| 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 | 38.4 | Very low | 55.5 | Low | 251 Ų | 251 | 102.7 Ų | 102.7 | 100% | 1.236 | 56% | 0.56 | S | S | * | * | 0 | 87.9 | 0 | -66 | -174.6 | -166.6 | 0 | 0 | 107 | |||||
| 2 | A | 29.9 | Very low | 57.8 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | trans | -87.5 | 142.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | N | 34.5 | Very low | 59.7 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 79% | 0.786 | 50% | 0.499 | S | S | * | . | trans | 43.5 | 74.5 | 163.4 | -66.9 | -3.6 | 0 | 0 | 0 | 116.8 | N5 | N3-N5 PolarHBondContact O-N 3.5Š| ||
| 4 | T | 43.4 | Very low | 61.5 | Low | 107 Ų | 107 | 88.8 Ų | 88.8 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | trans | -67.5 | 111.1 | 135.8 | 29.3 | 0 | 0 | 0 | 0 | 105.2 | L6 | T4-L6 PolarHBondContact O-N 3.47Š| ||
| 5 | N | 44.3 | Very low | 62.9 | Low | 141 Ų | 141 | 87 Ų | 87 | 75% | 0.754 | 49% | 0.49 | S | S | * | . | trans | -47.4 | 114.7 | 173.3 | -90.3 | -25.2 | 0 | 0 | 0 | 107.7 | N3 Q7 | N3-N5 PolarHBondContact O-N 3.5Å; N5-Q7 VanDerWaalsContact C-N 3.27Å; N5-Q7 PolarHBondContact O-N 3.3Å | ||
| 6 | L | 55.9 | Low | 63.9 | Low | 86 Ų | 86 | 82.9 Ų | 82.9 | 45% | 0.45 | 47% | 0.468 | S | S | . | . | trans | -63.9 | 96.6 | 171.9 | -89.5 | 140.2 | 0 | 0 | 0 | 106 | T4 F8 S581 R582 | T4-L6 PolarHBondContact O-N 3.47Å; L6-F8 PolarHBondContact O-N 3.25Å; L6-S581 WeakPolarHBondContact CD2-O 3.26Å; L6-R582 HydrophobicContact CD2-CB 4.14Å; L6-R582 HydrophobicContact CD2-CG 4.32Å | ||
| 7 | Q | 64.1 | Low | 65.1 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 54% | 0.537 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -73 | 122.3 | 173 | -76.2 | 178.2 | -29.4 | 0 | 0 | 107.4 | N5 | N5-Q7 VanDerWaalsContact C-N 3.27Å; N5-Q7 PolarHBondContact O-N 3.3Å |
| 8 | F | 69.8 | Low | 66.2 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 39% | 0.39 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 138.5 | 170.3 | -68.5 | -65.4 | 0 | 0 | 0 | 108.8 | L6 Q585 T599 | L6-F8 PolarHBondContact O-N 3.25Å; F8-Q585 HydrophobicContact CD1-CG 4.05Å; F8-T599 HydrophobicContact CD1-CG2 4.43Å; F8-T599 HydrophobicContact CE1-CG2 4.18Å |
| 9 | K | 72.9 | Confident | 67.1 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 132.2 | 174.6 | -56.3 | 177.8 | -175.3 | -107.2 | 0 | 108.7 | Y12 V580 S581 Q585 L597 D625 D642 T644 | K9-Y12 HydrophobicContact CB-CE2 4.35Å; K9-Y12 HydrophobicContact CD-CE1 4.46Å; K9-Y12 HydrophobicContact CD-CE2 4.14Å; K9-Y12 WeakPolarHBondContact CD-OH 3.46Å; K9-V580 HydrophobicContact CD-CG1 3.88Å; K9-S581 WeakPolarHBondContact CE-OG 3.02Å; K9-Q585 VanDerWaalsContact N-OE1 3.08Å; K9-Q585 PolarHBondContact O-NE2 2.92Å; K9-L597 HydrophobicContact CB-CD2 4.39Å; K9-L597 VanDerWaalsContact O-CD2 3.29Å; K9-L597 WeakPolarHBondContact O-CD2 3.46Å; K9-D625 VanDerWaalsContact NZ-C 3.25Å; K9-D625 PolarHBondContact NZ-O 3.18Å; K9-D642 VanDerWaalsContact CD-OD2 3.3Å; K9-D642 WeakPolarHBondContact CD-OD2 3.15Å; K9-D642 WeakPolarHBondContact CE-OD2 3.39Å; K9-D642 WeakPolarHBondContact CG-OD2 3.3Å; K9-D642 IonicContact NZ-OD2 2.63Å; K9-D642 PolarHBondContact NZ-OD2 3.46Å; K9-T644 HydrophobicContact CB-CG2 4.15Å |
| 10 | T | 75.4 | Confident | 67.8 | Low | 58 Ų | 58 | 75.7 Ų | 75.7 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | trans | -104.7 | -36.9 | 178.3 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | V606 K607 T644 | T10-V606 HydrophobicContact CG2-CG1 4.48Å; T10-K607 WeakPolarHBondContact O-CB 3.12Å; T10-T644 WeakPolarHBondContact OG1-CG2 3.48Å | ||
| 11 | N | 81.9 | Confident | 68.6 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | trans | -143.1 | 146.5 | -176 | -159.4 | 15.5 | 0 | 0 | 0 | 113.6 | V643 T644 E647 | N11-V643 PolarHBondContact O-N 3.38Å; N11-T644 VanDerWaalsContact N-CG2 3.26Å; N11-T644 WeakPolarHBondContact O-CG2 3.5Å; N11-E647 WeakPolarHBondContact CB-OE2 3.39Å; N11-E647 PolarHBondContact ND2-OE1 2.93Å | ||
| 12 | Y | 83.2 | Confident | 70.7 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.8 | 170.6 | -78.4 | -83.7 | 0 | 0 | 0 | 108.2 | K9 V580 L597 L609 D625 M628 W640 L641 D642 | K9-Y12 HydrophobicContact CB-CE2 4.35Å; K9-Y12 HydrophobicContact CD-CE1 4.46Å; K9-Y12 HydrophobicContact CD-CE2 4.14Å; K9-Y12 WeakPolarHBondContact CD-OH 3.46Å; Y12-V580 WeakPolarHBondContact OH-CG1 3.5Å; Y12-L597 HydrophobicContact CD2-CD2 4.41Å; Y12-L597 HydrophobicContact CE2-CD2 4.24Å; Y12-L609 HydrophobicContact CD2-CD1 4.42Å; Y12-L609 WeakPolarHBondContact O-CD2 3.33Å; Y12-D625 PolarHBondContact OH-O 3.47Å; Y12-M628 HydrophobicContact CD1-CE 3.81Å; Y12-M628 HydrophobicContact CD1-CG 4.01Å; Y12-M628 HydrophobicContact CD1-SD 4.05Å; Y12-M628 HydrophobicContact CD2-CE 3.71Å; Y12-M628 HydrophobicContact CD2-SD 4.06Å; Y12-M628 HydrophobicContact CE1-CE 4.49Å; Y12-M628 HydrophobicContact CE1-CG 4.07Å; Y12-M628 HydrophobicContact CE1-SD 4.16Å; Y12-M628 HydrophobicContact CE2-CE 4.41Å; Y12-M628 HydrophobicContact CE2-SD 4.17Å; Y12-M628 HydrophobicContact CG-CE 3.35Å; Y12-M628 HydrophobicContact CG-CG 4.48Å; Y12-M628 HydrophobicContact CG-SD 3.99Å; Y12-W640 HydrophobicContact CD1-CB 4.27Å; Y12-L641 CarbonylContact C-O 3.44Å; Y12-L641 WeakPolarHBondContact CA-O 3.5Å; Y12-D642 HydrophobicContact CD1-CB 4.23Å; Y12-D642 HydrophobicContact CE1-CB 3.97Å |
| 13 | A | 82.9 | Confident | 72.9 | Confident | 38 Ų | 38 | 61 Ų | 61 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 149.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S15 W640 L641 V643 | A13-S15 PolarHBondContact O-N 3.49Å; A13-W640 CarbonylContact O-C 3.56Å; A13-W640 VanDerWaalsContact O-CA 3.22Å; A13-W640 WeakPolarHBondContact O-CA 3.35Å; A13-L641 PolarHBondContact N-O 3.38Å; A13-L641 PolarHBondContact O-N 3.28Å; A13-V643 HydrophobicContact CB-CB 4.38Å; A13-V643 HydrophobicContact CB-CG2 3.41Å; A13-V643 VanDerWaalsContact CB-CG2 3.41Å |
| 14 | V | 84.8 | Confident | 74.8 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117.2 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | A611 T638 W640 | V14-A611 HydrophobicContact CG2-CB 4.34Å; V14-T638 HydrophobicContact CG1-CG2 4.44Å; V14-W640 HydrophobicContact CB-CE3 4.49Å; V14-W640 HydrophobicContact CG2-CD2 4.15Å; V14-W640 HydrophobicContact CG2-CE3 3.63Å; V14-W640 HydrophobicContact CG2-CH2 3.67Å; V14-W640 HydrophobicContact CG2-CZ2 4.19Å; V14-W640 HydrophobicContact CG2-CZ3 3.37Å |
| 15 | S | 81.6 | Confident | 76.6 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -46.1 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | A13 V639 L641 | A13-S15 PolarHBondContact O-N 3.49Å; S15-V639 WeakPolarHBondContact CA-O 3.18Å; S15-V639 WeakPolarHBondContact CB-O 3.49Å; S15-V639 PolarHBondContact N-O 3.22Å; S15-L641 VanDerWaalsContact CB-CD1 3.4Å; S15-L641 WeakPolarHBondContact OG-CD1 3.22Å |
| 16 | S | 79.7 | Confident | 78.4 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 144.2 | 178.4 | 61.7 | 0 | 0 | 0 | 0 | 109.7 | V639 | S16-V639 PolarHBondContact N-O 3.34Å; S16-V639 PolarHBondContact O-N 2.86Å; S16-V639 WeakPolarHBondContact OG-CB 3.3Å; S16-V639 WeakPolarHBondContact OG-CG2 3.4Å |
| 17 | K | 84.4 | Confident | 79.7 | Confident | 80 Ų | 80 | 43.2 Ų | 43.2 | 35% | 0.348 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.5 | 173.5 | -167.1 | 172.9 | 174.7 | -156.4 | 0 | 107.9 | E19 N636 I637 T638 | K17-E19 HydrophobicContact CB-CG 4.27Å; K17-E19 HydrophobicContact CD-CG 3.72Å; K17-E19 WeakPolarHBondContact CD-OE1 3.45Å; K17-E19 WeakPolarHBondContact CE-OE1 3.3Å; K17-E19 HydrophobicContact CG-CG 3.59Å; K17-E19 IonicContact NZ-OE1 3.94Å; K17-E19 PolarHBondContact NZ-OE1 2.84Å; K17-N636 WeakPolarHBondContact CE-ND2 3.43Å; K17-N636 PolarHBondContact NZ-ND2 3.27Å; K17-I637 WeakPolarHBondContact CA-O 3.47Å; K17-T638 HydrophobicContact CB-CG2 4.27Å; K17-T638 HydrophobicContact CD-CG2 3.97Å; K17-T638 HydrophobicContact CG-CG2 3.68Å |
| 18 | I | 84.6 | Confident | 80.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 101.3 | 169.9 | -56.3 | 172.2 | 0 | 0 | 0 | 105.1 | I360 F372 I637 | I18-I360 HydrophobicContact CD1-CD1 3.86Å; I18-F372 HydrophobicContact CD1-CB 4.49Å; I18-F372 HydrophobicContact CD1-CD1 4.34Å; I18-F372 HydrophobicContact CD1-CG 4.25Å; I18-F372 HydrophobicContact CG2-CE1 4.42Å; I18-I637 HydrophobicContact CB-CB 4.22Å; I18-I637 PolarHBondContact N-O 3.33Å; I18-I637 PolarHBondContact O-N 3.5Å; I18-I637 VanDerWaalsContact O-N 3.08Å |
| 19 | E | 82.7 | Confident | 81.3 | Confident | 76 Ų | 76 | 36.9 Ų | 36.9 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | trans | -96.5 | 151.5 | -179.1 | -63.1 | -170 | 147.7 | 0 | 0 | 110.9 | K17 F21 I54 | K17-E19 HydrophobicContact CB-CG 4.27Å; K17-E19 HydrophobicContact CD-CG 3.72Å; K17-E19 WeakPolarHBondContact CD-OE1 3.45Å; K17-E19 WeakPolarHBondContact CE-OE1 3.3Å; K17-E19 HydrophobicContact CG-CG 3.59Å; K17-E19 IonicContact NZ-OE1 3.94Å; K17-E19 PolarHBondContact NZ-OE1 2.84Å; E19-F21 PolarHBondContact O-N 3.3Å; E19-I54 HydrophobicContact CB-CD1 3.87Å | ||
| 20 | P | 82.6 | Confident | 81.8 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -64.9 | 120.4 | 169.4 | 29.3 | -34.7 | 0 | 0 | 0 | 109.5 | G342 Y343 N636 | P20-G342 CarbonylContact C-O 3.55Å; P20-G342 VanDerWaalsContact CA-O 3.26Å; P20-G342 WeakPolarHBondContact CA-O 3.29Å; P20-Y343 HydrophobicContact CB-CD2 3.56Å; P20-Y343 HydrophobicContact CB-CE2 3.96Å; P20-N636 WeakPolarHBondContact CD-OD1 3.39Å | ||
| 21 | F | 83.6 | Confident | 81.7 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | trans | -109.2 | -15.4 | -179.3 | 69.3 | -105.7 | 0 | 0 | 0 | 114.9 | E19 C38 N45 L47 I54 I326 L340 V341 G342 | E19-F21 PolarHBondContact O-N 3.3Å; F21-C38 HydrophobicContact CD2-CB 4.11Å; F21-C38 WeakPolarHBondContact O-CB 3.45Å; F21-N45 WeakPolarHBondContact CA-ND2 3.28Å; F21-N45 HydrophobicContact CB-CB 4.22Å; F21-L47 HydrophobicContact CB-CD1 3.9Å; F21-L47 HydrophobicContact CB-CD2 3.78Å; F21-L47 HydrophobicContact CB-CG 4.23Å; F21-L47 HydrophobicContact CD1-CD1 4.49Å; F21-L47 HydrophobicContact CD1-CD2 3.39Å; F21-L47 HydrophobicContact CD2-CD1 3.23Å; F21-L47 HydrophobicContact CD2-CD2 3.73Å; F21-L47 HydrophobicContact CD2-CG 4.08Å; F21-L47 HydrophobicContact CE1-CD2 3.77Å; F21-L47 HydrophobicContact CE2-CD1 3.8Å; F21-L47 HydrophobicContact CE2-CD2 4.11Å; F21-L47 HydrophobicContact CG-CD1 3.64Å; F21-L47 HydrophobicContact CG-CD2 3.35Å; F21-L47 HydrophobicContact CG-CG 4.04Å; F21-L47 HydrophobicContact CZ-CD2 4.12Å; F21-I54 HydrophobicContact CB-CD1 3.96Å; F21-I54 HydrophobicContact CB-CG1 4.09Å; F21-I326 HydrophobicContact CE2-CD1 3.83Å; F21-I326 HydrophobicContact CZ-CD1 4.41Å; F21-L340 HydrophobicContact CE1-CB 4.33Å; F21-L340 HydrophobicContact CZ-CB 3.82Å; F21-V341 WeakPolarHBondContact CE1-O 3.49Å; F21-G342 VanDerWaalsContact CZ-CA 3.4Å; F21-G342 PolarHBondContact N-O 2.86Å | ||
| 22 | Y | 82.1 | Confident | 81.3 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | trans | -138.8 | 113.7 | -178.7 | 178.2 | -122.7 | 0 | 0 | 0 | 110.4 | G24 G25 V27 C38 T39 V320 H324 G342 Y343 | Y22-G24 VanDerWaalsContact CE2-C 3.43Å; Y22-G24 WeakPolarHBondContact CE2-O 3.44Å; Y22-G25 PolarHBondContact OH-O 2.9Å; Y22-G25 VanDerWaalsContact OH-O 3.09Å; Y22-V27 HydrophobicContact CD2-CG2 3.81Å; Y22-V27 HydrophobicContact CE1-CG2 4.13Å; Y22-V27 HydrophobicContact CE2-CG2 3.26Å; Y22-V27 HydrophobicContact CG-CG2 4.43Å; Y22-V27 VanDerWaalsContact CZ-CG2 3.47Å; Y22-C38 HydrophobicContact CD2-CB 3.95Å; Y22-C38 HydrophobicContact CG-CB 4.34Å; Y22-T39 WeakPolarHBondContact CA-O 3.46Å; Y22-T39 WeakPolarHBondContact CD2-O 3.46Å; Y22-V320 HydrophobicContact CD1-CG1 4.39Å; Y22-V320 HydrophobicContact CE1-CG1 3.46Å; Y22-V320 VanDerWaalsContact CE1-CG1 3.46Å; Y22-H324 HydrophobicContact CD1-CB 3.54Å; Y22-H324 HydrophobicContact CE1-CB 3.91Å; Y22-H324 AromaticContact CE1-CD2 3.95Å; Y22-H324 HydrophobicContact CG-CB 4.47Å; Y22-H324 WeakPolarHBondContact O-CB 3.35Å; Y22-G342 PolarHBondContact N-O 2.74Å; Y22-G342 VanDerWaalsContact N-O 3.14Å; Y22-G342 CarbonylContact O-C 3.57Å; Y22-Y343 WeakPolarHBondContact O-CB 3.38Å | ||
| 23 | K | 76.9 | Confident | 81 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -118.4 | 76.1 | 173.2 | -74.7 | -178.4 | 172.1 | 179.1 | 0 | 108.5 | T39 Y343 | K23-T39 PolarHBondContact N-O 3.46Å; K23-Y343 HydrophobicContact CD-CD2 4.26Å; K23-Y343 HydrophobicContact CD-CE2 4.11Å; K23-Y343 HydrophobicContact CG-CD2 3.68Å; K23-Y343 HydrophobicContact CG-CE2 4.04Å; K23-Y343 HydrophobicContact CG-CG 4.23Å |
| 24 | G | 74.7 | Confident | 81 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 59 | -177.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y22 T39 H324 | Y22-G24 VanDerWaalsContact CE2-C 3.43Å; Y22-G24 WeakPolarHBondContact CE2-O 3.44Å; G24-T39 PolarHBondContact O-OG1 3.47Å; G24-H324 WeakPolarHBondContact CA-NE2 3.29Å; G24-H324 PolarHBondContact N-CD2 3.07Å; G24-H324 VanDerWaalsContact N-CD2 3.29Å; G24-H324 PolarHBondContact N-NE2 2.92Å |
