | 168.8 | 0 | 0 | 110.9 | D585 | D585-E587 VanDerWaalsContact C-N 3.33Å; D585-E587 PolarHBondContact O-N 2.88Å; D585-E587 WeakPolarHBondContact OD1-CA 3.36Å; D585-E587 WeakPolarHBondContact OD1-CB 3.39Å; D585-E587 PolarHBondContact OD1-N 2.75Å |
| 588 | Q | 96.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 68.9 Ų | 68.9 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -8 | -179.5 | -61.3 | -179.1 | 59.2 | 0 | 0 | 113.4 | D585 K590 | D585-Q588 HydrophobicContact CB-CB 4.39Å; D585-Q588 PolarHBondContact OD1-N 2.8Å; D585-Q588 WeakPolarHBondContact OD2-CB 3.27Å; D585-Q588 VanDerWaalsContact OD2-CG 3.3Å; D585-Q588 WeakPolarHBondContact OD2-CG 3.31Å; D585-Q588 PolarHBondContact OD2-NE2 2.85Å; Q588-K590 HydrophobicContact CB-CD 3.83Å; Q588-K590 HydrophobicContact CB-CG 3.89Å; Q588-K590 VanDerWaalsContact CD-CE 3.45Å; Q588-K590 VanDerWaalsContact CD-NZ 3.33Å; Q588-K590 PolarHBondContact O-N 3.04Å |
| 589 | K | 96.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 73 Ų | 73 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42 | -180 | -60.9 | -172.8 | 177.5 | -174.7 | 0 | 114.8 | T539 Y584 D585 | T539-K589 WeakPolarHBondContact CG2-O 3.35Å; T539-K589 PolarHBondContact OG1-O 3.1Å; Y584-K589 WeakPolarHBondContact OH-CA 3.13Å; Y584-K589 WeakPolarHBondContact OH-CB 3.32Å; D585-K589 WeakPolarHBondContact O-CA 3.46Å; D585-K589 PolarHBondContact O-N 2.95Å |
| 590 | K | 97.7 | Very high | 93 | Very high | 72 Ų | 72 | 77.2 Ų | 77.2 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.9 | -173.2 | 69.3 | -179.9 | -173.9 | 173.3 | 0 | 111.4 | Y584 D585 Q588 E592 | Y584-K590 WeakPolarHBondContact CD2-O 3.45Å; D585-K590 HydrophobicContact CB-CG 4.17Å; D585-K590 PolarHBondContact N-O 2.78Å; D585-K590 PolarHBondContact O-N 3.44Å; Q588-K590 HydrophobicContact CB-CD 3.83Å; Q588-K590 HydrophobicContact CB-CG 3.89Å; Q588-K590 VanDerWaalsContact CD-CE 3.45Å; Q588-K590 VanDerWaalsContact CD-NZ 3.33Å; Q588-K590 PolarHBondContact O-N 3.04Å; K590-E592 HydrophobicContact CD-CG 4.4Å; K590-E592 VanDerWaalsContact CE-CG 3.48Å; K590-E592 WeakPolarHBondContact CE-OE1 3.44Å; K590-E592 HydrophobicContact CG-CG 4.33Å; K590-E592 IonicContact NZ-OE1 2.71Å; K590-E592 PolarHBondContact NZ-OE1 2.82Å |
| 591 | W | 98.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 76.5 Ų | 76.5 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.4 | 168.1 | -66.3 | 97.5 | 0 | 0 | 0 | 110.5 | V525 T539 F541 P542 L550 L557 L559 W582 R583 Y584 | V525-W591 HydrophobicContact CG2-CZ2 4.37Å; T539-W591 PolarHBondContact O-NE1 2.78Å; F541-W591 HydrophobicContact CD2-CB 4.38Å; F541-W591 AromaticContact CD2-CD2 3.87Å; F541-W591 HydrophobicContact CD2-CD2 3.87Å; F541-W591 HydrophobicContact CD2-CE3 4.31Å; F541-W591 AromaticContact CD2-CG 3.89Å; F541-W591 HydrophobicContact CD2-CG 3.89Å; F541-W591 HydrophobicContact CE2-CD2 4.43Å; F541-W591 HydrophobicContact CE2-CG 4.48Å; P542-W591 HydrophobicContact CG-CB 4.03Å; L550-W591 HydrophobicContact CD2-CH2 4.28Å; L557-W591 HydrophobicContact CD2-CH2 3.95Å; L557-W591 HydrophobicContact CG-CH2 4.12Å; L559-W591 HydrophobicContact CB-CE3 4.33Å; L559-W591 HydrophobicContact CB-CH2 4.01Å; L559-W591 HydrophobicContact CB-CZ3 3.66Å; L559-W591 HydrophobicContact CD1-CH2 4.47Å; W582-W591 HydrophobicContact CB-CE3 4.18Å; W582-W591 HydrophobicContact CE3-CB 3.94Å; W582-W591 HydrophobicContact CZ3-CB 4.48Å; R583-W591 WeakPolarHBondContact O-CA 3.35Å; Y584-W591 AromaticContact CD2-CD2 3.98Å; Y584-W591 HydrophobicContact CD2-CD2 3.98Å; Y584-W591 AromaticContact CD2-CE2 3.9Å; Y584-W591 HydrophobicContact CD2-CE3 4.44Å; Y584-W591 HydrophobicContact CD2-CG 4.25Å; Y584-W591 HydrophobicContact CD2-CZ2 4.31Å |
| 592 | E | 97.6 | Very high | 91.8 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 20% | 0.201 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.5 | 174.6 | -62.5 | -164.3 | 137.1 | 0 | 0 | 110.4 | W582 R583 D585 K590 V594 | W582-E592 CarbonylContact C-O 3.06Å; W582-E592 VanDerWaalsContact CA-O 3.25Å; W582-E592 WeakPolarHBondContact CA-O 3.35Å; W582-E592 VanDerWaalsContact CE3-C 3.4Å; R583-E592 HydrophobicContact CG-CB 4.06Å; R583-E592 IonicContact CZ-OE2 2.77Å; R583-E592 VanDerWaalsContact CZ-OE2 3.3Å; R583-E592 PolarHBondContact N-O 2.88Å; R583-E592 IonicContact NE-OE2 2.77Å; R583-E592 PolarHBondContact NE-OE2 2.74Å; R583-E592 IonicContact NH2-OE2 2.7Å; R583-E592 PolarHBondContact NH2-OE2 3.23Å; R583-E592 PolarHBondContact O-N 3.17Å; D585-E592 HydrophobicContact CB-CG 4.31Å; K590-E592 HydrophobicContact CD-CG 4.4Å; K590-E592 VanDerWaalsContact CE-CG 3.48Å; K590-E592 WeakPolarHBondContact CE-OE1 3.44Å; K590-E592 HydrophobicContact CG-CG 4.33Å; K590-E592 IonicContact NZ-OE1 2.71Å; K590-E592 PolarHBondContact NZ-OE1 2.82Å; E592-V594 PolarHBondContact O-N 3.06Å |
| 593 | G | 95.6 | Very high | 91.3 | Very high | 53 Ų | 53 | 77.4 Ų | 77.4 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W582 | W582-G593 VanDerWaalsContact CE3-N 3.26Å |
| 594 | V | 93.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 26% | 0.255 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -49.5 | 178 | -177.2 | 0 | 0 | 0 | 0 | 110 | V581 R583 E592 | V581-V594 HydrophobicContact CB-CB 4.35Å; V581-V594 HydrophobicContact CG1-CB 4.18Å; V581-V594 HydrophobicContact CG1-CG2 4.43Å; V581-V594 WeakPolarHBondContact O-CB 3.35Å; V581-V594 PolarHBondContact O-N 2.85Å; R583-V594 HydrophobicContact CB-CG2 3.84Å; R583-V594 HydrophobicContact CG-CG2 3.68Å; E592-V594 PolarHBondContact O-N 3.06Å |
| 595 | L | 92.2 | Very high | 91 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 138.7 | -174.9 | -159.3 | 164.6 | 0 | 0 | 0 | 109.9 | Y329 N334 D580 V581 E597 I598 | Y329-L595 HydrophobicContact CE2-CD1 3.74Å; Y329-L595 WeakPolarHBondContact OH-CD1 3.26Å; N334-L595 WeakPolarHBondContact OD1-CD1 3.23Å; D580-L595 CarbonylContact C-O 3.58Å; D580-L595 VanDerWaalsContact CA-O 3.24Å; D580-L595 WeakPolarHBondContact CA-O 3.28Å; D580-L595 VanDerWaalsContact CB-O 3.29Å; D580-L595 WeakPolarHBondContact CB-O 3.43Å; V581-L595 HydrophobicContact CB-CB 4.44Å; V581-L595 PolarHBondContact N-O 3.48Å; V581-L595 PolarHBondContact O-N 2.96Å; L595-E597 WeakPolarHBondContact CD2-O 3.35Å; L595-I598 HydrophobicContact CD1-CD1 4.19Å; L595-I598 HydrophobicContact CD1-CG1 3.83Å; L595-I598 HydrophobicContact CD2-CG1 3.71Å; L595-I598 HydrophobicContact CG-CG1 4.24Å |