| 25 | G | 81.4 | Confident | 81 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 94.7 | -153.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y22 T39 Y307 | Y22-G25 PolarHBondContact OH-O 2.9Å; Y22-G25 VanDerWaalsContact OH-O 3.09Å; G25-T39 WeakPolarHBondContact CA-OG1 3.44Å; G25-Y307 WeakPolarHBondContact O-CE2 3.46Å; G25-Y307 PolarHBondContact O-OH 3.34Å |
| 26 | K | 80.7 | Confident | 81.3 | Confident | 48 Ų | 48 | 44.4 Ų | 44.4 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | trans | -92.8 | 141.5 | -176 | -171.2 | 177.4 | 169.6 | -153.9 | 0 | 109.8 | T39 F69 M112 | K26-T39 PolarHBondContact N-OG1 2.81Å; K26-T39 PolarHBondContact O-OG1 2.93Å; K26-F69 WeakPolarHBondContact CD-O 3.31Å; K26-F69 PolarHBondContact NZ-O 3.14Å; K26-F69 WeakPolarHBondContact O-CE1 3.25Å; K26-F69 WeakPolarHBondContact O-CZ 3.43Å; K26-M112 PolarHBondContact NZ-O 2.89Å | ||
| 27 | V | 84.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.1 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | Y22 I36 F309 V320 I326 | Y22-V27 HydrophobicContact CD2-CG2 3.81Å; Y22-V27 HydrophobicContact CE1-CG2 4.13Å; Y22-V27 HydrophobicContact CE2-CG2 3.26Å; Y22-V27 HydrophobicContact CG-CG2 4.43Å; Y22-V27 VanDerWaalsContact CZ-CG2 3.47Å; V27-I36 HydrophobicContact CG1-CG2 3.68Å; V27-F309 HydrophobicContact CB-CE2 4.14Å; V27-F309 HydrophobicContact CB-CZ 4.39Å; V27-F309 HydrophobicContact CG1-CE2 4.26Å; V27-F309 WeakPolarHBondContact O-CZ 3.38Å; V27-V320 HydrophobicContact CB-CG2 4.17Å; V27-V320 HydrophobicContact CG1-CG2 4.36Å; V27-V320 HydrophobicContact CG2-CG1 4.43Å; V27-V320 HydrophobicContact CG2-CG2 4.07Å; V27-I326 HydrophobicContact CG1-CD1 4.28Å |
| 28 | Q | 83.4 | Confident | 81.5 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | 172.4 | -167.4 | 174.5 | -19.4 | 0 | 0 | 109.5 | F37 F69 V71 | Q28-F37 PolarHBondContact N-O 3.32Å; Q28-F37 VanDerWaalsContact N-O 3.11Å; Q28-F37 PolarHBondContact O-N 2.84Å; Q28-F69 HydrophobicContact CB-CE2 3.84Å; Q28-F69 HydrophobicContact CB-CZ 4.34Å; Q28-V71 PolarHBondContact NE2-O 3.29Å |
| 29 | I | 84.1 | Confident | 81.4 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.1 | 175.6 | -53.7 | 171.4 | 0 | 0 | 0 | 108 | I36 I49 F309 L311 A318 F328 | I29-I36 HydrophobicContact CG1-CG2 4.3Å; I29-I49 HydrophobicContact CG2-CD1 3.88Å; I29-F309 HydrophobicContact CD1-CB 4.13Å; I29-F309 HydrophobicContact CD1-CD2 4.19Å; I29-F309 HydrophobicContact CD1-CG 4.35Å; I29-L311 HydrophobicContact CB-CD2 4.11Å; I29-L311 HydrophobicContact CD1-CD1 4.37Å; I29-L311 HydrophobicContact CD1-CD2 4.02Å; I29-L311 HydrophobicContact CD1-CG 4.48Å; I29-L311 HydrophobicContact CG2-CD2 3.6Å; I29-A318 HydrophobicContact CD1-CB 3.4Å; I29-F328 HydrophobicContact CD1-CE1 4.43Å |
| 30 | S | 82.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -64 | 150.6 | 174.7 | 135.1 | 0 | 0 | 0 | 0 | 110.8 | D32 E33 Y35 D75 | S30-D32 PolarHBondContact O-N 2.9Å; S30-D32 PolarHBondContact OG-N 3.18Å; S30-E33 PolarHBondContact O-N 3.24Å; S30-Y35 PolarHBondContact N-O 3.5Å; S30-D75 WeakPolarHBondContact CA-OD1 3.32Å; S30-D75 VanDerWaalsContact CB-CG 3.49Å; S30-D75 VanDerWaalsContact CB-OD1 3.27Å; S30-D75 WeakPolarHBondContact CB-OD1 3.39Å; S30-D75 VanDerWaalsContact CB-OD2 3.27Å; S30-D75 WeakPolarHBondContact CB-OD2 3.34Å; S30-D75 VanDerWaalsContact OG-CG 3.23Å; S30-D75 PolarHBondContact OG-OD1 3.21Å; S30-D75 PolarHBondContact OG-OD2 3.22Å | ||
| 31 | K | 73.3 | Confident | 81 | Confident | 119 Ų | 119 | 36.7 Ų | 36.7 | 52% | 0.517 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.2 | 178.9 | -73.9 | -170.8 | -171.7 | 167.4 | 0 | 112.6 | E33 C73 D75 | K31-E33 PolarHBondContact O-N 2.94Å; K31-C73 WeakPolarHBondContact CD-O 3.4Å; K31-C73 WeakPolarHBondContact CE-SG 3.5Å; K31-C73 PolarHBondContact NZ-SG 2.86Å; K31-D75 PolarHBondContact N-OD2 3.43Å |
| 32 | D | 73.4 | Confident | 80.8 | Confident | 103 Ų | 103 | 37.2 Ų | 37.2 | 55% | 0.551 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -5.8 | 176.3 | -78.8 | -0.1 | 0 | 0 | 0 | 113 | S30 K34 | S30-D32 PolarHBondContact O-N 2.9Å; S30-D32 PolarHBondContact OG-N 3.18Å; D32-K34 HydrophobicContact CB-CD 4.49Å; D32-K34 PolarHBondContact O-N 3.34Å |
| 33 | E | 77.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 57 | 24 | 177 | -44.9 | -174.9 | 172 | 0 | 0 | 113.7 | S30 K31 I49 L311 A313 S314 | S30-E33 PolarHBondContact O-N 3.24Å; K31-E33 PolarHBondContact O-N 2.94Å; E33-I49 WeakPolarHBondContact O-CD1 3.43Å; E33-L311 HydrophobicContact CB-CD2 4.45Å; E33-L311 HydrophobicContact CG-CB 4.4Å; E33-L311 HydrophobicContact CG-CD2 3.89Å; E33-L311 VanDerWaalsContact OE1-CA 3.26Å; E33-L311 WeakPolarHBondContact OE1-CA 3.46Å; E33-L311 VanDerWaalsContact OE1-CB 3.26Å; E33-L311 WeakPolarHBondContact OE1-CB 3.31Å; E33-A313 HydrophobicContact CG-CB 4.35Å; E33-A313 WeakPolarHBondContact OE1-CA 3.37Å; E33-A313 VanDerWaalsContact OE1-CB 3.3Å; E33-A313 WeakPolarHBondContact OE1-CB 3.5Å; E33-A313 PolarHBondContact OE1-N 3.26Å; E33-S314 PolarHBondContact OE1-N 3.48Å; E33-S314 WeakPolarHBondContact OE2-CB 3.42Å; E33-S314 PolarHBondContact OE2-N 3.13Å; E33-S314 PolarHBondContact OE2-OG 3.21Å |
| 34 | K | 81.6 | Confident | 81.3 | Confident | 119 Ų | 119 | 37.3 Ų | 37.3 | 52% | 0.517 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -94.2 | -37.8 | 175.6 | -70.7 | 174.1 | -174.5 | 165.9 | 0 | 112 | D32 E48 I49 | D32-K34 HydrophobicContact CB-CD 4.49Å; D32-K34 PolarHBondContact O-N 3.34Å; K34-E48 CarbonylContact O-C 3.57Å; K34-E48 WeakPolarHBondContact O-CA 3.41Å; K34-I49 PolarHBondContact O-N 3.13Å |
| 35 | Y | 86.1 | Confident | 81.8 | Confident | 61 Ų | 61 | 36.9 Ų | 36.9 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 143.1 | -171.4 | -55.5 | -73.1 | 0 | 0 | 0 | 113.3 | S30 V46 L47 E48 V55 W92 | S30-Y35 PolarHBondContact N-O 3.5Å; Y35-V46 HydrophobicContact CD1-CG1 4.11Å; Y35-V46 HydrophobicContact CG-CG1 4.25Å; Y35-L47 CarbonylContact C-O 3.58Å; Y35-L47 WeakPolarHBondContact CA-O 3.37Å; Y35-E48 HydrophobicContact CD1-CB 4.43Å; Y35-E48 HydrophobicContact CE1-CB 4.4Å; Y35-V55 HydrophobicContact CE1-CG2 4.19Å; Y35-W92 AromaticContact CD2-CH2 3.72Å; Y35-W92 HydrophobicContact CD2-CH2 3.72Å; Y35-W92 HydrophobicContact CD2-CZ2 4.46Å; Y35-W92 AromaticContact CE2-CH2 3.8Å; Y35-W92 HydrophobicContact CE2-CH2 3.8Å; Y35-W92 HydrophobicContact CG-CH2 4.19Å |
| 36 | I | 86.5 | Confident | 82 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.6 | 168.8 | -45.7 | 176.9 | 0 | 0 | 0 | 108.1 | V27 I29 C38 V46 L47 I49 I326 F328 L340 | V27-I36 HydrophobicContact CG1-CG2 3.68Å; I29-I36 HydrophobicContact CG1-CG2 4.3Å; I36-C38 VanDerWaalsContact CG2-SG 3.57Å; I36-V46 CarbonylContact O-C 3.53Å; I36-V46 WeakPolarHBondContact O-CA 3.31Å; I36-L47 HydrophobicContact CB-CB 4.4Å; I36-L47 PolarHBondContact N-O 3.34Å; I36-L47 PolarHBondContact O-N 2.9Å; I36-I49 HydrophobicContact CD1-CG1 3.84Å; I36-I49 HydrophobicContact CG1-CD1 3.87Å; I36-I49 HydrophobicContact CG1-CG1 3.44Å; I36-I49 VanDerWaalsContact CG1-CG1 3.44Å; I36-I326 HydrophobicContact CD1-CD1 4.19Å; I36-I326 HydrophobicContact CD1-CG2 4.45Å; I36-I326 HydrophobicContact CG2-CD1 4.12Å; I36-F328 HydrophobicContact CD1-CE2 4.2Å; I36-F328 HydrophobicContact CD1-CZ 3.65Å; I36-L340 HydrophobicContact CD1-CD1 4Å |
| 37 | F | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.9 | 171.4 | -60.9 | -98.7 | 0 | 0 | 0 | 108.4 | Q28 V44 V46 F69 V71 L78 W92 | Q28-F37 PolarHBondContact N-O 3.32Å; Q28-F37 VanDerWaalsContact N-O 3.11Å; Q28-F37 PolarHBondContact O-N 2.84Å; F37-V44 HydrophobicContact CB-CG1 4.45Å; F37-V46 HydrophobicContact CD1-CB 4.45Å; F37-V46 HydrophobicContact CD1-CG1 4.3Å; F37-V46 HydrophobicContact CD1-CG2 3.63Å; F37-V46 HydrophobicContact CE1-CB 4.37Å; F37-V46 HydrophobicContact CE1-CG1 3.93Å; F37-V46 HydrophobicContact CE1-CG2 3.57Å; F37-V46 HydrophobicContact CZ-CG1 4.15Å; F37-F69 HydrophobicContact CB-CD2 4.38Å; F37-F69 HydrophobicContact CB-CE2 3.44Å; F37-F69 VanDerWaalsContact CB-CE2 3.44Å; F37-F69 HydrophobicContact CB-CZ 3.71Å; F37-F69 HydrophobicContact CG-CE2 4.45Å; F37-F69 VanDerWaalsContact O-CZ 3.31Å; F37-F69 WeakPolarHBondContact O-CZ 3.19Å; F37-V71 HydrophobicContact CB-CG2 4.13Å; F37-V71 HydrophobicContact CD1-CG2 3.8Å; F37-V71 HydrophobicContact CD2-CB 4.49Å; F37-V71 HydrophobicContact CD2-CG1 4.43Å; F37-V71 HydrophobicContact CD2-CG2 3.61Å; F37-V71 HydrophobicContact CE1-CG2 4.06Å; F37-V71 HydrophobicContact CE2-CB 4.45Å; F37-V71 HydrophobicContact CE2-CG1 3.92Å; F37-V71 HydrophobicContact CE2-CG2 3.87Å; F37-V71 HydrophobicContact CG-CG2 3.57Å; F37-V71 HydrophobicContact CZ-CG1 4.03Å; F37-V71 HydrophobicContact CZ-CG2 4.1Å; F37-L78 HydrophobicContact CD1-CD1 4.26Å; F37-W92 AromaticContact CE1-CD2 3.99Å; F37-W92 HydrophobicContact CE1-CD2 3.99Å; F37-W92 HydrophobicContact CE1-CE3 4.48Å; F37-W92 AromaticContact CE1-CG 3.99Å; F37-W92 HydrophobicContact CE1-CG 3.99Å; F37-W92 HydrophobicContact CZ-CD2 4.04Å; F37-W92 AromaticContact CZ-CE2 3.82Å; F37-W92 HydrophobicContact CZ-CG 4.36Å; F37-W92 HydrophobicContact CZ-CZ2 4.15Å |
| 38 | C | 83.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.1 | -176.6 | -67.9 | 0 | 0 | 0 | 0 | 110.5 | F21 Y22 I36 V44 N45 L47 | F21-C38 HydrophobicContact CD2-CB 4.11Å; F21-C38 WeakPolarHBondContact O-CB 3.45Å; Y22-C38 HydrophobicContact CD2-CB 3.95Å; Y22-C38 HydrophobicContact CG-CB 4.34Å; I36-C38 VanDerWaalsContact CG2-SG 3.57Å; C38-V44 CarbonylContact O-C 3.52Å; C38-V44 WeakPolarHBondContact O-CA 3.38Å; C38-N45 PolarHBondContact N-O 3.23Å; C38-N45 PolarHBondContact O-N 2.86Å; C38-L47 HydrophobicContact CB-CD1 4.09Å |
| 39 | T | 82.8 | Confident | 82 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.7 | 170.5 | 37.3 | 0 | 0 | 0 | 0 | 111.9 | Y22 K23 G24 G25 K26 I66 F69 | Y22-T39 WeakPolarHBondContact CA-O 3.46Å; Y22-T39 WeakPolarHBondContact CD2-O 3.46Å; K23-T39 PolarHBondContact N-O 3.46Å; G24-T39 PolarHBondContact O-OG1 3.47Å; G25-T39 WeakPolarHBondContact CA-OG1 3.44Å; K26-T39 PolarHBondContact N-OG1 2.81Å; K26-T39 PolarHBondContact O-OG1 2.93Å; T39-I66 HydrophobicContact CG2-CB 4.44Å; T39-I66 HydrophobicContact CG2-CG2 4.11Å; T39-F69 HydrophobicContact CG2-CD1 3.42Å; T39-F69 VanDerWaalsContact CG2-CD1 3.42Å; T39-F69 HydrophobicContact CG2-CE1 3.52Å |
| 40 | C | 76.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 11% | 0.108 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 82.8 | 171.9 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | S42 R43 | C40-S42 PolarHBondContact O-N 2.97Å; C40-S42 VanDerWaalsContact O-N 3.1Å; C40-R43 PolarHBondContact N-O 3.26Å; C40-R43 PolarHBondContact O-N 3.47Å |
| 41 | G | 79.7 | Confident | 81.1 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 27% | 0.268 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -111.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R43 I66 | G41-R43 VanDerWaalsContact C-N 3.33Å; G41-I66 PolarHBondContact O-N 3.17Å |
| 42 | S | 79.4 | Confident | 80.9 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | C40 H60 E64 I66 | C40-S42 PolarHBondContact O-N 2.97Å; C40-S42 VanDerWaalsContact O-N 3.1Å; S42-H60 PolarHBondContact O-N 3.48Å; S42-E64 WeakPolarHBondContact CA-O 3.49Å; S42-E64 WeakPolarHBondContact CB-O 3.25Å; S42-I66 WeakPolarHBondContact O-CD1 3.38Å |
| 43 | R | 84.4 | Confident | 80.9 | Confident | 105 Ų | 105 | 33 Ų | 33 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.6 | -173.8 | -61.3 | 172.7 | -177.1 | -165.6 | -5.1 | 111.8 | C40 G41 V58 E59 | C40-R43 PolarHBondContact N-O 3.26Å; C40-R43 PolarHBondContact O-N 3.47Å; G41-R43 VanDerWaalsContact C-N 3.33Å; R43-V58 CarbonylContact C-O 3.55Å; R43-V58 WeakPolarHBondContact CA-O 3.36Å; R43-E59 HydrophobicContact CG-CB 3.93Å; R43-E59 HydrophobicContact CG-CG 3.8Å; R43-E59 IonicContact CZ-OE1 3.52Å; R43-E59 VanDerWaalsContact CZ-OE1 3.23Å; R43-E59 IonicContact CZ-OE2 2.92Å; R43-E59 VanDerWaalsContact CZ-OE2 3.27Å; R43-E59 IonicContact NE-OE1 3.24Å; R43-E59 PolarHBondContact NE-OE1 3.38Å; R43-E59 IonicContact NE-OE2 2.59Å; R43-E59 PolarHBondContact NE-OE2 3.03Å; R43-E59 VanDerWaalsContact NH2-CD 3.29Å; R43-E59 IonicContact NH2-OE1 2.77Å; R43-E59 PolarHBondContact NH2-OE1 3.28Å; R43-E59 IonicContact NH2-OE2 3.93Å; R43-E59 PolarHBondContact NH2-OE2 3.11Å |
| 44 | V | 84.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118 | 163.6 | -174 | 0 | 0 | 0 | 0 | 108.8 | F37 C38 V58 I66 F69 L78 T80 | F37-V44 HydrophobicContact CB-CG1 4.45Å; C38-V44 CarbonylContact O-C 3.52Å; C38-V44 WeakPolarHBondContact O-CA 3.38Å; V44-V58 HydrophobicContact CB-CB 4.43Å; V44-V58 PolarHBondContact N-O 2.97Å; V44-V58 PolarHBondContact O-N 3.24Å; V44-I66 HydrophobicContact CG2-CD1 3.39Å; V44-F69 HydrophobicContact CG1-CD1 4.43Å; V44-F69 HydrophobicContact CG1-CE1 4.46Å; V44-F69 HydrophobicContact CG2-CD1 4.34Å; V44-L78 HydrophobicContact CB-CD2 4.4Å; V44-L78 HydrophobicContact CG1-CD2 4.17Å; V44-T80 HydrophobicContact CG2-CG2 3.79Å |