| 596 | R | 89.5 | Confident | 91 | Very high | 235 Ų | 235 | 73.6 Ų | 73.6 | 89% | 0.887 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -82.8 | -29.6 | -173.2 | -177.2 | 176.6 | 176.8 | -174.7 | -1 | 115.1 | D580 | D580-R596 WeakPolarHBondContact CB-O 3.38Š|
| 597 | E | 88.6 | Confident | 91.1 | Very high | 136 Ų | 136 | 70.2 Ų | 70.2 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | trans | -161.7 | 111.6 | -177.7 | -179 | -179.5 | -172.9 | 0 | 0 | 109.6 | N579 L595 | N579-E597 HydrophobicContact CB-CG 4.43Å; N579-E597 CarbonylContact O-C 3.57Å; N579-E597 WeakPolarHBondContact O-CA 3.37Å; L595-E597 WeakPolarHBondContact CD2-O 3.35Å | ||
| 598 | I | 82.3 | Confident | 91.2 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -86.9 | 124.6 | 169.8 | -61.5 | -175.6 | 0 | 0 | 0 | 108.8 | M320 Y329 N579 V581 L595 A601 | M320-I598 HydrophobicContact CE-CD1 3.38Å; M320-I598 HydrophobicContact CE-CG2 4.21Å; M320-I598 HydrophobicContact SD-CB 4.19Å; M320-I598 HydrophobicContact SD-CD1 4.14Å; M320-I598 HydrophobicContact SD-CG2 3.57Å; M320-I598 VanDerWaalsContact SD-CG2 3.57Å; Y329-I598 HydrophobicContact CD1-CD1 3.55Å; Y329-I598 HydrophobicContact CD2-CD1 4.19Å; Y329-I598 HydrophobicContact CE1-CD1 3.72Å; Y329-I598 HydrophobicContact CE2-CD1 4.34Å; Y329-I598 HydrophobicContact CG-CD1 3.8Å; N579-I598 PolarHBondContact O-N 3.14Å; V581-I598 HydrophobicContact CG2-CD1 3.33Å; V581-I598 HydrophobicContact CG2-CG1 4.15Å; L595-I598 HydrophobicContact CD1-CD1 4.19Å; L595-I598 HydrophobicContact CD1-CG1 3.83Å; L595-I598 HydrophobicContact CD2-CG1 3.71Å; L595-I598 HydrophobicContact CG-CG1 4.24Å; I598-A601 HydrophobicContact CB-CB 4.19Å; I598-A601 HydrophobicContact CG2-CB 4.3Å; I598-A601 WeakPolarHBondContact O-CB 3.33Å; I598-A601 PolarHBondContact O-N 3.24Å | ||
| 599 | Q | 76.8 | Confident | 91.2 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 147.3 | 175.8 | -62.2 | -176 | -13.8 | 0 | 0 | 110.2 | A601 | Q599-A601 PolarHBondContact O-N 3.06Š|
| 600 | Y | 74.3 | Confident | 91.1 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 45% | 0.447 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 6.8 | -180 | -45.7 | -85.9 | 0 | 0 | 0 | 116 | S322 V327 F338 M619 | S322-Y600 PolarHBondContact OG-O 2.84Å; S322-Y600 VanDerWaalsContact OG-O 3.11Å; V327-Y600 HydrophobicContact CG2-CD2 4.49Å; V327-Y600 HydrophobicContact CG2-CG 4.49Å; F338-Y600 HydrophobicContact CE1-CD2 4.23Å; F338-Y600 HydrophobicContact CE1-CE2 4.21Å; F338-Y600 HydrophobicContact CE1-CG 4.45Å; F338-Y600 HydrophobicContact CZ-CD2 4.31Å; F338-Y600 AromaticContact CZ-CE2 3.86Å; F338-Y600 HydrophobicContact CZ-CE2 3.86Å; F338-Y600 AromaticContact CZ-CZ 3.95Å; Y600-M619 HydrophobicContact CD2-CE 3.63Å; Y600-M619 HydrophobicContact CE2-CE 3.45Å; Y600-M619 VanDerWaalsContact CE2-CE 3.45Å |