| 45 | N | 85.5 | Confident | 80.8 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 130.2 | 178.6 | -68.4 | -10.6 | 0 | 0 | 0 | 110.1 | F21 C38 I54 C57 | F21-N45 WeakPolarHBondContact CA-ND2 3.28Å; F21-N45 HydrophobicContact CB-CB 4.22Å; C38-N45 PolarHBondContact N-O 3.23Å; C38-N45 PolarHBondContact O-N 2.86Å; N45-I54 HydrophobicContact CB-CG2 4.29Å; N45-C57 PolarHBondContact OD1-SG 2.83Å |
| 46 | V | 86.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.4 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | Y35 I36 F37 V55 H56 W92 | Y35-V46 HydrophobicContact CD1-CG1 4.11Å; Y35-V46 HydrophobicContact CG-CG1 4.25Å; I36-V46 CarbonylContact O-C 3.53Å; I36-V46 WeakPolarHBondContact O-CA 3.31Å; F37-V46 HydrophobicContact CD1-CB 4.45Å; F37-V46 HydrophobicContact CD1-CG1 4.3Å; F37-V46 HydrophobicContact CD1-CG2 3.63Å; F37-V46 HydrophobicContact CE1-CB 4.37Å; F37-V46 HydrophobicContact CE1-CG1 3.93Å; F37-V46 HydrophobicContact CE1-CG2 3.57Å; F37-V46 HydrophobicContact CZ-CG1 4.15Å; V46-V55 PolarHBondContact O-N 3.45Å; V46-H56 HydrophobicContact CB-CB 4.28Å; V46-H56 HydrophobicContact CG2-CB 4.26Å; V46-H56 PolarHBondContact N-O 2.84Å; V46-W92 HydrophobicContact CG1-CE3 4.07Å; V46-W92 HydrophobicContact CG1-CZ3 4Å; V46-W92 HydrophobicContact CG2-CE3 4.32Å |
| 47 | L | 83.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.8 | -179 | -63.3 | 111.1 | 0 | 0 | 0 | 111.4 | F21 Y35 I36 C38 K53 I54 | F21-L47 HydrophobicContact CB-CD1 3.9Å; F21-L47 HydrophobicContact CB-CD2 3.78Å; F21-L47 HydrophobicContact CB-CG 4.23Å; F21-L47 HydrophobicContact CD1-CD1 4.49Å; F21-L47 HydrophobicContact CD1-CD2 3.39Å; F21-L47 HydrophobicContact CD2-CD1 3.23Å; F21-L47 HydrophobicContact CD2-CD2 3.73Å; F21-L47 HydrophobicContact CD2-CG 4.08Å; F21-L47 HydrophobicContact CE1-CD2 3.77Å; F21-L47 HydrophobicContact CE2-CD1 3.8Å; F21-L47 HydrophobicContact CE2-CD2 4.11Å; F21-L47 HydrophobicContact CG-CD1 3.64Å; F21-L47 HydrophobicContact CG-CD2 3.35Å; F21-L47 HydrophobicContact CG-CG 4.04Å; F21-L47 HydrophobicContact CZ-CD2 4.12Å; Y35-L47 CarbonylContact C-O 3.58Å; Y35-L47 WeakPolarHBondContact CA-O 3.37Å; I36-L47 HydrophobicContact CB-CB 4.4Å; I36-L47 PolarHBondContact N-O 3.34Å; I36-L47 PolarHBondContact O-N 2.9Å; C38-L47 HydrophobicContact CB-CD1 4.09Å; L47-K53 WeakPolarHBondContact CA-O 3.45Å; L47-I54 HydrophobicContact CD2-CG1 4.01Å; L47-I54 HydrophobicContact CG-CG1 4.32Å |
| 48 | E | 84.1 | Confident | 79.6 | Confident | 62 Ų | 62 | 34.4 Ų | 34.4 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.6 | 166.4 | -172.8 | -175 | -158 | 0 | 0 | 110.5 | K34 Y35 S50 T51 G52 K53 V55 | K34-E48 CarbonylContact O-C 3.57Å; K34-E48 WeakPolarHBondContact O-CA 3.41Å; Y35-E48 HydrophobicContact CD1-CB 4.43Å; Y35-E48 HydrophobicContact CE1-CB 4.4Å; E48-S50 VanDerWaalsContact CD-OG 3.22Å; E48-S50 WeakPolarHBondContact CG-OG 3.28Å; E48-S50 PolarHBondContact O-N 2.98Å; E48-S50 PolarHBondContact OE1-OG 3.46Å; E48-T51 VanDerWaalsContact OE2-CG2 3.23Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.41Å; E48-T51 PolarHBondContact OE2-OG1 3.48Å; E48-G52 VanDerWaalsContact O-CA 3.27Å; E48-G52 WeakPolarHBondContact O-CA 3.44Å; E48-G52 PolarHBondContact O-N 2.92Å; E48-K53 PolarHBondContact N-O 2.94Å; E48-V55 HydrophobicContact CB-CG2 3.92Å |
| 49 | I | 79.9 | Confident | 79.2 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -38 | -175.2 | -69.2 | 167.6 | 0 | 0 | 0 | 112.1 | I29 E33 K34 I36 F328 Q338 | I29-I49 HydrophobicContact CG2-CD1 3.88Å; E33-I49 WeakPolarHBondContact O-CD1 3.43Å; K34-I49 PolarHBondContact O-N 3.13Å; I36-I49 HydrophobicContact CD1-CG1 3.84Å; I36-I49 HydrophobicContact CG1-CD1 3.87Å; I36-I49 HydrophobicContact CG1-CG1 3.44Å; I36-I49 VanDerWaalsContact CG1-CG1 3.44Å; I49-F328 HydrophobicContact CD1-CZ 4.39Å; I49-F328 HydrophobicContact CG1-CZ 4.14Å; I49-F328 HydrophobicContact CG2-CE1 4.36Å; I49-F328 HydrophobicContact CG2-CE2 4.17Å; I49-F328 HydrophobicContact CG2-CZ 3.92Å; I49-Q338 PolarHBondContact O-NE2 3.12Å; I49-Q338 PolarHBondContact O-OE1 3.45Å |
| 50 | S | 76.9 | Confident | 78.5 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -39.2 | -175.6 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | E48 | E48-S50 VanDerWaalsContact CD-OG 3.22Å; E48-S50 WeakPolarHBondContact CG-OG 3.28Å; E48-S50 PolarHBondContact O-N 2.98Å; E48-S50 PolarHBondContact OE1-OG 3.46Å |
| 51 | T | 70.8 | Confident | 77.9 | Confident | 42 Ų | 42 | 44 Ų | 44 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -16.7 | -174.8 | 62 | 0 | 0 | 0 | 0 | 112.9 | E48 K53 T376 | E48-T51 VanDerWaalsContact OE2-CG2 3.23Å; E48-T51 WeakPolarHBondContact OE2-CG2 3.41Å; E48-T51 PolarHBondContact OE2-OG1 3.48Å; T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 PolarHBondContact OG1-N 3.43Å; T51-T376 CarbonylContact C-O 3.58Å |
| 52 | G | 69.9 | Low | 77.1 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | trans | 61.7 | 18.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E48 | E48-G52 VanDerWaalsContact O-CA 3.27Å; E48-G52 WeakPolarHBondContact O-CA 3.44Å; E48-G52 PolarHBondContact O-N 2.92Å | ||
| 53 | K | 73.2 | Confident | 76.4 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | trans | -95.4 | 147.2 | -179.7 | -69.3 | -175.3 | 179.7 | -178 | 0 | 110.9 | L47 E48 T51 V55 | L47-K53 WeakPolarHBondContact CA-O 3.45Å; E48-K53 PolarHBondContact N-O 2.94Å; T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 PolarHBondContact OG1-N 3.43Å; K53-V55 PolarHBondContact O-N 3.25Å | ||
| 54 | I | 77.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 119.5 | 171.3 | -56.1 | 170.5 | 0 | 0 | 0 | 107.4 | E19 F21 N45 L47 | E19-I54 HydrophobicContact CB-CD1 3.87Å; F21-I54 HydrophobicContact CB-CD1 3.96Å; F21-I54 HydrophobicContact CB-CG1 4.09Å; N45-I54 HydrophobicContact CB-CG2 4.29Å; L47-I54 HydrophobicContact CD2-CG1 4.01Å; L47-I54 HydrophobicContact CG-CG1 4.32Å |
| 55 | V | 79.4 | Confident | 75.6 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 38% | 0.376 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -45.8 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 110 | Y35 V46 E48 K53 | Y35-V55 HydrophobicContact CE1-CG2 4.19Å; V46-V55 PolarHBondContact O-N 3.45Å; E48-V55 HydrophobicContact CB-CG2 3.92Å; K53-V55 PolarHBondContact O-N 3.25Å |
| 56 | H | 75.3 | Confident | 75.5 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.9 | 177.5 | -72.5 | -70 | 0 | 0 | 0 | 110.6 | V46 R93 | V46-H56 HydrophobicContact CB-CB 4.28Å; V46-H56 HydrophobicContact CG2-CB 4.26Å; V46-H56 PolarHBondContact N-O 2.84Å; H56-R93 PolarHBondContact NE2-O 3.31Å |
| 57 | C | 77.3 | Confident | 75.2 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117.2 | 170.1 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | N45 | N45-C57 PolarHBondContact OD1-SG 2.83Å |
| 58 | V | 81.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.3 | 175.1 | 179 | 0 | 0 | 0 | 0 | 107.2 | R43 V44 L78 W90 W92 | R43-V58 CarbonylContact C-O 3.55Å; R43-V58 WeakPolarHBondContact CA-O 3.36Å; V44-V58 HydrophobicContact CB-CB 4.43Å; V44-V58 PolarHBondContact N-O 2.97Å; V44-V58 PolarHBondContact O-N 3.24Å; V58-L78 HydrophobicContact CG2-CD2 4.24Å; V58-W90 HydrophobicContact CG1-CD2 3.35Å; V58-W90 VanDerWaalsContact CG1-CE2 3.44Å; V58-W90 HydrophobicContact CG1-CE3 3.59Å; V58-W90 HydrophobicContact CG1-CG 3.77Å; V58-W90 HydrophobicContact CG1-CH2 4.01Å; V58-W90 HydrophobicContact CG1-CZ2 3.79Å; V58-W90 HydrophobicContact CG1-CZ3 3.91Å; V58-W92 HydrophobicContact CG2-CB 4.49Å |
| 59 | E | 74.7 | Confident | 75.3 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.2 | 179.6 | -174.2 | 160.8 | -152.1 | 0 | 0 | 110.6 | R43 W90 | R43-E59 HydrophobicContact CG-CB 3.93Å; R43-E59 HydrophobicContact CG-CG 3.8Å; R43-E59 IonicContact CZ-OE1 3.52Å; R43-E59 VanDerWaalsContact CZ-OE1 3.23Å; R43-E59 IonicContact CZ-OE2 2.92Å; R43-E59 VanDerWaalsContact CZ-OE2 3.27Å; R43-E59 IonicContact NE-OE1 3.24Å; R43-E59 PolarHBondContact NE-OE1 3.38Å; R43-E59 IonicContact NE-OE2 2.59Å; R43-E59 PolarHBondContact NE-OE2 3.03Å; R43-E59 VanDerWaalsContact NH2-CD 3.29Å; R43-E59 IonicContact NH2-OE1 2.77Å; R43-E59 PolarHBondContact NH2-OE1 3.28Å; R43-E59 IonicContact NH2-OE2 3.93Å; R43-E59 PolarHBondContact NH2-OE2 3.11Å; E59-W90 WeakPolarHBondContact O-CH2 3.42Å |
| 60 | H | 68.7 | Low | 75.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | trans | -83.7 | 128.6 | 166.6 | -77.4 | -114.4 | 0 | 0 | 0 | 109.8 | S42 D62 Q63 T80 K88 W90 | S42-H60 PolarHBondContact O-N 3.48Å; H60-D62 PolarHBondContact O-N 3.37Å; H60-Q63 PolarHBondContact O-N 3.23Å; H60-T80 PolarHBondContact CE1-OG1 3.01Å; H60-T80 WeakPolarHBondContact NE2-CB 3.34Å; H60-T80 PolarHBondContact NE2-OG1 3.33Å; H60-K88 VanDerWaalsContact CE1-CD 3.46Å; H60-K88 WeakPolarHBondContact CE1-CD 3.47Å; H60-K88 WeakPolarHBondContact ND1-CD 3.41Å; H60-K88 WeakPolarHBondContact ND1-CE 3.48Å; H60-K88 PolarHBondContact ND1-NZ 2.65Å; H60-W90 AromaticContact NE2-NE1 3.94Å | ||
| 61 | D | 64.4 | Low | 76 | Confident | 147 Ų | 147 | 52.6 Ų | 52.6 | 79% | 0.786 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -24.9 | 173.5 | -59.4 | -32.4 | 0 | 0 | 0 | 113.4 | Q63 | D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.41Å |
| 62 | D | 61.9 | Low | 76.6 | Confident | 83 Ų | 83 | 50.7 Ų | 50.7 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.5 | -173.1 | -51.3 | -53.3 | 0 | 0 | 0 | 113.7 | H60 E64 K88 | H60-D62 PolarHBondContact O-N 3.37Å; D62-E64 PolarHBondContact O-N 3.03Å; D62-K88 IonicContact OD2-NZ 3.87Å; D62-K88 PolarHBondContact OD2-NZ 3.27Å |
| 63 | Q | 64.6 | Low | 76.8 | Confident | 161 Ų | 161 | 51.5 Ų | 51.5 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | trans | 54 | 4.6 | -175.6 | -63.7 | -173.9 | -5.3 | 0 | 0 | 116.2 | H60 D61 | H60-Q63 PolarHBondContact O-N 3.23Å; D61-Q63 VanDerWaalsContact C-N 3.28Å; D61-Q63 PolarHBondContact O-N 3.41Å | ||
| 64 | E | 74.9 | Confident | 76.9 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 149.2 | 178.9 | -68.2 | -166.3 | 180 | 0 | 0 | 113 | S42 D62 A84 | S42-E64 WeakPolarHBondContact CA-O 3.49Å; S42-E64 WeakPolarHBondContact CB-O 3.25Å; D62-E64 PolarHBondContact O-N 3.03Å; E64-A84 WeakPolarHBondContact OE2-CA 3.47Å; E64-A84 WeakPolarHBondContact OE2-CB 3.44Å; E64-A84 PolarHBondContact OE2-N 3.14Å |
| 65 | D | 77.7 | Confident | 76.8 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.6 | 179.2 | -66.3 | -37.9 | 0 | 0 | 0 | 112.6 | R83 | D65-R83 PolarHBondContact O-N 2.78Š|
| 66 | I | 83 | Confident | 76.8 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.4 | 173.4 | -59.8 | 179.9 | 0 | 0 | 0 | 108.3 | T39 G41 S42 V44 A81 | T39-I66 HydrophobicContact CG2-CB 4.44Å; T39-I66 HydrophobicContact CG2-CG2 4.11Å; G41-I66 PolarHBondContact O-N 3.17Å; S42-I66 WeakPolarHBondContact O-CD1 3.38Å; V44-I66 HydrophobicContact CG2-CD1 3.39Å; I66-A81 CarbonylContact C-O 3.55Å; I66-A81 WeakPolarHBondContact CA-O 3.26Å; I66-A81 WeakPolarHBondContact CG2-O 3.42Å |
| 67 | T | 81 | Confident | 77.2 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 31% | 0.307 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -39.1 | -179 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | A81 R83 P108 V109 | T67-A81 PolarHBondContact N-O 3.44Å; T67-A81 PolarHBondContact OG1-O 3.1Å; T67-R83 HydrophobicContact CG2-CB 4.16Å; T67-P108 HydrophobicContact CG2-CB 4.07Å; T67-V109 WeakPolarHBondContact CB-O 3.3Å; T67-V109 PolarHBondContact OG1-O 3.49Å |
| 68 | S | 80.9 | Confident | 77.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 158.1 | 176.3 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | A81 V109 M112 | S68-A81 WeakPolarHBondContact O-CB 3.38Å; S68-A81 PolarHBondContact O-N 3.02Å; S68-V109 PolarHBondContact OG-O 3.39Å; S68-M112 VanDerWaalsContact C-CE 3.4Å; S68-M112 WeakPolarHBondContact O-CE 3.38Å |
| 69 | F | 88.9 | Confident | 78 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 163.5 | 167.5 | 70.7 | -92.6 | 0 | 0 | 0 | 110.5 | K26 Q28 F37 T39 V44 V71 L78 V79 T80 | K26-F69 WeakPolarHBondContact CD-O 3.31Å; K26-F69 PolarHBondContact NZ-O 3.14Å; K26-F69 WeakPolarHBondContact O-CE1 3.25Å; K26-F69 WeakPolarHBondContact O-CZ 3.43Å; Q28-F69 HydrophobicContact CB-CE2 3.84Å; Q28-F69 HydrophobicContact CB-CZ 4.34Å; F37-F69 HydrophobicContact CB-CD2 4.38Å; F37-F69 HydrophobicContact CB-CE2 3.44Å; F37-F69 VanDerWaalsContact CB-CE2 3.44Å; F37-F69 HydrophobicContact CB-CZ 3.71Å; F37-F69 HydrophobicContact CG-CE2 4.45Å; F37-F69 VanDerWaalsContact O-CZ 3.31Å; F37-F69 WeakPolarHBondContact O-CZ 3.19Å; T39-F69 HydrophobicContact CG2-CD1 3.42Å; T39-F69 VanDerWaalsContact CG2-CD1 3.42Å; T39-F69 HydrophobicContact CG2-CE1 3.52Å; V44-F69 HydrophobicContact CG1-CD1 4.43Å; V44-F69 HydrophobicContact CG1-CE1 4.46Å; V44-F69 HydrophobicContact CG2-CD1 4.34Å; F69-V71 HydrophobicContact CD2-CG2 4.19Å; F69-V71 HydrophobicContact CE2-CG2 4.18Å; F69-L78 HydrophobicContact CB-CD1 4.2Å; F69-L78 HydrophobicContact CD2-CD1 3.71Å; F69-L78 HydrophobicContact CG-CD1 4.24Å; F69-V79 CarbonylContact C-O 3.56Å; F69-V79 WeakPolarHBondContact CA-O 3.41Å; F69-V79 WeakPolarHBondContact CB-O 3.25Å; F69-T80 HydrophobicContact CB-CG2 4.12Å |
| 70 | A | 85.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 142.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109 | V79 M112 F114 L121 | A70-V79 PolarHBondContact N-O 3.5Å; A70-V79 PolarHBondContact O-N 3.25Å; A70-M112 HydrophobicContact CB-CB 3.92Å; A70-F114 HydrophobicContact CB-CD2 3.6Å; A70-F114 HydrophobicContact CB-CE2 3.67Å; A70-F114 WeakPolarHBondContact O-CE2 3.31Å; A70-L121 HydrophobicContact CB-CD1 4.06Å |
| 71 | V | 86.9 | Confident | 79.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.8 | 173.6 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | Q28 F37 F69 L78 F114 | Q28-V71 PolarHBondContact NE2-O 3.29Å; F37-V71 HydrophobicContact CB-CG2 4.13Å; F37-V71 HydrophobicContact CD1-CG2 3.8Å; F37-V71 HydrophobicContact CD2-CB 4.49Å; F37-V71 HydrophobicContact CD2-CG1 4.43Å; F37-V71 HydrophobicContact CD2-CG2 3.61Å; F37-V71 HydrophobicContact CE1-CG2 4.06Å; F37-V71 HydrophobicContact CE2-CB 4.45Å; F37-V71 HydrophobicContact CE2-CG1 3.92Å; F37-V71 HydrophobicContact CE2-CG2 3.87Å; F37-V71 HydrophobicContact CG-CG2 3.57Å; F37-V71 HydrophobicContact CZ-CG1 4.03Å; F37-V71 HydrophobicContact CZ-CG2 4.1Å; F69-V71 HydrophobicContact CD2-CG2 4.19Å; F69-V71 HydrophobicContact CE2-CG2 4.18Å; V71-L78 HydrophobicContact CG2-CD1 3.61Å; V71-F114 WeakPolarHBondContact O-CD2 3.37Å |
| 72 | S | 82.1 | Confident | 80.5 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | trans | -58.2 | 147.8 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | D74 D75 L77 S118 | S72-D74 PolarHBondContact O-N 2.88Å; S72-D74 VanDerWaalsContact O-N 3.15Å; S72-D74 PolarHBondContact OG-N 3.14Å; S72-D74 VanDerWaalsContact OG-N 3.14Å; S72-D75 PolarHBondContact O-N 2.86Å; S72-D75 VanDerWaalsContact O-N 3.07Å; S72-L77 WeakPolarHBondContact CB-O 3.37Å; S72-L77 PolarHBondContact N-O 2.95Å; S72-S118 WeakPolarHBondContact OG-CB 3.31Å | ||
| 73 | C | 75.2 | Confident | 81.4 | Confident | 26 Ų | 26 | 41 Ų | 41 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.4 | 172.5 | -84.2 | 0 | 0 | 0 | 0 | 114.7 | K31 D115 | K31-C73 WeakPolarHBondContact CD-O 3.4Å; K31-C73 WeakPolarHBondContact CE-SG 3.5Å; K31-C73 PolarHBondContact NZ-SG 2.86Å; C73-D115 PolarHBondContact SG-O 3.4Å |
| 74 | D | 73.8 | Confident | 82.2 | Confident | 90 Ų | 90 | 35.2 Ų | 35.2 | 48% | 0.481 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.9 | -179.7 | -56.7 | -36.3 | 0 | 0 | 0 | 112.4 | S72 E76 S118 | S72-D74 PolarHBondContact O-N 2.88Å; S72-D74 VanDerWaalsContact O-N 3.15Å; S72-D74 PolarHBondContact OG-N 3.14Å; S72-D74 VanDerWaalsContact OG-N 3.14Å; D74-E76 PolarHBondContact O-N 3.05Å; D74-E76 VanDerWaalsContact O-N 3.09Å; D74-S118 VanDerWaalsContact OD2-CB 3.3Å; D74-S118 WeakPolarHBondContact OD2-CB 3.32Å; D74-S118 PolarHBondContact OD2-OG 3.21Å |
| 75 | D | 75 | Confident | 82.6 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 56.9 | 21 | 179.6 | -61.3 | -31.8 | 0 | 0 | 0 | 114.8 | S30 K31 S72 W92 | S30-D75 WeakPolarHBondContact CA-OD1 3.32Å; S30-D75 VanDerWaalsContact CB-CG 3.49Å; S30-D75 VanDerWaalsContact CB-OD1 3.27Å; S30-D75 WeakPolarHBondContact CB-OD1 3.39Å; S30-D75 VanDerWaalsContact CB-OD2 3.27Å; S30-D75 WeakPolarHBondContact CB-OD2 3.34Å; S30-D75 VanDerWaalsContact OG-CG 3.23Å; S30-D75 PolarHBondContact OG-OD1 3.21Å; S30-D75 PolarHBondContact OG-OD2 3.22Å; K31-D75 PolarHBondContact N-OD2 3.43Å; S72-D75 PolarHBondContact O-N 2.86Å; S72-D75 VanDerWaalsContact O-N 3.07Å; D75-W92 WeakPolarHBondContact O-CZ2 3.26Å; D75-W92 PolarHBondContact O-NE1 3.47Å |
| 76 | E | 79.4 | Confident | 83 | Confident | 116 Ų | 116 | 31.3 Ų | 31.3 | 54% | 0.542 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -98.2 | -36.2 | 176.7 | -65.2 | -169.1 | 158.6 | 0 | 0 | 112.9 | D74 | D74-E76 PolarHBondContact O-N 3.05Å; D74-E76 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 84.7 | Confident | 83.1 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.1 | -172.8 | -61.8 | 175.8 | 0 | 0 | 0 | 111.2 | S72 Q89 V135 | S72-L77 WeakPolarHBondContact CB-O 3.37Å; S72-L77 PolarHBondContact N-O 2.95Å; L77-Q89 HydrophobicContact CD2-CG 4.39Å; L77-V135 HydrophobicContact CD1-CG1 3.72Å |
| 78 | L | 87.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.1 | 170 | 171.3 | 70 | 0 | 0 | 0 | 108.5 | F37 V44 V58 F69 V71 T80 W90 W92 | F37-L78 HydrophobicContact CD1-CD1 4.26Å; V44-L78 HydrophobicContact CB-CD2 4.4Å; V44-L78 HydrophobicContact CG1-CD2 4.17Å; V58-L78 HydrophobicContact CG2-CD2 4.24Å; F69-L78 HydrophobicContact CB-CD1 4.2Å; F69-L78 HydrophobicContact CD2-CD1 3.71Å; F69-L78 HydrophobicContact CG-CD1 4.24Å; V71-L78 HydrophobicContact CG2-CD1 3.61Å; L78-T80 HydrophobicContact CD2-CG2 4.28Å; L78-T80 HydrophobicContact CG-CG2 4.16Å; L78-W90 HydrophobicContact CB-CB 4.24Å; L78-W90 PolarHBondContact N-O 3.05Å; L78-W90 PolarHBondContact O-N 3.21Å; L78-W92 HydrophobicContact CB-CB 4.26Å; L78-W92 HydrophobicContact CD2-CB 4.3Å |
| 79 | V | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.7 | 173 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | F69 A70 L87 K88 Q89 F114 L121 | F69-V79 CarbonylContact C-O 3.56Å; F69-V79 WeakPolarHBondContact CA-O 3.41Å; F69-V79 WeakPolarHBondContact CB-O 3.25Å; A70-V79 PolarHBondContact N-O 3.5Å; A70-V79 PolarHBondContact O-N 3.25Å; V79-L87 HydrophobicContact CG1-CD2 4.11Å; V79-K88 WeakPolarHBondContact CA-O 3.48Å; V79-Q89 HydrophobicContact CG2-CB 4.3Å; V79-Q89 HydrophobicContact CG2-CG 4.28Å; V79-F114 HydrophobicContact CB-CE2 4.41Å; V79-F114 HydrophobicContact CB-CZ 4.23Å; V79-F114 HydrophobicContact CG2-CE2 4.39Å; V79-F114 HydrophobicContact CG2-CZ 3.75Å; V79-L121 HydrophobicContact CB-CD2 4.25Å; V79-L121 HydrophobicContact CG1-CD2 3.77Å; V79-L121 HydrophobicContact CG2-CD2 4.41Å |
| 80 | T | 87.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.5 | -177.1 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | V44 H60 F69 L78 L87 K88 W90 | V44-T80 HydrophobicContact CG2-CG2 3.79Å; H60-T80 PolarHBondContact CE1-OG1 3.01Å; H60-T80 WeakPolarHBondContact NE2-CB 3.34Å; H60-T80 PolarHBondContact NE2-OG1 3.33Å; F69-T80 HydrophobicContact CB-CG2 4.12Å; L78-T80 HydrophobicContact CD2-CG2 4.28Å; L78-T80 HydrophobicContact CG-CG2 4.16Å; T80-L87 CarbonylContact O-C 3.57Å; T80-L87 VanDerWaalsContact O-CA 3.29Å; T80-L87 WeakPolarHBondContact O-CA 3.26Å; T80-K88 PolarHBondContact N-O 3.47Å; T80-K88 PolarHBondContact O-N 3.2Å; T80-K88 PolarHBondContact OG1-O 2.97Å; T80-K88 VanDerWaalsContact OG1-O 3.08Å; T80-W90 PolarHBondContact OG1-NE1 3.27Å |
| 81 | A | 86.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I66 T67 S68 L87 V109 M112 | I66-A81 CarbonylContact C-O 3.55Å; I66-A81 WeakPolarHBondContact CA-O 3.26Å; I66-A81 WeakPolarHBondContact CG2-O 3.42Å; T67-A81 PolarHBondContact N-O 3.44Å; T67-A81 PolarHBondContact OG1-O 3.1Å; S68-A81 WeakPolarHBondContact O-CB 3.38Å; S68-A81 PolarHBondContact O-N 3.02Å; A81-L87 HydrophobicContact CB-CD2 3.73Å; A81-V109 HydrophobicContact CB-CB 4.19Å; A81-M112 HydrophobicContact CB-CE 3.59Å; A81-M112 HydrophobicContact CB-SD 3.84Å |
| 82 | S | 84.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 162.2 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | A84 L85 L86 | S82-A84 PolarHBondContact O-N 3.05Å; S82-L85 PolarHBondContact O-N 3.2Å; S82-L86 PolarHBondContact N-O 3.24Å; S82-L86 WeakPolarHBondContact OG-CB 3.41Å; S82-L86 PolarHBondContact OG-N 3.31Å; S82-L86 PolarHBondContact OG-O 2.83Å |
| 83 | R | 82 | Confident | 83.1 | Confident | 171 Ų | 171 | 38.5 Ų | 38.5 | 65% | 0.645 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.1 | 172.4 | -168.4 | 171.7 | 179.6 | 151.2 | -1.3 | 112.9 | D65 T67 L85 | D65-R83 PolarHBondContact O-N 2.78Å; T67-R83 HydrophobicContact CG2-CB 4.16Å; R83-L85 PolarHBondContact O-N 3.07Å |
| 84 | A | 81 | Confident | 83.3 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 8.3 | 171 | 0 | 0 | 0 | 0 | 0 | 115.7 | E64 S82 L86 | E64-A84 WeakPolarHBondContact OE2-CA 3.47Å; E64-A84 WeakPolarHBondContact OE2-CB 3.44Å; E64-A84 PolarHBondContact OE2-N 3.14Å; S82-A84 PolarHBondContact O-N 3.05Å; A84-L86 HydrophobicContact CB-CD1 4.32Å; A84-L86 HydrophobicContact CB-CG 4.42Å; A84-L86 PolarHBondContact O-N 3.33Å |
| 85 | L | 83.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 62.8 | 26.2 | -178.2 | -47 | 169.2 | 0 | 0 | 0 | 112.2 | S82 R83 K102 A103 P108 | S82-L85 PolarHBondContact O-N 3.2Å; R83-L85 PolarHBondContact O-N 3.07Å; L85-K102 CarbonylContact O-C 3.6Å; L85-A103 HydrophobicContact CB-CB 4.5Å; L85-A103 WeakPolarHBondContact O-CA 3.46Å; L85-A103 VanDerWaalsContact O-CB 3.24Å; L85-A103 WeakPolarHBondContact O-CB 3.37Å; L85-A103 PolarHBondContact O-N 3.34Å; L85-P108 HydrophobicContact CD2-CB 4.39Å; L85-P108 VanDerWaalsContact CD2-N 3.26Å |
| 86 | L | 85.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.6 | 173.9 | -64.1 | 168.3 | 0 | 0 | 0 | 110 | S82 A84 W101 K102 | S82-L86 PolarHBondContact N-O 3.24Å; S82-L86 WeakPolarHBondContact OG-CB 3.41Å; S82-L86 PolarHBondContact OG-N 3.31Å; S82-L86 PolarHBondContact OG-O 2.83Å; A84-L86 HydrophobicContact CB-CD1 4.32Å; A84-L86 HydrophobicContact CB-CG 4.42Å; A84-L86 PolarHBondContact O-N 3.33Å; L86-W101 WeakPolarHBondContact CA-O 3.46Å; L86-K102 HydrophobicContact CD2-CG 3.69Å |
| 87 | L | 85.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.5 | 165.1 | -69.9 | 167.3 | 0 | 0 | 0 | 108.1 | V79 T80 A81 S100 W101 A103 M112 T123 W133 | V79-L87 HydrophobicContact CG1-CD2 4.11Å; T80-L87 CarbonylContact O-C 3.57Å; T80-L87 VanDerWaalsContact O-CA 3.29Å; T80-L87 WeakPolarHBondContact O-CA 3.26Å; A81-L87 HydrophobicContact CB-CD2 3.73Å; L87-S100 CarbonylContact O-C 3.52Å; L87-S100 WeakPolarHBondContact O-CA 3.48Å; L87-W101 HydrophobicContact CB-CD2 4.15Å; L87-W101 HydrophobicContact CB-CG 4.39Å; L87-W101 HydrophobicContact CB-CZ2 4.02Å; L87-W101 HydrophobicContact CD1-CZ2 4.42Å; L87-W101 PolarHBondContact N-O 2.91Å; L87-W101 PolarHBondContact O-N 2.71Å; L87-A103 HydrophobicContact CD1-CB 4.07Å; L87-A103 HydrophobicContact CG-CB 4.04Å; L87-M112 HydrophobicContact CD2-SD 3.62Å; L87-T123 HydrophobicContact CD1-CG2 4.31Å; L87-W133 HydrophobicContact CD1-CZ2 4.36Å |
| 88 | K | 86.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.1 | 172.5 | -59.6 | -165.7 | -171.1 | 172.6 | 0 | 109.7 | H60 D62 V79 T80 W90 R99 | H60-K88 VanDerWaalsContact CE1-CD 3.46Å; H60-K88 WeakPolarHBondContact CE1-CD 3.47Å; H60-K88 WeakPolarHBondContact ND1-CD 3.41Å; H60-K88 WeakPolarHBondContact ND1-CE 3.48Å; H60-K88 PolarHBondContact ND1-NZ 2.65Å; D62-K88 IonicContact OD2-NZ 3.87Å; D62-K88 PolarHBondContact OD2-NZ 3.27Å; V79-K88 WeakPolarHBondContact CA-O 3.48Å; T80-K88 PolarHBondContact N-O 3.47Å; T80-K88 PolarHBondContact O-N 3.2Å; T80-K88 PolarHBondContact OG1-O 2.97Å; T80-K88 VanDerWaalsContact OG1-O 3.08Å; K88-W90 HydrophobicContact CB-CZ2 4.33Å; K88-W90 HydrophobicContact CD-CZ2 3.98Å; K88-R99 CarbonylContact C-O 3.57Å; K88-R99 WeakPolarHBondContact CA-O 3.5Å |
| 89 | Q | 88.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.7 | 174.7 | -178.9 | -175.8 | -7.2 | 0 | 0 | 109.5 | L77 V79 T98 R99 W101 | L77-Q89 HydrophobicContact CD2-CG 4.39Å; V79-Q89 HydrophobicContact CG2-CB 4.3Å; V79-Q89 HydrophobicContact CG2-CG 4.28Å; Q89-T98 WeakPolarHBondContact CB-OG1 3.4Å; Q89-T98 VanDerWaalsContact CG-OG1 3.28Å; Q89-T98 WeakPolarHBondContact CG-OG1 3.34Å; Q89-T98 PolarHBondContact O-N 3.44Å; Q89-T98 PolarHBondContact O-OG1 3.12Å; Q89-R99 PolarHBondContact N-O 3.39Å; Q89-R99 PolarHBondContact O-N 3.27Å; Q89-W101 HydrophobicContact CB-CH2 3.83Å; Q89-W101 HydrophobicContact CB-CZ3 3.64Å |
| 90 | W | 86.1 | Confident | 82.7 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.6 | -174.9 | -60.3 | 94.1 | 0 | 0 | 0 | 110.4 | V58 E59 H60 L78 T80 K88 C97 | V58-W90 HydrophobicContact CG1-CD2 3.35Å; V58-W90 VanDerWaalsContact CG1-CE2 3.44Å; V58-W90 HydrophobicContact CG1-CE3 3.59Å; V58-W90 HydrophobicContact CG1-CG 3.77Å; V58-W90 HydrophobicContact CG1-CH2 4.01Å; V58-W90 HydrophobicContact CG1-CZ2 3.79Å; V58-W90 HydrophobicContact CG1-CZ3 3.91Å; E59-W90 WeakPolarHBondContact O-CH2 3.42Å; H60-W90 AromaticContact NE2-NE1 3.94Å; L78-W90 HydrophobicContact CB-CB 4.24Å; L78-W90 PolarHBondContact N-O 3.05Å; L78-W90 PolarHBondContact O-N 3.21Å; T80-W90 PolarHBondContact OG1-NE1 3.27Å; K88-W90 HydrophobicContact CB-CZ2 4.33Å; K88-W90 HydrophobicContact CD-CZ2 3.98Å; W90-C97 HydrophobicContact CD2-CB 4.25Å; W90-C97 VanDerWaalsContact CE3-CA 3.43Å; W90-C97 HydrophobicContact CE3-CB 3.74Å; W90-C97 HydrophobicContact CH2-CB 3.74Å; W90-C97 HydrophobicContact CZ2-CB 4.23Å; W90-C97 HydrophobicContact CZ3-CB 3.47Å; W90-C97 VanDerWaalsContact CZ3-CB 3.47Å |
| 91 | D | 84.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 97.4 | 154.6 | -177.3 | -6.8 | 0 | 0 | 0 | 106.7 | R93 Q94 G95 T96 T98 | D91-R93 PolarHBondContact O-N 3.43Å; D91-R93 PolarHBondContact OD1-N 3.27Å; D91-Q94 PolarHBondContact O-N 3.35Å; D91-G95 PolarHBondContact O-N 3Å; D91-T96 PolarHBondContact N-O 3.39Å; D91-T98 HydrophobicContact CB-CG2 4.2Å |