| 601 | A | 80.1 | Confident | 91 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | trans | -88.4 | -2.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | M320 N579 I598 Q599 G603 A604 F606 | M320-A601 HydrophobicContact SD-CB 3.95Å; N579-A601 HydrophobicContact CB-CB 4.07Å; N579-A601 PolarHBondContact OD1-O 3.49Å; N579-A601 VanDerWaalsContact OD1-O 3.13Å; I598-A601 HydrophobicContact CB-CB 4.19Å; I598-A601 HydrophobicContact CG2-CB 4.3Å; I598-A601 WeakPolarHBondContact O-CB 3.33Å; I598-A601 PolarHBondContact O-N 3.24Å; Q599-A601 PolarHBondContact O-N 3.06Å; A601-G603 PolarHBondContact O-N 2.82Å; A601-A604 HydrophobicContact CB-CB 4.45Å; A601-A604 WeakPolarHBondContact O-CB 3.47Å; A601-A604 PolarHBondContact O-N 3.18Å; A601-F606 HydrophobicContact CB-CE1 4.12Å; A601-F606 HydrophobicContact CB-CZ 4.07Å | ||
| 602 | S | 87.2 | Confident | 90.7 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 131.8 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 111 | S322 E577 A604 | S322-S602 WeakPolarHBondContact CB-O 3.41Å; E577-S602 WeakPolarHBondContact OE2-CA 3.33Å; E577-S602 VanDerWaalsContact OE2-CB 3.28Å; E577-S602 WeakPolarHBondContact OE2-CB 3.44Å; E577-S602 PolarHBondContact OE2-OG 2.79Å; S602-A604 PolarHBondContact O-N 2.84Å |
| 603 | G | 87.8 | Confident | 90.5 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 13.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E577 A601 | E577-G603 WeakPolarHBondContact OE1-CA 3.38Å; E577-G603 PolarHBondContact OE1-N 3.04Å; E577-G603 PolarHBondContact OE2-N 2.98Å; A601-G603 PolarHBondContact O-N 2.82Å |
| 604 | A | 93.2 | Very high | 90.2 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | trans | -81.4 | 152 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M320 V321 A601 S602 F606 | M320-A604 HydrophobicContact CB-CB 4.4Å; V321-A604 CarbonylContact O-C 3.5Å; V321-A604 WeakPolarHBondContact O-CA 3.28Å; V321-A604 WeakPolarHBondContact O-CB 3.4Å; A601-A604 HydrophobicContact CB-CB 4.45Å; A601-A604 WeakPolarHBondContact O-CB 3.47Å; A601-A604 PolarHBondContact O-N 3.18Å; S602-A604 PolarHBondContact O-N 2.84Å; A604-F606 HydrophobicContact CB-CE2 4.25Å; A604-F606 HydrophobicContact CB-CZ 4.11Å; A604-F606 VanDerWaalsContact O-CE2 3.28Å; A604-F606 WeakPolarHBondContact O-CE2 3.26Å | ||
| 605 | T | 96.3 | Very high | 90 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 151 | 160.3 | 61.3 | 0 | 0 | 0 | 0 | 110 | M320 V321 H349 S351 | M320-T605 WeakPolarHBondContact CA-O 3.36Å; V321-T605 PolarHBondContact N-O 3.03Å; V321-T605 PolarHBondContact O-N 2.99Å; H349-T605 PolarHBondContact CD2-OG1 3.12Å; H349-T605 WeakPolarHBondContact NE2-CG2 3.43Å; H349-T605 PolarHBondContact NE2-OG1 2.94Å; S351-T605 VanDerWaalsContact CB-OG1 3.27Å; S351-T605 WeakPolarHBondContact CB-OG1 3.42Å; S351-T605 VanDerWaalsContact OG-CB 3.24Å; S351-T605 WeakPolarHBondContact OG-CB 3.47Å; S351-T605 PolarHBondContact OG-OG1 3.46Å |