| 92 | W | 79.1 | Confident | 82.2 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.8 | -169.1 | 64.2 | -90.9 | 0 | 0 | 0 | 113 | Y35 F37 V46 V58 D75 L78 | Y35-W92 AromaticContact CD2-CH2 3.72Å; Y35-W92 HydrophobicContact CD2-CH2 3.72Å; Y35-W92 HydrophobicContact CD2-CZ2 4.46Å; Y35-W92 AromaticContact CE2-CH2 3.8Å; Y35-W92 HydrophobicContact CE2-CH2 3.8Å; Y35-W92 HydrophobicContact CG-CH2 4.19Å; F37-W92 AromaticContact CE1-CD2 3.99Å; F37-W92 HydrophobicContact CE1-CD2 3.99Å; F37-W92 HydrophobicContact CE1-CE3 4.48Å; F37-W92 AromaticContact CE1-CG 3.99Å; F37-W92 HydrophobicContact CE1-CG 3.99Å; F37-W92 HydrophobicContact CZ-CD2 4.04Å; F37-W92 AromaticContact CZ-CE2 3.82Å; F37-W92 HydrophobicContact CZ-CG 4.36Å; F37-W92 HydrophobicContact CZ-CZ2 4.15Å; V46-W92 HydrophobicContact CG1-CE3 4.07Å; V46-W92 HydrophobicContact CG1-CZ3 4Å; V46-W92 HydrophobicContact CG2-CE3 4.32Å; V58-W92 HydrophobicContact CG2-CB 4.49Å; D75-W92 WeakPolarHBondContact O-CZ2 3.26Å; D75-W92 PolarHBondContact O-NE1 3.47Å; L78-W92 HydrophobicContact CB-CB 4.26Å; L78-W92 HydrophobicContact CD2-CB 4.3Å |
| 93 | R | 81.4 | Confident | 81.4 | Confident | 133 Ų | 133 | 62.6 Ų | 62.6 | 50% | 0.502 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -31.6 | 175.9 | -65.8 | -175.9 | -178.2 | 176.2 | 5.6 | 112.5 | H56 D91 | H56-R93 PolarHBondContact NE2-O 3.31Å; D91-R93 PolarHBondContact O-N 3.43Å; D91-R93 PolarHBondContact OD1-N 3.27Å |
| 94 | Q | 79.2 | Confident | 81.1 | Confident | 139 Ų | 139 | 59.8 Ų | 59.8 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -13.8 | 178.5 | -60 | -173.7 | 17.5 | 0 | 0 | 112.1 | D91 T96 | D91-Q94 PolarHBondContact O-N 3.35Å; Q94-T96 HydrophobicContact CB-CG2 4.2Å; Q94-T96 PolarHBondContact O-N 3.19Å |
| 95 | G | 71.8 | Confident | 80.9 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 14.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D91 | D91-G95 PolarHBondContact O-N 3Š|
| 96 | T | 80.4 | Confident | 80.5 | Confident | 64 Ų | 64 | 61 Ų | 61 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129.6 | -175.8 | 52 | 0 | 0 | 0 | 0 | 110.5 | D91 Q94 T98 | D91-T96 PolarHBondContact N-O 3.39Å; Q94-T96 HydrophobicContact CB-CG2 4.2Å; Q94-T96 PolarHBondContact O-N 3.19Å; T96-T98 PolarHBondContact O-N 3.47Å |
| 97 | C | 79.4 | Confident | 80.3 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 109.5 | 169.3 | -173 | 0 | 0 | 0 | 0 | 107.5 | W90 | W90-C97 HydrophobicContact CD2-CB 4.25Å; W90-C97 VanDerWaalsContact CE3-CA 3.43Å; W90-C97 HydrophobicContact CE3-CB 3.74Å; W90-C97 HydrophobicContact CH2-CB 3.74Å; W90-C97 HydrophobicContact CZ2-CB 4.23Å; W90-C97 HydrophobicContact CZ3-CB 3.47Å; W90-C97 VanDerWaalsContact CZ3-CB 3.47Å |
| 98 | T | 81.8 | Confident | 80.1 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -45.5 | 177.3 | 60 | 0 | 0 | 0 | 0 | 110 | Q89 D91 T96 | Q89-T98 WeakPolarHBondContact CB-OG1 3.4Å; Q89-T98 VanDerWaalsContact CG-OG1 3.28Å; Q89-T98 WeakPolarHBondContact CG-OG1 3.34Å; Q89-T98 PolarHBondContact O-N 3.44Å; Q89-T98 PolarHBondContact O-OG1 3.12Å; D91-T98 HydrophobicContact CB-CG2 4.2Å; T96-T98 PolarHBondContact O-N 3.47Å |
| 99 | R | 78.2 | Confident | 80 | Confident | 140 Ų | 140 | 64 Ų | 64 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 156 | -179.1 | -64.7 | -166.7 | -169 | -157.2 | -2.6 | 112.7 | K88 Q89 W101 | K88-R99 CarbonylContact C-O 3.57Å; K88-R99 WeakPolarHBondContact CA-O 3.5Å; Q89-R99 PolarHBondContact N-O 3.39Å; Q89-R99 PolarHBondContact O-N 3.27Å; R99-W101 HydrophobicContact CB-CE3 4.21Å; R99-W101 HydrophobicContact CB-CZ3 4.21Å |
| 100 | S | 84 | Confident | 79.7 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 53% | 0.531 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.8 | 166.7 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | L87 | L87-S100 CarbonylContact O-C 3.52Å; L87-S100 WeakPolarHBondContact O-CA 3.48Å |
| 101 | W | 85 | Confident | 79.5 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 19% | 0.193 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 156.1 | 173 | 64.4 | 92.3 | 0 | 0 | 0 | 111.7 | L86 L87 Q89 R99 A103 | L86-W101 WeakPolarHBondContact CA-O 3.46Å; L87-W101 HydrophobicContact CB-CD2 4.15Å; L87-W101 HydrophobicContact CB-CG 4.39Å; L87-W101 HydrophobicContact CB-CZ2 4.02Å; L87-W101 HydrophobicContact CD1-CZ2 4.42Å; L87-W101 PolarHBondContact N-O 2.91Å; L87-W101 PolarHBondContact O-N 2.71Å; Q89-W101 HydrophobicContact CB-CH2 3.83Å; Q89-W101 HydrophobicContact CB-CZ3 3.64Å; R99-W101 HydrophobicContact CB-CE3 4.21Å; R99-W101 HydrophobicContact CB-CZ3 4.21Å; W101-A103 PolarHBondContact O-N 2.99Å |
| 102 | K | 78.6 | Confident | 79.6 | Confident | 162 Ų | 162 | 63.6 Ų | 63.6 | 70% | 0.704 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.3 | 177.2 | -70.4 | -177.3 | 179 | -176.7 | 0 | 110.1 | L85 L86 I104 | L85-K102 CarbonylContact O-C 3.6Å; L86-K102 HydrophobicContact CD2-CG 3.69Å; K102-I104 PolarHBondContact O-N 2.81Å |
| 103 | A | 67.4 | Low | 79.9 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | trans | -60.3 | 107.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | L85 L87 W101 H105 V109 | L85-A103 HydrophobicContact CB-CB 4.5Å; L85-A103 WeakPolarHBondContact O-CA 3.46Å; L85-A103 VanDerWaalsContact O-CB 3.24Å; L85-A103 WeakPolarHBondContact O-CB 3.37Å; L85-A103 PolarHBondContact O-N 3.34Å; L87-A103 HydrophobicContact CD1-CB 4.07Å; L87-A103 HydrophobicContact CG-CB 4.04Å; W101-A103 PolarHBondContact O-N 2.99Å; A103-H105 PolarHBondContact O-N 3.47Å; A103-V109 HydrophobicContact CB-CG2 4.22Å | ||
| 104 | I | 77.1 | Confident | 80.3 | Confident | 111 Ų | 111 | 59 Ų | 59 | 57% | 0.569 | 33% | 0.325 | S | S | * | . | trans | -61.2 | 3.5 | -177.8 | -60.2 | 161.1 | 0 | 0 | 0 | 111.8 | K102 K131 W133 | K102-I104 PolarHBondContact O-N 2.81Å; I104-K131 PolarHBondContact O-NZ 2.9Å; I104-W133 HydrophobicContact CB-CH2 4.36Å; I104-W133 HydrophobicContact CD1-CH2 3.64Å; I104-W133 HydrophobicContact CD1-CZ3 4.11Å; I104-W133 HydrophobicContact CG1-CH2 3.9Å | ||
| 105 | H | 76.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | trans | -65.6 | 152.9 | 173.5 | -67.6 | -79.2 | 0 | 0 | 0 | 110.9 | A103 I107 T123 D127 T129 | A103-H105 PolarHBondContact O-N 3.47Å; H105-I107 WeakPolarHBondContact CB-O 3.38Å; H105-T123 PolarHBondContact NE2-OG1 3.32Å; H105-D127 WeakPolarHBondContact CA-OD2 3.41Å; H105-D127 IonicContact ND1-OD1 3.35Å; H105-D127 PolarHBondContact ND1-OD1 3.22Å; H105-D127 IonicContact ND1-OD2 3.51Å; H105-T129 PolarHBondContact CE1-O 2.94Å; H105-T129 PolarHBondContact CE1-OG1 3.12Å; H105-T129 PolarHBondContact ND1-OG1 3.49Å | ||
| 106 | T | 74.9 | Confident | 80.9 | Confident | 109 Ų | 109 | 53 Ų | 53 | 67% | 0.669 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -87.6 | -18.5 | 178.2 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | D127 | T106-D127 PolarHBondContact N-OD2 2.87Å; T106-D127 WeakPolarHBondContact OG1-CB 3.44Å; T106-D127 PolarHBondContact OG1-OD2 3.5Å; T106-D127 VanDerWaalsContact OG1-OD2 3.06Å |
| 107 | I | 80.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -138.1 | 149.9 | -176.6 | -52.5 | 173.4 | 0 | 0 | 0 | 107.1 | H105 C126 D127 | H105-I107 WeakPolarHBondContact CB-O 3.38Å; I107-C126 HydrophobicContact CB-CB 3.99Å; I107-C126 HydrophobicContact CG2-CB 3.44Å; I107-C126 VanDerWaalsContact CG2-CB 3.44Å; I107-D127 HydrophobicContact CB-CB 4.38Å; I107-D127 HydrophobicContact CD1-CB 4.13Å; I107-D127 HydrophobicContact CG1-CB 4.23Å |
| 108 | P | 81.4 | Confident | 81 | Confident | 38 Ų | 38 | 50 Ų | 50 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | trans | -48.8 | 150.6 | -178.8 | 14.2 | -32.4 | 0 | 0 | 0 | 115.1 | T67 L85 C126 | T67-P108 HydrophobicContact CG2-CB 4.07Å; L85-P108 HydrophobicContact CD2-CB 4.39Å; L85-P108 VanDerWaalsContact CD2-N 3.26Å; P108-C126 PolarHBondContact O-N 3.34Å; P108-C126 PolarHBondContact O-SG 3.17Å | ||
| 109 | V | 84.3 | Confident | 81.1 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 124.5 | 179.2 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | T67 S68 A81 A103 S111 M112 T123 G124 | T67-V109 WeakPolarHBondContact CB-O 3.3Å; T67-V109 PolarHBondContact OG1-O 3.49Å; S68-V109 PolarHBondContact OG-O 3.39Å; A81-V109 HydrophobicContact CB-CB 4.19Å; A103-V109 HydrophobicContact CB-CG2 4.22Å; V109-S111 WeakPolarHBondContact CG1-O 3.5Å; V109-M112 HydrophobicContact CG1-CG 3.51Å; V109-M112 HydrophobicContact CG1-SD 4.11Å; V109-T123 HydrophobicContact CG1-CG2 4.44Å; V109-G124 WeakPolarHBondContact CG1-O 2.98Å |
| 110 | A | 81.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 44.3 Ų | 44.3 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -36.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G124 | A110-G124 PolarHBondContact N-O 2.89Å |
| 111 | S | 82.4 | Confident | 81.8 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.2 | -177.8 | 58.4 | 0 | 0 | 0 | 0 | 112 | V109 G124 H152 V154 | V109-S111 WeakPolarHBondContact CG1-O 3.5Å; S111-G124 PolarHBondContact N-O 3.28Å; S111-G124 PolarHBondContact O-N 3.15Å; S111-H152 WeakPolarHBondContact CB-O 3.47Å; S111-V154 WeakPolarHBondContact OG-CG2 3.27Å |
| 112 | M | 87.6 | Confident | 82 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 142 | 176.4 | -63.5 | -163.8 | -65.2 | 0 | 0 | 110.5 | K26 S68 A70 A81 L87 V109 A122 T123 | K26-M112 PolarHBondContact NZ-O 2.89Å; S68-M112 VanDerWaalsContact C-CE 3.4Å; S68-M112 WeakPolarHBondContact O-CE 3.38Å; A70-M112 HydrophobicContact CB-CB 3.92Å; A81-M112 HydrophobicContact CB-CE 3.59Å; A81-M112 HydrophobicContact CB-SD 3.84Å; L87-M112 HydrophobicContact CD2-SD 3.62Å; V109-M112 HydrophobicContact CG1-CG 3.51Å; V109-M112 HydrophobicContact CG1-SD 4.11Å; M112-A122 WeakPolarHBondContact CA-O 3.44Å; M112-T123 HydrophobicContact CG-CG2 3.96Å; M112-T123 HydrophobicContact SD-CG2 3.88Å |
| 113 | T | 85.3 | Confident | 82.5 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143.6 | 173.7 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | A122 V154 F156 | T113-A122 HydrophobicContact CG2-CB 4.11Å; T113-A122 PolarHBondContact N-O 2.98Å; T113-A122 PolarHBondContact O-N 3.43Å; T113-V154 HydrophobicContact CG2-CB 4.33Å; T113-V154 HydrophobicContact CG2-CG1 3.89Å; T113-V154 VanDerWaalsContact CG2-O 3.26Å; T113-V154 WeakPolarHBondContact CG2-O 3.36Å; T113-F156 HydrophobicContact CG2-CD2 3.61Å; T113-F156 HydrophobicContact CG2-CE2 3.77Å |
| 114 | F | 88.1 | Confident | 83.4 | Confident | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.057 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 156.2 | 165.3 | -81.2 | -86.8 | 0 | 0 | 0 | 110.4 | A70 V71 V79 L121 V135 F156 | A70-F114 HydrophobicContact CB-CD2 3.6Å; A70-F114 HydrophobicContact CB-CE2 3.67Å; A70-F114 WeakPolarHBondContact O-CE2 3.31Å; V71-F114 WeakPolarHBondContact O-CD2 3.37Å; V79-F114 HydrophobicContact CB-CE2 4.41Å; V79-F114 HydrophobicContact CB-CZ 4.23Å; V79-F114 HydrophobicContact CG2-CE2 4.39Å; V79-F114 HydrophobicContact CG2-CZ 3.75Å; F114-L121 HydrophobicContact CD1-CB 4.43Å; F114-L121 HydrophobicContact CD1-CD1 4.23Å; F114-L121 HydrophobicContact CD2-CD1 3.88Å; F114-L121 HydrophobicContact CE1-CB 4.27Å; F114-L121 HydrophobicContact CE1-CD1 4.14Å; F114-L121 HydrophobicContact CE2-CD1 3.74Å; F114-L121 HydrophobicContact CG-CD1 4.13Å; F114-L121 HydrophobicContact CZ-CD1 3.89Å; F114-V135 HydrophobicContact CD1-CG2 4.28Å; F114-V135 HydrophobicContact CE1-CG1 4.45Å; F114-V135 HydrophobicContact CE1-CG2 3.6Å; F114-F156 WeakPolarHBondContact O-CD2 3.28Å |
| 115 | D | 84.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | trans | -75.3 | 163.5 | 165.6 | 77.7 | -49.3 | 0 | 0 | 0 | 111.3 | C73 S117 S118 T119 L120 F156 | C73-D115 PolarHBondContact SG-O 3.4Å; D115-S117 PolarHBondContact O-N 3.18Å; D115-S117 VanDerWaalsContact O-N 3.17Å; D115-S117 WeakPolarHBondContact OD2-CA 3.44Å; D115-S117 WeakPolarHBondContact OD2-CB 3.38Å; D115-S117 PolarHBondContact OD2-N 2.96Å; D115-S117 VanDerWaalsContact OD2-N 3.12Å; D115-S117 PolarHBondContact OD2-OG 3.01Å; D115-S118 PolarHBondContact O-N 3.09Å; D115-S118 WeakPolarHBondContact OD1-CA 3.47Å; D115-S118 PolarHBondContact OD1-N 3.45Å; D115-T119 PolarHBondContact OD1-N 3.47Å; D115-T119 PolarHBondContact OD2-OG1 3.42Å; D115-L120 HydrophobicContact CB-CB 4.07Å; D115-L120 PolarHBondContact N-O 3.22Å; D115-L120 PolarHBondContact OD1-N 3Å; D115-F156 HydrophobicContact CB-CD1 4.33Å; D115-F156 HydrophobicContact CB-CD2 3.99Å; D115-F156 HydrophobicContact CB-CE1 4.4Å; D115-F156 HydrophobicContact CB-CE2 4.05Å; D115-F156 HydrophobicContact CB-CG 4.11Å; D115-F156 HydrophobicContact CB-CZ 4.26Å | ||
| 116 | P | 79.7 | Confident | 84.1 | Confident | 41 Ų | 41 | 26.6 Ų | 26.6 | 27% | 0.266 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23 | 177.1 | -25.2 | 35 | 0 | 0 | 0 | 114.5 | I160 | P116-I160 HydrophobicContact CB-CG1 4.14Š|