| 606 | F | 97.1 | Very high | 90 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.3 | -170.1 | -56.4 | -98.2 | 0 | 0 | 0 | 111.6 | I318 F319 M320 S549 V551 L560 A601 A604 | I318-F606 HydrophobicContact CG2-CB 4.43Å; I318-F606 HydrophobicContact CG2-CD1 4.33Å; F319-F606 CarbonylContact O-C 3.58Å; F319-F606 VanDerWaalsContact O-CA 3.26Å; F319-F606 WeakPolarHBondContact O-CA 3.5Å; M320-F606 HydrophobicContact CB-CD1 4.29Å; M320-F606 HydrophobicContact CB-CE1 4.31Å; M320-F606 HydrophobicContact CE-CD1 3.9Å; M320-F606 HydrophobicContact CE-CE1 3.85Å; M320-F606 HydrophobicContact CG-CD1 3.69Å; M320-F606 HydrophobicContact CG-CE1 3.83Å; M320-F606 HydrophobicContact SD-CD1 3.97Å; M320-F606 HydrophobicContact SD-CE1 3.59Å; M320-F606 VanDerWaalsContact SD-CE1 3.59Å; S549-F606 WeakPolarHBondContact OG-CD2 3.3Å; V551-F606 HydrophobicContact CG2-CB 4.06Å; L560-F606 HydrophobicContact CB-CD1 4Å; L560-F606 HydrophobicContact CB-CD2 4.27Å; L560-F606 HydrophobicContact CB-CE1 4.12Å; L560-F606 HydrophobicContact CB-CE2 4.4Å; L560-F606 HydrophobicContact CB-CG 4.07Å; L560-F606 HydrophobicContact CB-CZ 4.33Å; L560-F606 HydrophobicContact CD2-CB 4.5Å; L560-F606 HydrophobicContact CD2-CD1 3.46Å; L560-F606 VanDerWaalsContact CD2-CD1 3.46Å; L560-F606 HydrophobicContact CD2-CE1 3.87Å; L560-F606 HydrophobicContact CD2-CG 4.13Å; L560-F606 HydrophobicContact CG-CD1 4.28Å; A601-F606 HydrophobicContact CB-CE1 4.12Å; A601-F606 HydrophobicContact CB-CZ 4.07Å; A604-F606 HydrophobicContact CB-CE2 4.25Å; A604-F606 HydrophobicContact CB-CZ 4.11Å; A604-F606 VanDerWaalsContact O-CE2 3.28Å; A604-F606 WeakPolarHBondContact O-CE2 3.26Å |
| 607 | L | 96.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144 | -177.8 | -63.6 | 173.6 | 0 | 0 | 0 | 112.1 | F319 S351 V353 I359 V609 | F319-L607 HydrophobicContact CB-CB 4.31Å; F319-L607 PolarHBondContact N-O 2.69Å; F319-L607 PolarHBondContact O-N 2.88Å; S351-L607 WeakPolarHBondContact OG-CD1 3.36Å; S351-L607 WeakPolarHBondContact OG-CG 3.42Å; V353-L607 HydrophobicContact CB-CB 4.47Å; V353-L607 HydrophobicContact CB-CD1 4.24Å; V353-L607 HydrophobicContact CB-CD2 4.5Å; V353-L607 HydrophobicContact CG1-CB 4.4Å; V353-L607 HydrophobicContact CG1-CD2 4.26Å; I359-L607 HydrophobicContact CG2-CD1 3.68Å; L607-V609 HydrophobicContact CB-CG1 3.99Å |
| 608 | P | 97.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 117.8 | 163.2 | 29.4 | -26.6 | 0 | 0 | 0 | 109.5 | V353 V551 L553 | V353-P608 HydrophobicContact CG1-CG 4.36Å; V353-P608 WeakPolarHBondContact CG1-O 3.31Å; V551-P608 HydrophobicContact CG1-CB 3.72Å; V551-P608 HydrophobicContact CG1-CG 4.02Å; L553-P608 HydrophobicContact CD1-CB 3.67Å |
| 609 | V | 97 | Very high | 90.4 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 162.8 | -178.8 | -57.7 | 0 | 0 | 0 | 0 | 111 | D316 L317 F319 V353 I359 L607 L611 | D316-V609 CarbonylContact C-O 3.47Å; D316-V609 WeakPolarHBondContact CA-O 3.49Å; L317-V609 HydrophobicContact CB-CG2 4.31Å; L317-V609 PolarHBondContact N-O 3.34Å; L317-V609 PolarHBondContact O-N 2.86Å; F319-V609 HydrophobicContact CB-CB 4.21Å; F319-V609 HydrophobicContact CB-CG1 3.51Å; F319-V609 HydrophobicContact CB-CG2 3.63Å; F319-V609 HydrophobicContact CD1-CG1 4.3Å; F319-V609 HydrophobicContact CD2-CG2 4.18Å; F319-V609 HydrophobicContact CG-CG1 4.02Å; F319-V609 HydrophobicContact CG-CG2 4.13Å; V353-V609 HydrophobicContact CG2-CG1 4.26Å; I359-V609 HydrophobicContact CD1-CB 4.24Å; I359-V609 HydrophobicContact CD1-CG1 3.62Å; I359-V609 HydrophobicContact CG1-CG1 4Å; L607-V609 HydrophobicContact CB-CG1 3.99Å; V609-L611 HydrophobicContact CB-CG 4.4Å; V609-L611 HydrophobicContact CG2-CD1 3.69Å; V609-L611 HydrophobicContact CG2-CG 3.67Å |
| 610 | R | 94.1 | Very high | 91 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.9 | 167.2 | -50.2 | -163.6 | -54.2 | 137.8 | 13.7 | 109 | E191 L314 Q315 D316 N357 | E191-R610 VanDerWaalsContact CD-NH1 3.25Å; E191-R610 IonicContact OE1-CZ 2.68Å; E191-R610 IonicContact OE1-NH1 2.72Å; E191-R610 PolarHBondContact OE1-NH1 2.75Å; E191-R610 VanDerWaalsContact OE1-NH1 3.1Å; E191-R610 IonicContact OE1-NH2 3.72Å; E191-R610 PolarHBondContact OE1-NH2 3.27Å; E191-R610 IonicContact OE2-CZ 2.69Å; E191-R610 IonicContact OE2-NH1 2.89Å; E191-R610 PolarHBondContact OE2-NH1 3.27Å; E191-R610 IonicContact OE2-NH2 3.03Å; L314-R610 HydrophobicContact CD2-CB 4.17Å; Q315-R610 CarbonylContact O-C 3.5Å; Q315-R610 VanDerWaalsContact O-CA 3.28Å; Q315-R610 WeakPolarHBondContact O-CA 3.44Å; D316-R610 WeakPolarHBondContact OD1-CD 3.44Å; D316-R610 WeakPolarHBondContact OD1-CG 3.11Å; N357-R610 PolarHBondContact ND2-O 3.38Å; N357-R610 PolarHBondContact OD1-N 2.61Å |
| 611 | L | 94.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.2 | -180 | -68.4 | 173.5 | 0 | 0 | 0 | 111 | L314 Q315 L317 F319 A328 A339 Y383 H385 V609 V613 L616 | L314-L611 WeakPolarHBondContact CA-O 3.48Å; Q315-L611 PolarHBondContact N-O 3.15Å; Q315-L611 PolarHBondContact O-N 3.45Å; L317-L611 HydrophobicContact CD1-CB 4.19Å; F319-L611 HydrophobicContact CD2-CD1 3.58Å; F319-L611 HydrophobicContact CE2-CD1 3.6Å; A328-L611 HydrophobicContact CB-CD1 3.98Å; A339-L611 HydrophobicContact CB-CD1 4.43Å; Y383-L611 HydrophobicContact CE1-CD2 4.02Å; H385-L611 VanDerWaalsContact ND1-CD2 3.28Å; H385-L611 WeakPolarHBondContact ND1-CD2 3.26Å; V609-L611 HydrophobicContact CB-CG 4.4Å; V609-L611 HydrophobicContact CG2-CD1 3.69Å; V609-L611 HydrophobicContact CG2-CG 3.67Å; L611-V613 PolarHBondContact O-N 3.25Å; L611-L616 HydrophobicContact CB-CD1 4.04Å; L611-L616 HydrophobicContact CB-CD2 4.44Å; L611-L616 HydrophobicContact CD1-CD1 4.3Å; L611-L616 HydrophobicContact CD1-CD2 4.3Å |
| 612 | N | 92.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 110 | 176.9 | -171.6 | -39.6 | 0 | 0 | 0 | 109.1 | F310 F313 L314 L614 R615 | F310-N612 VanDerWaalsContact CE1-ND2 3.3Å; F310-N612 WeakPolarHBondContact CE1-ND2 3.43Å; F310-N612 PolarHBondContact O-ND2 3.48Å; F313-N612 WeakPolarHBondContact CB-OD1 3.39Å; F313-N612 WeakPolarHBondContact O-CA 3.39Å; L314-N612 HydrophobicContact CD2-CB 4.39Å; L314-N612 HydrophobicContact CG-CB 4.32Å; N612-L614 PolarHBondContact O-N 3.35Å; N612-L614 VanDerWaalsContact O-N 3.07Å; N612-L614 WeakPolarHBondContact OD1-CB 3.37Å; N612-L614 PolarHBondContact OD1-N 3.19Å; N612-R615 HydrophobicContact CB-CG 4.47Å; N612-R615 PolarHBondContact O-N 3.15Å |