| 117 | S | 81.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 23 Ų | 23 | 29% | 0.287 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 6.1 | -178.8 | 81.2 | 0 | 0 | 0 | 0 | 114.5 | D115 T119 | D115-S117 PolarHBondContact O-N 3.18Å; D115-S117 VanDerWaalsContact O-N 3.17Å; D115-S117 WeakPolarHBondContact OD2-CA 3.44Å; D115-S117 WeakPolarHBondContact OD2-CB 3.38Å; D115-S117 PolarHBondContact OD2-N 2.96Å; D115-S117 VanDerWaalsContact OD2-N 3.12Å; D115-S117 PolarHBondContact OD2-OG 3.01Å; S117-T119 PolarHBondContact O-N 3.19Å; S117-T119 PolarHBondContact OG-OG1 3.47Å |
| 118 | S | 80.9 | Confident | 84.6 | Confident | 19 Ų | 19 | 20.2 Ų | 20.2 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 59.6 | -0 | -178.9 | 73.6 | 0 | 0 | 0 | 0 | 117.6 | S72 D74 D115 | S72-S118 WeakPolarHBondContact OG-CB 3.31Å; D74-S118 VanDerWaalsContact OD2-CB 3.3Å; D74-S118 WeakPolarHBondContact OD2-CB 3.32Å; D74-S118 PolarHBondContact OD2-OG 3.21Å; D115-S118 PolarHBondContact O-N 3.09Å; D115-S118 WeakPolarHBondContact OD1-CA 3.47Å; D115-S118 PolarHBondContact OD1-N 3.45Å |
| 119 | T | 84.7 | Confident | 84.8 | Confident | 56 Ų | 56 | 19.3 Ų | 19.3 | 34% | 0.344 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -81.6 | -28.4 | -177.5 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | D115 S117 V135 | D115-T119 PolarHBondContact OD1-N 3.47Å; D115-T119 PolarHBondContact OD2-OG1 3.42Å; S117-T119 PolarHBondContact O-N 3.19Å; S117-T119 PolarHBondContact OG-OG1 3.47Å; T119-V135 PolarHBondContact O-N 3.37Å |
| 120 | L | 88 | Confident | 85 | Confident | 29 Ų | 29 | 19.1 Ų | 19.1 | 15% | 0.152 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.2 | -174.2 | -64.1 | 175.1 | 0 | 0 | 0 | 111 | D115 V132 W133 D134 F156 | D115-L120 HydrophobicContact CB-CB 4.07Å; D115-L120 PolarHBondContact N-O 3.22Å; D115-L120 PolarHBondContact OD1-N 3Å; L120-V132 HydrophobicContact CB-CG1 4.18Å; L120-V132 HydrophobicContact CD1-CG1 4.5Å; L120-V132 HydrophobicContact CD2-CG1 4.12Å; L120-W133 CarbonylContact C-O 3.51Å; L120-W133 WeakPolarHBondContact CA-O 3.46Å; L120-D134 HydrophobicContact CD2-CB 4.43Å; L120-F156 HydrophobicContact CB-CZ 4.32Å |
| 121 | L | 88.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.8 | 172.4 | 178.1 | 75.3 | 0 | 0 | 0 | 109.1 | A70 V79 F114 T123 V132 W133 V135 | A70-L121 HydrophobicContact CB-CD1 4.06Å; V79-L121 HydrophobicContact CB-CD2 4.25Å; V79-L121 HydrophobicContact CG1-CD2 3.77Å; V79-L121 HydrophobicContact CG2-CD2 4.41Å; F114-L121 HydrophobicContact CD1-CB 4.43Å; F114-L121 HydrophobicContact CD1-CD1 4.23Å; F114-L121 HydrophobicContact CD2-CD1 3.88Å; F114-L121 HydrophobicContact CE1-CB 4.27Å; F114-L121 HydrophobicContact CE1-CD1 4.14Å; F114-L121 HydrophobicContact CE2-CD1 3.74Å; F114-L121 HydrophobicContact CG-CD1 4.13Å; F114-L121 HydrophobicContact CZ-CD1 3.89Å; L121-T123 HydrophobicContact CD2-CG2 4.1Å; L121-T123 HydrophobicContact CG-CG2 4.23Å; L121-V132 CarbonylContact O-C 3.58Å; L121-V132 WeakPolarHBondContact O-CA 3.3Å; L121-W133 HydrophobicContact CB-CB 4.32Å; L121-W133 PolarHBondContact N-O 2.88Å; L121-W133 PolarHBondContact O-N 3.4Å; L121-V135 HydrophobicContact CB-CG2 3.87Å |
| 122 | A | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | M112 T113 K131 V132 V154 F156 L165 | M112-A122 WeakPolarHBondContact CA-O 3.44Å; T113-A122 HydrophobicContact CG2-CB 4.11Å; T113-A122 PolarHBondContact N-O 2.98Å; T113-A122 PolarHBondContact O-N 3.43Å; A122-K131 CarbonylContact C-O 3.6Å; A122-K131 WeakPolarHBondContact CA-O 3.37Å; A122-V132 HydrophobicContact CB-CG2 4.36Å; A122-V154 HydrophobicContact CB-CG1 3.72Å; A122-F156 HydrophobicContact CB-CE2 3.57Å; A122-F156 HydrophobicContact CB-CZ 3.54Å; A122-L165 HydrophobicContact CB-CD1 4.01Å; A122-L165 HydrophobicContact CB-CD2 4.24Å |
| 123 | T | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | 176.8 | 61.2 | 0 | 0 | 0 | 0 | 109.9 | L87 H105 V109 M112 L121 I130 K131 W133 | L87-T123 HydrophobicContact CD1-CG2 4.31Å; H105-T123 PolarHBondContact NE2-OG1 3.32Å; V109-T123 HydrophobicContact CG1-CG2 4.44Å; M112-T123 HydrophobicContact CG-CG2 3.96Å; M112-T123 HydrophobicContact SD-CG2 3.88Å; L121-T123 HydrophobicContact CD2-CG2 4.1Å; L121-T123 HydrophobicContact CG-CG2 4.23Å; T123-I130 WeakPolarHBondContact O-CA 3.41Å; T123-K131 PolarHBondContact N-O 3.37Å; T123-K131 PolarHBondContact O-N 3.49Å; T123-K131 PolarHBondContact OG1-O 3.39Å; T123-W133 PolarHBondContact OG1-NE1 3.24Å |
| 124 | G | 86.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | V109 A110 S111 | V109-G124 WeakPolarHBondContact CG1-O 2.98Å; A110-G124 PolarHBondContact N-O 2.89Å; S111-G124 PolarHBondContact N-O 3.28Å; S111-G124 PolarHBondContact O-N 3.15Å |
| 125 | G | 84.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 155.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D127 T129 | G125-D127 PolarHBondContact O-N 3.35Å; G125-T129 PolarHBondContact N-O 3.46Å |
| 126 | C | 82.9 | Confident | 85.2 | Confident | 39 Ų | 39 | 21.9 Ų | 21.9 | 26% | 0.264 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.5 | 164.9 | -69 | 0 | 0 | 0 | 0 | 112.9 | I107 P108 A128 V150 | I107-C126 HydrophobicContact CB-CB 3.99Å; I107-C126 HydrophobicContact CG2-CB 3.44Å; I107-C126 VanDerWaalsContact CG2-CB 3.44Å; P108-C126 PolarHBondContact O-N 3.34Å; P108-C126 PolarHBondContact O-SG 3.17Å; C126-A128 PolarHBondContact O-N 3.03Å; C126-V150 HydrophobicContact CB-CG1 4.43Å; C126-V150 HydrophobicContact CB-CG2 4.3Å |
| 127 | D | 82.9 | Confident | 85.1 | Confident | 32 Ų | 32 | 26.6 Ų | 26.6 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 18.4 | 178 | 65.9 | 0.3 | 0 | 0 | 0 | 114.3 | H105 T106 I107 G125 T129 | H105-D127 WeakPolarHBondContact CA-OD2 3.41Å; H105-D127 IonicContact ND1-OD1 3.35Å; H105-D127 PolarHBondContact ND1-OD1 3.22Å; H105-D127 IonicContact ND1-OD2 3.51Å; T106-D127 PolarHBondContact N-OD2 2.87Å; T106-D127 WeakPolarHBondContact OG1-CB 3.44Å; T106-D127 PolarHBondContact OG1-OD2 3.5Å; T106-D127 VanDerWaalsContact OG1-OD2 3.06Å; I107-D127 HydrophobicContact CB-CB 4.38Å; I107-D127 HydrophobicContact CD1-CB 4.13Å; I107-D127 HydrophobicContact CG1-CB 4.23Å; G125-D127 PolarHBondContact O-N 3.35Å; D127-T129 VanDerWaalsContact CG-OG1 3.32Å; D127-T129 PolarHBondContact O-N 2.92Å; D127-T129 VanDerWaalsContact O-N 3.11Å; D127-T129 PolarHBondContact OD1-N 3.31Å; D127-T129 PolarHBondContact OD1-OG1 3.2Å; D127-T129 PolarHBondContact OD2-OG1 3.19Å |
| 128 | A | 83.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 61.5 | 11.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C126 S147 G149 | C126-A128 PolarHBondContact O-N 3.03Å; A128-S147 WeakPolarHBondContact CB-O 3.44Å; A128-S147 PolarHBondContact O-OG 2.98Å; A128-G149 WeakPolarHBondContact CA-O 3.44Å; A128-G149 WeakPolarHBondContact CB-O 3.29Å |
| 129 | T | 86.8 | Confident | 84.7 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 143 | 177.2 | 70.4 | 0 | 0 | 0 | 0 | 111.6 | H105 G125 D127 K145 | H105-T129 PolarHBondContact CE1-O 2.94Å; H105-T129 PolarHBondContact CE1-OG1 3.12Å; H105-T129 PolarHBondContact ND1-OG1 3.49Å; G125-T129 PolarHBondContact N-O 3.46Å; D127-T129 VanDerWaalsContact CG-OG1 3.32Å; D127-T129 PolarHBondContact O-N 2.92Å; D127-T129 VanDerWaalsContact O-N 3.11Å; D127-T129 PolarHBondContact OD1-N 3.31Å; D127-T129 PolarHBondContact OD1-OG1 3.2Å; D127-T129 PolarHBondContact OD2-OG1 3.19Å; T129-K145 HydrophobicContact CG2-CG 4.23Å |
| 130 | I | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127 | 172.8 | -56.7 | 162.8 | 0 | 0 | 0 | 107.4 | T123 L144 V151 V154 L165 | T123-I130 WeakPolarHBondContact O-CA 3.41Å; I130-L144 HydrophobicContact CB-CB 4.23Å; I130-L144 HydrophobicContact CG2-CD1 4.46Å; I130-L144 PolarHBondContact N-O 3.38Å; I130-L144 VanDerWaalsContact N-O 3.12Å; I130-L144 PolarHBondContact O-N 3.25Å; I130-V151 HydrophobicContact CD1-CG1 4.17Å; I130-V151 HydrophobicContact CD1-CG2 4.38Å; I130-V151 HydrophobicContact CG1-CG1 4.08Å; I130-V151 HydrophobicContact CG1-CG2 3.97Å; I130-V154 HydrophobicContact CG1-CG2 4.48Å; I130-V154 HydrophobicContact CG2-CG1 4.46Å; I130-V154 HydrophobicContact CG2-CG2 4.49Å; I130-L165 HydrophobicContact CG2-CD2 3.79Å |
| 131 | K | 88.6 | Confident | 84.5 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.9 | 178.1 | -67.4 | -179.7 | -172.6 | 167.9 | 0 | 109.8 | I104 A122 T123 W133 H142 | I104-K131 PolarHBondContact O-NZ 2.9Å; A122-K131 CarbonylContact C-O 3.6Å; A122-K131 WeakPolarHBondContact CA-O 3.37Å; T123-K131 PolarHBondContact N-O 3.37Å; T123-K131 PolarHBondContact O-N 3.49Å; T123-K131 PolarHBondContact OG1-O 3.39Å; K131-W133 HydrophobicContact CB-CZ2 4.4Å; K131-W133 HydrophobicContact CD-CZ2 4.24Å; K131-H142 WeakPolarHBondContact CA-O 3.11Å |
| 132 | V | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.7 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | L120 L121 A122 C140 T141 H142 L165 L179 | L120-V132 HydrophobicContact CB-CG1 4.18Å; L120-V132 HydrophobicContact CD1-CG1 4.5Å; L120-V132 HydrophobicContact CD2-CG1 4.12Å; L121-V132 CarbonylContact O-C 3.58Å; L121-V132 WeakPolarHBondContact O-CA 3.3Å; A122-V132 HydrophobicContact CB-CG2 4.36Å; V132-C140 CarbonylContact O-C 3.53Å; V132-C140 WeakPolarHBondContact O-CA 3.05Å; V132-C140 PolarHBondContact O-SG 3.25Å; V132-T141 PolarHBondContact O-N 3.2Å; V132-T141 PolarHBondContact O-OG1 3.13Å; V132-T141 VanDerWaalsContact O-OG1 3.12Å; V132-H142 HydrophobicContact CB-CB 4.27Å; V132-H142 HydrophobicContact CG2-CB 4.41Å; V132-H142 PolarHBondContact N-O 3.5Å; V132-L165 HydrophobicContact CG2-CD2 4.23Å; V132-L179 HydrophobicContact CG2-CD2 3.96Å |
| 133 | W | 87.8 | Confident | 84.2 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.2 | -176.3 | -55.1 | 87.1 | 0 | 0 | 0 | 108.8 | L87 I104 L120 L121 T123 K131 C140 | L87-W133 HydrophobicContact CD1-CZ2 4.36Å; I104-W133 HydrophobicContact CB-CH2 4.36Å; I104-W133 HydrophobicContact CD1-CH2 3.64Å; I104-W133 HydrophobicContact CD1-CZ3 4.11Å; I104-W133 HydrophobicContact CG1-CH2 3.9Å; L120-W133 CarbonylContact C-O 3.51Å; L120-W133 WeakPolarHBondContact CA-O 3.46Å; L121-W133 HydrophobicContact CB-CB 4.32Å; L121-W133 PolarHBondContact N-O 2.88Å; L121-W133 PolarHBondContact O-N 3.4Å; T123-W133 PolarHBondContact OG1-NE1 3.24Å; K131-W133 HydrophobicContact CB-CZ2 4.4Å; K131-W133 HydrophobicContact CD-CZ2 4.24Å; W133-C140 HydrophobicContact CD2-CB 4.34Å; W133-C140 HydrophobicContact CE3-CB 3.89Å; W133-C140 HydrophobicContact CH2-CB 4.26Å; W133-C140 HydrophobicContact CZ3-CB 3.85Å |
| 134 | D | 86.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.4 | 164.5 | -174.2 | -28.7 | 0 | 0 | 0 | 108 | L120 V136 K137 Q138 Y139 T141 | L120-D134 HydrophobicContact CD2-CB 4.43Å; D134-V136 PolarHBondContact OD1-N 3.01Å; D134-K137 HydrophobicContact CB-CB 4.28Å; D134-K137 PolarHBondContact OD1-N 3.02Å; D134-K137 WeakPolarHBondContact OD2-CD 3.48Å; D134-K137 WeakPolarHBondContact OD2-CG 3.45Å; D134-Q138 WeakPolarHBondContact O-CA 3.42Å; D134-Q138 PolarHBondContact O-N 3.15Å; D134-Y139 PolarHBondContact N-O 3.31Å; D134-Y139 VanDerWaalsContact N-O 3.08Å; D134-T141 HydrophobicContact CB-CG2 3.93Å |
| 135 | V | 81 | Confident | 83.7 | Confident | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -32 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | L77 F114 T119 L121 Q138 | L77-V135 HydrophobicContact CD1-CG1 3.72Å; F114-V135 HydrophobicContact CD1-CG2 4.28Å; F114-V135 HydrophobicContact CE1-CG1 4.45Å; F114-V135 HydrophobicContact CE1-CG2 3.6Å; T119-V135 PolarHBondContact O-N 3.37Å; L121-V135 HydrophobicContact CB-CG2 3.87Å; V135-Q138 WeakPolarHBondContact O-CG 3.14Å |
| 136 | V | 80.3 | Confident | 83.2 | Confident | 110 Ų | 110 | 47.9 Ų | 47.9 | 67% | 0.667 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -46.5 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | D134 | D134-V136 PolarHBondContact OD1-N 3.01Š|
| 137 | K | 75.9 | Confident | 82.8 | Confident | 140 Ų | 140 | 46.6 Ų | 46.6 | 61% | 0.609 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -12.2 | -176.2 | -58 | -177.5 | -174.3 | 167.3 | 0 | 114.4 | D134 Y139 | D134-K137 HydrophobicContact CB-CB 4.28Å; D134-K137 PolarHBondContact OD1-N 3.02Å; D134-K137 WeakPolarHBondContact OD2-CD 3.48Å; D134-K137 WeakPolarHBondContact OD2-CG 3.45Å; K137-Y139 HydrophobicContact CB-CD1 3.75Å; K137-Y139 HydrophobicContact CB-CE1 3.42Å; K137-Y139 VanDerWaalsContact CB-CE1 3.42Å; K137-Y139 HydrophobicContact CD-CE1 3.85Å; K137-Y139 HydrophobicContact CG-CE1 4.3Å; K137-Y139 PolarHBondContact O-N 2.96Å |
| 138 | Q | 72.3 | Confident | 82.4 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | trans | 62.8 | 39.7 | 166.3 | -53.2 | 179.8 | 4.6 | 0 | 0 | 115.2 | D134 V135 | D134-Q138 WeakPolarHBondContact O-CA 3.42Å; D134-Q138 PolarHBondContact O-N 3.15Å; V135-Q138 WeakPolarHBondContact O-CG 3.14Å | ||
| 139 | Y | 82.4 | Confident | 82.3 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -131.9 | 157.8 | 168.5 | 63.9 | -93.1 | 0 | 0 | 0 | 110.9 | D134 K137 T141 | D134-Y139 PolarHBondContact N-O 3.31Å; D134-Y139 VanDerWaalsContact N-O 3.08Å; K137-Y139 HydrophobicContact CB-CD1 3.75Å; K137-Y139 HydrophobicContact CB-CE1 3.42Å; K137-Y139 VanDerWaalsContact CB-CE1 3.42Å; K137-Y139 HydrophobicContact CD-CE1 3.85Å; K137-Y139 HydrophobicContact CG-CE1 4.3Å; K137-Y139 PolarHBondContact O-N 2.96Å; Y139-T141 HydrophobicContact CD2-CG2 4.32Å; Y139-T141 HydrophobicContact CE2-CG2 3.84Å; Y139-T141 PolarHBondContact O-N 3.48Å |