| 613 | V | 92.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -62.7 | -18.5 | -174.6 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | F313 Q315 L317 Y337 L611 R615 L616 | F313-V613 HydrophobicContact CB-CG2 4.27Å; F313-V613 PolarHBondContact O-N 2.78Å; F313-V613 VanDerWaalsContact O-N 3.09Å; Q315-V613 HydrophobicContact CB-CG1 4.3Å; Q315-V613 HydrophobicContact CG-CG1 4.21Å; Q315-V613 VanDerWaalsContact OE1-CG1 3.3Å; L317-V613 HydrophobicContact CD1-CG1 4.21Å; Y337-V613 HydrophobicContact CE1-CB 4.46Å; Y337-V613 HydrophobicContact CE2-CG1 4.46Å; L611-V613 PolarHBondContact O-N 3.25Å; V613-R615 VanDerWaalsContact C-N 3.28Å; V613-R615 PolarHBondContact O-N 2.88Å; V613-L616 HydrophobicContact CG1-CD1 4.46Å; V613-L616 PolarHBondContact O-N 2.89Å |
| 614 | L | 90.9 | Very high | 93.2 | Very high | 96 Ų | 96 | 46.6 Ų | 46.6 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -73.5 | -14.7 | 172.8 | -60.7 | -176.5 | 0 | 0 | 0 | 113.9 | F310 F313 N612 | F310-L614 HydrophobicContact CD2-CD1 4.08Å; F310-L614 HydrophobicContact CE2-CB 3.96Å; F310-L614 HydrophobicContact CE2-CD1 4.36Å; F313-L614 HydrophobicContact CB-CD1 4.07Å; F313-L614 HydrophobicContact CB-CG 3.84Å; F313-L614 HydrophobicContact CD1-CD1 3.91Å; F313-L614 HydrophobicContact CD1-CD2 4.03Å; F313-L614 HydrophobicContact CD1-CG 3.84Å; F313-L614 HydrophobicContact CD2-CD1 3.41Å; F313-L614 VanDerWaalsContact CD2-CD1 3.41Å; F313-L614 HydrophobicContact CD2-CG 4.11Å; F313-L614 HydrophobicContact CE1-CD1 4.12Å; F313-L614 HydrophobicContact CE1-CD2 4.25Å; F313-L614 HydrophobicContact CE1-CG 4.36Å; F313-L614 HydrophobicContact CE2-CD1 3.66Å; F313-L614 HydrophobicContact CG-CD1 3.53Å; F313-L614 HydrophobicContact CG-CD2 4.38Å; F313-L614 HydrophobicContact CG-CG 3.68Å; F313-L614 HydrophobicContact CZ-CD1 3.99Å; N612-L614 PolarHBondContact O-N 3.35Å; N612-L614 VanDerWaalsContact O-N 3.07Å; N612-L614 WeakPolarHBondContact OD1-CB 3.37Å; N612-L614 PolarHBondContact OD1-N 3.19Å |
| 615 | R | 89.7 | Confident | 93.2 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -89.7 | -15.4 | 169.9 | -64.5 | -163.2 | 178.9 | -98.3 | -11.6 | 113.2 | D160 F310 H385 L386 N612 V613 | D160-R615 IonicContact OD1-CZ 3.73Å; D160-R615 IonicContact OD1-NH2 3.86Å; D160-R615 PolarHBondContact OD1-NH2 2.62Å; F310-R615 HydrophobicContact CE1-CG 4.49Å; F310-R615 HydrophobicContact CZ-CG 3.66Å; H385-R615 WeakPolarHBondContact O-CD 3.49Å; L386-R615 PolarHBondContact O-NH1 2.61Å; N612-R615 HydrophobicContact CB-CG 4.47Å; N612-R615 PolarHBondContact O-N 3.15Å; V613-R615 VanDerWaalsContact C-N 3.28Å; V613-R615 PolarHBondContact O-N 2.88Å |