| 140 | C | 82.1 | Confident | 82.2 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 109 | V132 W133 H142 | V132-C140 CarbonylContact O-C 3.53Å; V132-C140 WeakPolarHBondContact O-CA 3.05Å; V132-C140 PolarHBondContact O-SG 3.25Å; W133-C140 HydrophobicContact CD2-CB 4.34Å; W133-C140 HydrophobicContact CE3-CB 3.89Å; W133-C140 HydrophobicContact CH2-CB 4.26Å; W133-C140 HydrophobicContact CZ3-CB 3.85Å; C140-H142 PolarHBondContact SG-O 2.88Å; C140-H142 VanDerWaalsContact SG-O 3.32Å |
| 141 | T | 84.9 | Confident | 82 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -46.2 | -179.8 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | V132 D134 Y139 | V132-T141 PolarHBondContact O-N 3.2Å; V132-T141 PolarHBondContact O-OG1 3.13Å; V132-T141 VanDerWaalsContact O-OG1 3.12Å; D134-T141 HydrophobicContact CB-CG2 3.93Å; Y139-T141 HydrophobicContact CD2-CG2 4.32Å; Y139-T141 HydrophobicContact CE2-CG2 3.84Å; Y139-T141 PolarHBondContact O-N 3.48Å |
| 142 | H | 85.6 | Confident | 81.6 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 140.6 | -176 | -55.8 | -82 | 0 | 0 | 0 | 111.4 | K131 V132 C140 L144 L179 S182 | K131-H142 WeakPolarHBondContact CA-O 3.11Å; V132-H142 HydrophobicContact CB-CB 4.27Å; V132-H142 HydrophobicContact CG2-CB 4.41Å; V132-H142 PolarHBondContact N-O 3.5Å; C140-H142 PolarHBondContact SG-O 2.88Å; C140-H142 VanDerWaalsContact SG-O 3.32Å; H142-L144 HydrophobicContact CB-CD2 4.43Å; H142-L144 HydrophobicContact CB-CG 4.46Å; H142-L179 PolarHBondContact CE1-O 3.43Å; H142-L179 VanDerWaalsContact CE1-O 3.31Å; H142-S182 PolarHBondContact CE1-OG 3.34Å; H142-S182 VanDerWaalsContact CE1-OG 3.31Å; H142-S182 PolarHBondContact ND1-OG 3.44Å |
| 143 | N | 87.7 | Confident | 81.3 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 97.2 | 169.4 | -173.9 | 7.2 | 0 | 0 | 0 | 108.3 | K145 | N143-K145 WeakPolarHBondContact ND2-CE 3.31Å; N143-K145 PolarHBondContact O-N 2.98Å |
| 144 | L | 84.4 | Confident | 81.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 109.6 | -177.1 | -57.5 | 173.3 | 0 | 0 | 0 | 108.6 | I130 H142 L165 W177 | I130-L144 HydrophobicContact CB-CB 4.23Å; I130-L144 HydrophobicContact CG2-CD1 4.46Å; I130-L144 PolarHBondContact N-O 3.38Å; I130-L144 VanDerWaalsContact N-O 3.12Å; I130-L144 PolarHBondContact O-N 3.25Å; H142-L144 HydrophobicContact CB-CD2 4.43Å; H142-L144 HydrophobicContact CB-CG 4.46Å; L144-L165 HydrophobicContact CD1-CD2 3.86Å; L144-W177 HydrophobicContact CB-CD2 4.34Å; L144-W177 HydrophobicContact CB-CE3 4.11Å; L144-W177 HydrophobicContact CB-CH2 4.41Å; L144-W177 HydrophobicContact CB-CZ3 4.14Å; L144-W177 HydrophobicContact CD1-CB 3.99Å; L144-W177 HydrophobicContact CD1-CD2 4.04Å; L144-W177 HydrophobicContact CD1-CE3 4.22Å; L144-W177 HydrophobicContact CD1-CG 3.94Å; L144-W177 HydrophobicContact CD2-CE3 3.9Å; L144-W177 HydrophobicContact CD2-CZ3 4.35Å; L144-W177 HydrophobicContact CG-CE3 4.3Å |
| 145 | K | 79.9 | Confident | 81.3 | Confident | 150 Ų | 150 | 56.8 Ų | 56.8 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.5 | 175.3 | -63.3 | -174.7 | 179.4 | -176.8 | 0 | 108.8 | T129 N143 | T129-K145 HydrophobicContact CG2-CG 4.23Å; N143-K145 WeakPolarHBondContact ND2-CE 3.31Å; N143-K145 PolarHBondContact O-N 2.98Å |
| 146 | G | 72.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | trans | 162.2 | -20.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R175 | G146-R175 VanDerWaalsContact C-NH1 3.32Å; G146-R175 PolarHBondContact O-NH1 2.78Å; G146-R175 PolarHBondContact O-NH2 3.17Å | ||
| 147 | S | 75.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -60.1 | 143 | 167.8 | 15.5 | 0 | 0 | 0 | 0 | 111.1 | A128 | A128-S147 WeakPolarHBondContact CB-O 3.44Å; A128-S147 PolarHBondContact O-OG 2.98Å | ||
| 148 | S | 75.1 | Confident | 81.9 | Confident | 55 Ų | 55 | 48 Ų | 48 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | trans | -103.9 | 118.9 | 170 | 12.6 | 0 | 0 | 0 | 0 | 108.4 | S169 D171 R175 | S148-S169 WeakPolarHBondContact O-CB 3.44Å; S148-D171 WeakPolarHBondContact CB-OD1 3.18Å; S148-D171 WeakPolarHBondContact CB-OD2 3.38Å; S148-D171 PolarHBondContact N-OD2 3.35Å; S148-D171 PolarHBondContact OG-OD1 3.05Å; S148-D171 PolarHBondContact OG-OD2 3.07Å; S148-R175 PolarHBondContact OG-NH2 2.89Å | ||
| 149 | G | 80.1 | Confident | 82.1 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 81.6 | -171 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | A128 | A128-G149 WeakPolarHBondContact CA-O 3.44Å; A128-G149 WeakPolarHBondContact CB-O 3.29Å |
| 150 | V | 84.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 46 Ų | 46 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | trans | -62.1 | 133.7 | -173.6 | 178 | 0 | 0 | 0 | 0 | 111.1 | C126 H152 S169 V170 | C126-V150 HydrophobicContact CB-CG1 4.43Å; C126-V150 HydrophobicContact CB-CG2 4.3Å; V150-H152 PolarHBondContact O-N 3.42Å; V150-S169 WeakPolarHBondContact O-CA 3.45Å; V150-V170 HydrophobicContact CB-CG2 3.8Å; V150-V170 HydrophobicContact CG2-CG2 4.42Å; V150-V170 PolarHBondContact O-N 3.39Å | ||
| 151 | V | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 104.5 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | I130 V154 S168 | I130-V151 HydrophobicContact CD1-CG1 4.17Å; I130-V151 HydrophobicContact CD1-CG2 4.38Å; I130-V151 HydrophobicContact CG1-CG1 4.08Å; I130-V151 HydrophobicContact CG1-CG2 3.97Å; V151-V154 HydrophobicContact CG1-CG2 3.51Å; V151-S168 WeakPolarHBondContact CA-O 3.49Å; V151-S168 WeakPolarHBondContact CG1-O 3.49Å |
| 152 | H | 79.9 | Confident | 80.8 | Confident | 91 Ų | 91 | 49 Ų | 49 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -40.4 | -175.6 | -73.4 | -65.5 | 0 | 0 | 0 | 112.8 | S111 V150 S168 | S111-H152 WeakPolarHBondContact CB-O 3.47Å; V150-H152 PolarHBondContact O-N 3.42Å; H152-S168 PolarHBondContact N-O 3.2Å; H152-S168 VanDerWaalsContact N-O 3.09Å |
| 153 | L | 82.8 | Confident | 80.5 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.9 | -177.6 | -167.6 | 90.8 | 0 | 0 | 0 | 110.4 | S167 S168 L198 | L153-S167 CarbonylContact O-C 3.44Å; L153-S167 VanDerWaalsContact O-CA 3.3Å; L153-S167 WeakPolarHBondContact O-CA 3.41Å; L153-S168 WeakPolarHBondContact CB-OG 3.21Å; L153-S168 PolarHBondContact N-OG 3.26Å; L153-S168 VanDerWaalsContact N-OG 3.14Å; L153-S168 PolarHBondContact O-N 3.21Å; L153-L198 HydrophobicContact CD2-CB 3.7Å; L153-L198 HydrophobicContact CD2-CD1 3.6Å; L153-L198 HydrophobicContact CD2-CG 3.39Å |
| 154 | V | 87.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.3 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | S111 T113 A122 I130 V151 L165 F166 | S111-V154 WeakPolarHBondContact OG-CG2 3.27Å; T113-V154 HydrophobicContact CG2-CB 4.33Å; T113-V154 HydrophobicContact CG2-CG1 3.89Å; T113-V154 VanDerWaalsContact CG2-O 3.26Å; T113-V154 WeakPolarHBondContact CG2-O 3.36Å; A122-V154 HydrophobicContact CB-CG1 3.72Å; I130-V154 HydrophobicContact CG1-CG2 4.48Å; I130-V154 HydrophobicContact CG2-CG1 4.46Å; I130-V154 HydrophobicContact CG2-CG2 4.49Å; V151-V154 HydrophobicContact CG1-CG2 3.51Å; V154-L165 HydrophobicContact CG1-CD1 3.47Å; V154-L165 VanDerWaalsContact CG1-CD1 3.47Å; V154-L165 HydrophobicContact CG1-CD2 4.19Å; V154-L165 HydrophobicContact CG1-CG 4.05Å; V154-F166 WeakPolarHBondContact CA-O 3.27Å |
| 155 | Q | 86.7 | Confident | 80.6 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.4 | 179.4 | -160.8 | 179.4 | 19.8 | 0 | 0 | 111.6 | F166 L198 F200 | Q155-F166 PolarHBondContact N-O 2.91Å; Q155-F166 PolarHBondContact O-N 3.02Å; Q155-L198 PolarHBondContact NE2-O 2.82Å; Q155-L198 PolarHBondContact OE1-O 3.1Å; Q155-F200 HydrophobicContact CB-CE2 4.36Å; Q155-F200 HydrophobicContact CG-CE2 3.94Å; Q155-F200 VanDerWaalsContact OE1-CE2 3.29Å |
| 156 | F | 88.4 | Confident | 81 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 152.6 | 172.6 | -71.6 | -83.6 | 0 | 0 | 0 | 111.7 | T113 F114 D115 L120 A122 L165 L179 | T113-F156 HydrophobicContact CG2-CD2 3.61Å; T113-F156 HydrophobicContact CG2-CE2 3.77Å; F114-F156 WeakPolarHBondContact O-CD2 3.28Å; D115-F156 HydrophobicContact CB-CD1 4.33Å; D115-F156 HydrophobicContact CB-CD2 3.99Å; D115-F156 HydrophobicContact CB-CE1 4.4Å; D115-F156 HydrophobicContact CB-CE2 4.05Å; D115-F156 HydrophobicContact CB-CG 4.11Å; D115-F156 HydrophobicContact CB-CZ 4.26Å; L120-F156 HydrophobicContact CB-CZ 4.32Å; A122-F156 HydrophobicContact CB-CE2 3.57Å; A122-F156 HydrophobicContact CB-CZ 3.54Å; F156-L165 HydrophobicContact CD1-CB 4.44Å; F156-L165 HydrophobicContact CD1-CD1 3.71Å; F156-L165 HydrophobicContact CD2-CD1 4.14Å; F156-L165 HydrophobicContact CE1-CD1 3.76Å; F156-L165 HydrophobicContact CE2-CD1 4.2Å; F156-L165 HydrophobicContact CG-CD1 3.92Å; F156-L165 HydrophobicContact CZ-CD1 4.02Å; F156-L179 HydrophobicContact CD1-CD1 4.25Å; F156-L179 HydrophobicContact CE1-CD1 3.74Å |
| 157 | H | 83.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | trans | -64.7 | 139.6 | 167.8 | -170.3 | -84.5 | 0 | 0 | 0 | 110.6 | D159 Q164 F166 G204 | H157-D159 VanDerWaalsContact C-N 3.34Å; H157-D159 VanDerWaalsContact CE1-CB 3.49Å; H157-D159 WeakPolarHBondContact CE1-CB 3.17Å; H157-D159 IonicContact CE1-OD2 2.85Å; H157-D159 PolarHBondContact CE1-OD2 3.07Å; H157-D159 WeakPolarHBondContact ND1-CB 3.37Å; H157-D159 PolarHBondContact ND1-N 3.12Å; H157-D159 PolarHBondContact O-N 3.28Å; H157-Q164 HydrophobicContact CB-CB 4.01Å; H157-Q164 PolarHBondContact N-O 2.99Å; H157-F166 HydrophobicContact CB-CE2 4.19Å; H157-G204 PolarHBondContact NE2-O 2.93Å | ||
| 158 | P | 78.1 | Confident | 82.1 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -65.3 | -31.7 | -178.5 | 22.4 | -32.6 | 0 | 0 | 0 | 113.8 | I160 F200 | P158-I160 PolarHBondContact O-N 2.67Å; P158-F200 HydrophobicContact CG-CB 3.66Å; P158-F200 HydrophobicContact CG-CG 4.12Å |
| 159 | D | 77.1 | Confident | 82.4 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | trans | -74.5 | 117.8 | 172.3 | -63.8 | -18.8 | 0 | 0 | 0 | 111.4 | H157 S161 R162 | H157-D159 VanDerWaalsContact C-N 3.34Å; H157-D159 VanDerWaalsContact CE1-CB 3.49Å; H157-D159 WeakPolarHBondContact CE1-CB 3.17Å; H157-D159 IonicContact CE1-OD2 2.85Å; H157-D159 PolarHBondContact CE1-OD2 3.07Å; H157-D159 WeakPolarHBondContact ND1-CB 3.37Å; H157-D159 PolarHBondContact ND1-N 3.12Å; H157-D159 PolarHBondContact O-N 3.28Å; D159-S161 PolarHBondContact O-N 2.97Å; D159-R162 HydrophobicContact CB-CG 4.18Å; D159-R162 PolarHBondContact O-N 2.93Å; D159-R162 IonicContact OD2-CZ 3.28Å; D159-R162 VanDerWaalsContact OD2-CZ 3.29Å; D159-R162 IonicContact OD2-NE 3.35Å; D159-R162 PolarHBondContact OD2-NE 3.34Å; D159-R162 IonicContact OD2-NH2 3.51Å; D159-R162 PolarHBondContact OD2-NH2 3.27Å | ||
| 160 | I | 75.6 | Confident | 82.5 | Confident | 102 Ų | 102 | 37.4 Ų | 37.4 | 52% | 0.523 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.7 | -34.9 | 175.2 | -58.3 | 167.8 | 0 | 0 | 0 | 111.4 | P116 P158 R162 L163 | P116-I160 HydrophobicContact CB-CG1 4.14Å; P158-I160 PolarHBondContact O-N 2.67Å; I160-R162 VanDerWaalsContact C-N 3.32Å; I160-R162 PolarHBondContact O-N 3.12Å; I160-L163 WeakPolarHBondContact O-CD2 3.31Å; I160-L163 WeakPolarHBondContact O-CG 3.42Å |
| 161 | S | 71.8 | Confident | 82.3 | Confident | 89 Ų | 89 | 39 Ų | 39 | 62% | 0.622 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -72.8 | -19.3 | -174.3 | 64.2 | 0 | 0 | 0 | 0 | 114.7 | D159 R180 | D159-S161 PolarHBondContact O-N 2.97Å; S161-R180 PolarHBondContact O-NH2 3.27Å |
| 162 | R | 73.4 | Confident | 82.2 | Confident | 55 Ų | 55 | 40 Ų | 40 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -86.9 | -24.2 | -178.6 | -62.3 | -166.2 | -163 | 162.3 | 22.4 | 112.6 | D159 I160 Q164 R180 G204 H205 | D159-R162 HydrophobicContact CB-CG 4.18Å; D159-R162 PolarHBondContact O-N 2.93Å; D159-R162 IonicContact OD2-CZ 3.28Å; D159-R162 VanDerWaalsContact OD2-CZ 3.29Å; D159-R162 IonicContact OD2-NE 3.35Å; D159-R162 PolarHBondContact OD2-NE 3.34Å; D159-R162 IonicContact OD2-NH2 3.51Å; D159-R162 PolarHBondContact OD2-NH2 3.27Å; I160-R162 VanDerWaalsContact C-N 3.32Å; I160-R162 PolarHBondContact O-N 3.12Å; R162-Q164 HydrophobicContact CB-CG 4.47Å; R162-Q164 PolarHBondContact O-N 3.25Å; R162-R180 PolarHBondContact O-NH2 3.43Å; R162-G204 PolarHBondContact NH1-O 2.71Å; R162-H205 PolarHBondContact NH1-ND1 3.12Å; R162-H205 PolarHBondContact NH2-CE1 3.27Å; R162-H205 PolarHBondContact NH2-ND1 3.45Å |
| 163 | L | 80.9 | Confident | 82.3 | Confident | 67 Ų | 67 | 35.9 Ų | 35.9 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | trans | 41.6 | 48.5 | -179.1 | -68.2 | 178.4 | 0 | 0 | 0 | 112.6 | I160 L179 R180 | I160-L163 WeakPolarHBondContact O-CD2 3.31Å; I160-L163 WeakPolarHBondContact O-CG 3.42Å; L163-L179 HydrophobicContact CB-CB 4.29Å; L163-L179 HydrophobicContact CB-CD1 4.28Å; L163-L179 WeakPolarHBondContact O-CB 3.23Å; L163-L179 VanDerWaalsContact O-CG 3.31Å; L163-L179 WeakPolarHBondContact O-CG 3.36Å; L163-L179 PolarHBondContact O-N 3.12Å; L163-R180 HydrophobicContact CD1-CG 4.34Å | ||