| 616 | L | 91.8 | Very high | 93 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -93.7 | 149.9 | -174.7 | -45.2 | -177.7 | 0 | 0 | 0 | 110.4 | L317 A328 Y337 A339 L611 V613 | L317-L616 HydrophobicContact CD1-CD1 3.84Å; A328-L616 HydrophobicContact CB-CD1 3.94Å; Y337-L616 HydrophobicContact CD1-CB 4.2Å; Y337-L616 HydrophobicContact CG-CB 4.18Å; Y337-L616 HydrophobicContact CG-CD1 4.23Å; A339-L616 HydrophobicContact CB-CD2 3.83Å; L611-L616 HydrophobicContact CB-CD1 4.04Å; L611-L616 HydrophobicContact CB-CD2 4.44Å; L611-L616 HydrophobicContact CD1-CD1 4.3Å; L611-L616 HydrophobicContact CD1-CD2 4.3Å; V613-L616 HydrophobicContact CG1-CD1 4.46Å; V613-L616 PolarHBondContact O-N 2.89Å |
| 617 | T | 90.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 59% | 0.589 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.7 | 175.6 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | Y337 F338 | Y337-T617 CarbonylContact C-O 3.48Å; Y337-T617 WeakPolarHBondContact CA-O 3.28Å; F338-T617 PolarHBondContact N-O 3.27Å; F338-T617 PolarHBondContact O-N 3.19Å |
| 618 | K | 90.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 55.8 Ų | 55.8 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 138.9 | 176.9 | -173.4 | 166.3 | -179.2 | 162.5 | 0 | 111.2 | E335 Y337 | E335-K618 IonicContact OE1-NZ 3.31Å; E335-K618 PolarHBondContact OE1-NZ 3.07Å; E335-K618 WeakPolarHBondContact OE2-CE 3.11Å; E335-K618 IonicContact OE2-NZ 2.61Å; E335-K618 PolarHBondContact OE2-NZ 3.47Å; Y337-K618 HydrophobicContact CD1-CB 3.87Å; Y337-K618 HydrophobicContact CD1-CG 4.28Å; Y337-K618 HydrophobicContact CE1-CB 3.99Å; Y337-K618 HydrophobicContact CE1-CD 4.24Å; Y337-K618 HydrophobicContact CE1-CG 4.12Å |
| 619 | M | 86.4 | Confident | 91.9 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 53% | 0.527 | 28% | 0.276 | S | S | . | . | trans | -86.5 | 0 | -178.2 | -63.5 | 179.4 | 61.5 | 0 | 0 | 113.2 | V327 C336 F338 Y600 | V327-M619 HydrophobicContact CG1-SD 3.84Å; V327-M619 HydrophobicContact CG2-SD 4.25Å; C336-M619 HydrophobicContact CB-CB 4.28Å; C336-M619 HydrophobicContact CB-CG 4.24Å; C336-M619 HydrophobicContact CB-SD 3.5Å; C336-M619 WeakPolarHBondContact CB-SD 3.43Å; C336-M619 PolarHBondContact O-N 2.94Å; C336-M619 VanDerWaalsContact O-N 3.08Å; F338-M619 HydrophobicContact CD1-SD 4.41Å; F338-M619 HydrophobicContact CD2-CG 3.54Å; F338-M619 HydrophobicContact CD2-SD 4.18Å; F338-M619 HydrophobicContact CE1-CE 4.14Å; F338-M619 HydrophobicContact CE1-SD 4.34Å; F338-M619 HydrophobicContact CE2-CE 3.89Å; F338-M619 HydrophobicContact CE2-CG 3.66Å; F338-M619 HydrophobicContact CE2-SD 4.11Å; F338-M619 HydrophobicContact CG-CG 4.13Å; F338-M619 HydrophobicContact CG-SD 4.32Å; F338-M619 HydrophobicContact CZ-CE 3.66Å; F338-M619 HydrophobicContact CZ-CG 4.33Å; F338-M619 HydrophobicContact CZ-SD 4.19Å; Y600-M619 HydrophobicContact CD2-CE 3.63Å; Y600-M619 HydrophobicContact CE2-CE 3.45Å; Y600-M619 VanDerWaalsContact CE2-CE 3.45Å |
Retrieved 619 of 619 residues in 244.8 ms
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