| 164 | Q | 85.2 | Confident | 82.5 | Confident | 41 Ų | 41 | 34 Ų | 34 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.5 | 179.8 | -81.5 | 173.8 | -8.2 | 0 | 0 | 110.5 | H157 R162 F166 L176 W177 | H157-Q164 HydrophobicContact CB-CB 4.01Å; H157-Q164 PolarHBondContact N-O 2.99Å; R162-Q164 HydrophobicContact CB-CG 4.47Å; R162-Q164 PolarHBondContact O-N 3.25Å; Q164-F166 HydrophobicContact CB-CE2 4.35Å; Q164-L176 HydrophobicContact CB-CD1 3.76Å; Q164-L176 HydrophobicContact CG-CD1 3.87Å; Q164-W177 CarbonylContact C-O 3.55Å; Q164-W177 WeakPolarHBondContact CA-O 3.47Å |
| 165 | L | 87.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.7 | 178.3 | -177.2 | 68.8 | 0 | 0 | 0 | 109.1 | A122 I130 V132 L144 V154 F156 W177 L179 | A122-L165 HydrophobicContact CB-CD1 4.01Å; A122-L165 HydrophobicContact CB-CD2 4.24Å; I130-L165 HydrophobicContact CG2-CD2 3.79Å; V132-L165 HydrophobicContact CG2-CD2 4.23Å; L144-L165 HydrophobicContact CD1-CD2 3.86Å; V154-L165 HydrophobicContact CG1-CD1 3.47Å; V154-L165 VanDerWaalsContact CG1-CD1 3.47Å; V154-L165 HydrophobicContact CG1-CD2 4.19Å; V154-L165 HydrophobicContact CG1-CG 4.05Å; F156-L165 HydrophobicContact CD1-CB 4.44Å; F156-L165 HydrophobicContact CD1-CD1 3.71Å; F156-L165 HydrophobicContact CD2-CD1 4.14Å; F156-L165 HydrophobicContact CE1-CD1 3.76Å; F156-L165 HydrophobicContact CE2-CD1 4.2Å; F156-L165 HydrophobicContact CG-CD1 3.92Å; F156-L165 HydrophobicContact CZ-CD1 4.02Å; L165-W177 HydrophobicContact CB-CB 4.21Å; L165-W177 PolarHBondContact N-O 3.14Å; L165-W177 PolarHBondContact O-N 3.2Å; L165-L179 HydrophobicContact CB-CD2 4.42Å |
| 166 | F | 87.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.2 | 175 | -65.7 | -100.4 | 0 | 0 | 0 | 109.3 | V154 Q155 H157 Q164 V174 R175 L176 L198 F200 M207 L221 | V154-F166 WeakPolarHBondContact CA-O 3.27Å; Q155-F166 PolarHBondContact N-O 2.91Å; Q155-F166 PolarHBondContact O-N 3.02Å; H157-F166 HydrophobicContact CB-CE2 4.19Å; Q164-F166 HydrophobicContact CB-CE2 4.35Å; F166-V174 HydrophobicContact CD1-CG1 4.15Å; F166-R175 WeakPolarHBondContact CA-O 3.36Å; F166-L176 HydrophobicContact CD1-CD1 4.07Å; F166-L176 HydrophobicContact CD2-CD1 4.18Å; F166-L176 HydrophobicContact CE1-CB 4.34Å; F166-L176 HydrophobicContact CE1-CD1 3.63Å; F166-L176 HydrophobicContact CE1-CG 4.4Å; F166-L176 HydrophobicContact CE2-CD1 3.75Å; F166-L176 HydrophobicContact CG-CD1 4.34Å; F166-L176 HydrophobicContact CZ-CD1 3.46Å; F166-L176 VanDerWaalsContact CZ-CD1 3.46Å; F166-L198 HydrophobicContact CB-CD1 3.84Å; F166-F200 HydrophobicContact CB-CZ 4.38Å; F166-F200 HydrophobicContact CD1-CZ 4.32Å; F166-F200 AromaticContact CD2-CE1 3.82Å; F166-F200 HydrophobicContact CD2-CE1 3.82Å; F166-F200 HydrophobicContact CD2-CE2 4.29Å; F166-F200 AromaticContact CD2-CZ 3.28Å; F166-F200 HydrophobicContact CD2-CZ 3.28Å; F166-F200 HydrophobicContact CE1-CE1 4.24Å; F166-F200 HydrophobicContact CE1-CZ 4.45Å; F166-F200 AromaticContact CE2-CE1 3.46Å; F166-F200 HydrophobicContact CE2-CE1 3.46Å; F166-F200 VanDerWaalsContact CE2-CE1 3.46Å; F166-F200 AromaticContact CE2-CZ 3.45Å; F166-F200 HydrophobicContact CE2-CZ 3.45Å; F166-F200 VanDerWaalsContact CE2-CZ 3.45Å; F166-F200 HydrophobicContact CG-CE1 4.34Å; F166-F200 AromaticContact CG-CZ 3.75Å; F166-F200 HydrophobicContact CG-CZ 3.75Å; F166-F200 AromaticContact CZ-CE1 3.69Å; F166-F200 HydrophobicContact CZ-CE1 3.69Å; F166-F200 HydrophobicContact CZ-CZ 4.04Å; F166-M207 HydrophobicContact CD1-CE 4.48Å; F166-M207 HydrophobicContact CD1-SD 3.76Å; F166-M207 HydrophobicContact CE1-CE 4.37Å; F166-M207 HydrophobicContact CE1-SD 3.69Å; F166-M207 HydrophobicContact CG-SD 4.44Å; F166-M207 HydrophobicContact CZ-SD 4.33Å; F166-L221 HydrophobicContact CE1-CD2 3.75Å; F166-L221 HydrophobicContact CZ-CD1 4.15Å; F166-L221 HydrophobicContact CZ-CD2 3.62Å |
| 167 | S | 87.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.3 | 176.9 | 66 | 0 | 0 | 0 | 0 | 111.3 | L153 R175 W177 | L153-S167 CarbonylContact O-C 3.44Å; L153-S167 VanDerWaalsContact O-CA 3.3Å; L153-S167 WeakPolarHBondContact O-CA 3.41Å; S167-R175 PolarHBondContact N-O 2.85Å; S167-R175 PolarHBondContact O-N 3.19Å; S167-W177 PolarHBondContact OG-NE1 3.11Å |
| 168 | S | 85.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.2 | 167.2 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | V151 H152 L153 V195 | V151-S168 WeakPolarHBondContact CA-O 3.49Å; V151-S168 WeakPolarHBondContact CG1-O 3.49Å; H152-S168 PolarHBondContact N-O 3.2Å; H152-S168 VanDerWaalsContact N-O 3.09Å; L153-S168 WeakPolarHBondContact CB-OG 3.21Å; L153-S168 PolarHBondContact N-OG 3.26Å; L153-S168 VanDerWaalsContact N-OG 3.14Å; L153-S168 PolarHBondContact O-N 3.21Å; S168-V195 PolarHBondContact OG-O 2.99Å |
| 169 | S | 82.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 173.4 | 172.8 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | S148 V150 D171 C172 | S148-S169 WeakPolarHBondContact O-CB 3.44Å; V150-S169 WeakPolarHBondContact O-CA 3.45Å; S169-D171 PolarHBondContact O-N 3.5Å; S169-D171 VanDerWaalsContact O-N 3.17Å; S169-D171 PolarHBondContact OG-OD2 2.96Å; S169-C172 PolarHBondContact O-N 3.23Å; S169-C172 VanDerWaalsContact O-N 3.1Å |
| 170 | V | 81.7 | Confident | 83.3 | Confident | 72 Ų | 72 | 37.1 Ų | 37.1 | 44% | 0.436 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.2 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | V150 C172 | V150-V170 HydrophobicContact CB-CG2 3.8Å; V150-V170 HydrophobicContact CG2-CG2 4.42Å; V150-V170 PolarHBondContact O-N 3.39Å; V170-C172 PolarHBondContact O-N 2.98Å; V170-C172 PolarHBondContact O-SG 3.43Å; V170-C172 VanDerWaalsContact O-SG 3.33Å |
| 171 | D | 80.3 | Confident | 83.4 | Confident | 78 Ų | 78 | 34.9 Ų | 34.9 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 7.2 | 176.9 | -35.8 | -57 | 0 | 0 | 0 | 113.9 | S148 S169 G173 R175 | S148-D171 WeakPolarHBondContact CB-OD1 3.18Å; S148-D171 WeakPolarHBondContact CB-OD2 3.38Å; S148-D171 PolarHBondContact N-OD2 3.35Å; S148-D171 PolarHBondContact OG-OD1 3.05Å; S148-D171 PolarHBondContact OG-OD2 3.07Å; S169-D171 PolarHBondContact O-N 3.5Å; S169-D171 VanDerWaalsContact O-N 3.17Å; S169-D171 PolarHBondContact OG-OD2 2.96Å; D171-G173 PolarHBondContact O-N 3.45Å; D171-R175 IonicContact OD2-NH2 3.88Å |
| 172 | C | 81.6 | Confident | 83.7 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 14% | 0.142 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 66.2 | -7.6 | 177.4 | -49.8 | 0 | 0 | 0 | 0 | 114.7 | S169 V170 H191 S193 V195 | S169-C172 PolarHBondContact O-N 3.23Å; S169-C172 VanDerWaalsContact O-N 3.1Å; V170-C172 PolarHBondContact O-N 2.98Å; V170-C172 PolarHBondContact O-SG 3.43Å; V170-C172 VanDerWaalsContact O-SG 3.33Å; C172-H191 HydrophobicContact CB-CB 4.31Å; C172-H191 WeakPolarHBondContact CB-O 3.32Å; C172-S193 VanDerWaalsContact CB-O 3.31Å; C172-S193 WeakPolarHBondContact CB-O 3.28Å; C172-S193 WeakPolarHBondContact SG-CA 3.5Å; C172-S193 PolarHBondContact SG-O 3.37Å; C172-S193 VanDerWaalsContact SG-O 3.35Å; C172-V195 WeakPolarHBondContact O-CG2 3.37Å |
| 173 | G | 83.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 138.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D171 L188 | D171-G173 PolarHBondContact O-N 3.45Å; G173-L188 WeakPolarHBondContact CA-O 3.23Å |
| 174 | V | 86.8 | Confident | 84 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.4 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | F166 L188 V195 L198 M207 | F166-V174 HydrophobicContact CD1-CG1 4.15Å; V174-L188 HydrophobicContact CB-CB 4.22Å; V174-L188 PolarHBondContact N-O 3.39Å; V174-L188 WeakPolarHBondContact O-CB 3.45Å; V174-L188 PolarHBondContact O-N 3.06Å; V174-V195 HydrophobicContact CG2-CB 4.4Å; V174-V195 HydrophobicContact CG2-CG1 4.02Å; V174-V195 HydrophobicContact CG2-CG2 4.01Å; V174-L198 HydrophobicContact CG1-CD1 3.95Å; V174-L198 HydrophobicContact CG1-CD2 4.34Å; V174-L198 HydrophobicContact CG2-CD2 4.17Å; V174-M207 HydrophobicContact CG1-CE 4.36Å |
| 175 | R | 88 | Confident | 83.8 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 13% | 0.125 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.6 | -179.3 | -55.9 | -176.4 | -179.5 | -140.9 | 11.7 | 110.8 | G146 S148 F166 S167 D171 C186 V187 | G146-R175 VanDerWaalsContact C-NH1 3.32Å; G146-R175 PolarHBondContact O-NH1 2.78Å; G146-R175 PolarHBondContact O-NH2 3.17Å; S148-R175 PolarHBondContact OG-NH2 2.89Å; F166-R175 WeakPolarHBondContact CA-O 3.36Å; S167-R175 PolarHBondContact N-O 2.85Å; S167-R175 PolarHBondContact O-N 3.19Å; D171-R175 IonicContact OD2-NH2 3.88Å; R175-C186 WeakPolarHBondContact CA-O 3.39Å; R175-V187 HydrophobicContact CG-CG1 4.27Å; R175-V187 HydrophobicContact CG-CG2 4.2Å |
| 176 | L | 88.7 | Confident | 83.3 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.2 | 173.6 | 176.8 | 58.1 | 0 | 0 | 0 | 109.6 | Q164 F166 V185 C186 | Q164-L176 HydrophobicContact CB-CD1 3.76Å; Q164-L176 HydrophobicContact CG-CD1 3.87Å; F166-L176 HydrophobicContact CD1-CD1 4.07Å; F166-L176 HydrophobicContact CD2-CD1 4.18Å; F166-L176 HydrophobicContact CE1-CB 4.34Å; F166-L176 HydrophobicContact CE1-CD1 3.63Å; F166-L176 HydrophobicContact CE1-CG 4.4Å; F166-L176 HydrophobicContact CE2-CD1 3.75Å; F166-L176 HydrophobicContact CG-CD1 4.34Å; F166-L176 HydrophobicContact CZ-CD1 3.46Å; F166-L176 VanDerWaalsContact CZ-CD1 3.46Å; L176-V185 HydrophobicContact CD2-CB 4.43Å; L176-V185 HydrophobicContact CD2-CG1 4.48Å; L176-V185 HydrophobicContact CG-CB 4.32Å; L176-V185 PolarHBondContact O-N 3.1Å; L176-C186 HydrophobicContact CB-CB 4.34Å; L176-C186 PolarHBondContact N-O 3.09Å |
| 177 | W | 86.9 | Confident | 83.1 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.6 | 174.4 | -56 | 90.7 | 0 | 0 | 0 | 109.5 | L144 Q164 L165 S167 C184 | L144-W177 HydrophobicContact CB-CD2 4.34Å; L144-W177 HydrophobicContact CB-CE3 4.11Å; L144-W177 HydrophobicContact CB-CH2 4.41Å; L144-W177 HydrophobicContact CB-CZ3 4.14Å; L144-W177 HydrophobicContact CD1-CB 3.99Å; L144-W177 HydrophobicContact CD1-CD2 4.04Å; L144-W177 HydrophobicContact CD1-CE3 4.22Å; L144-W177 HydrophobicContact CD1-CG 3.94Å; L144-W177 HydrophobicContact CD2-CE3 3.9Å; L144-W177 HydrophobicContact CD2-CZ3 4.35Å; L144-W177 HydrophobicContact CG-CE3 4.3Å; Q164-W177 CarbonylContact C-O 3.55Å; Q164-W177 WeakPolarHBondContact CA-O 3.47Å; L165-W177 HydrophobicContact CB-CB 4.21Å; L165-W177 PolarHBondContact N-O 3.14Å; L165-W177 PolarHBondContact O-N 3.2Å; S167-W177 PolarHBondContact OG-NE1 3.11Å; W177-C184 HydrophobicContact CD2-CB 4.16Å; W177-C184 HydrophobicContact CE3-CB 3.69Å; W177-C184 HydrophobicContact CH2-CB 3.82Å; W177-C184 HydrophobicContact CZ2-CB 4.27Å; W177-C184 HydrophobicContact CZ3-CB 3.51Å |
| 178 | D | 86.3 | Confident | 82.9 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.9 | 169.5 | 171.8 | 35 | 0 | 0 | 0 | 108.7 | R180 S181 S182 Q183 V185 | D178-R180 VanDerWaalsContact C-N 3.31Å; D178-R180 PolarHBondContact O-N 3.17Å; D178-R180 PolarHBondContact OD1-N 2.96Å; D178-R180 IonicContact OD1-NE 3.86Å; D178-S181 WeakPolarHBondContact CB-OG 3.3Å; D178-S181 PolarHBondContact OD2-OG 3.32Å; D178-S182 WeakPolarHBondContact O-CA 3.42Å; D178-S182 PolarHBondContact O-N 2.83Å; D178-Q183 PolarHBondContact N-O 3.44Å; D178-V185 HydrophobicContact CB-CG2 3.65Å |
| 179 | L | 83.2 | Confident | 82.7 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -26.7 | -174.6 | -61 | 167.2 | 0 | 0 | 0 | 111.6 | V132 H142 F156 L163 L165 | V132-L179 HydrophobicContact CG2-CD2 3.96Å; H142-L179 PolarHBondContact CE1-O 3.43Å; H142-L179 VanDerWaalsContact CE1-O 3.31Å; F156-L179 HydrophobicContact CD1-CD1 4.25Å; F156-L179 HydrophobicContact CE1-CD1 3.74Å; L163-L179 HydrophobicContact CB-CB 4.29Å; L163-L179 HydrophobicContact CB-CD1 4.28Å; L163-L179 WeakPolarHBondContact O-CB 3.23Å; L163-L179 VanDerWaalsContact O-CG 3.31Å; L163-L179 WeakPolarHBondContact O-CG 3.36Å; L163-L179 PolarHBondContact O-N 3.12Å; L165-L179 HydrophobicContact CB-CD2 4.42Å |
| 180 | R | 84.6 | Confident | 82.3 | Confident | 167 Ų | 167 | 51.6 Ų | 51.6 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -44.2 | 176.7 | -76.1 | -178.7 | -75.6 | -158.9 | -14.8 | 112 | S161 R162 L163 D178 | S161-R180 PolarHBondContact O-NH2 3.27Å; R162-R180 PolarHBondContact O-NH2 3.43Å; L163-R180 HydrophobicContact CD1-CG 4.34Å; D178-R180 VanDerWaalsContact C-N 3.31Å; D178-R180 PolarHBondContact O-N 3.17Å; D178-R180 PolarHBondContact OD1-N 2.96Å; D178-R180 IonicContact OD1-NE 3.86Å |
| 181 | S | 78.9 | Confident | 82.3 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 38% | 0.378 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.8 | 179.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | D178 Q183 | D178-S181 WeakPolarHBondContact CB-OG 3.3Å; D178-S181 PolarHBondContact OD2-OG 3.32Å; S181-Q183 WeakPolarHBondContact O-CG 3.42Å; S181-Q183 PolarHBondContact O-N 3.29Å |
| 182 | S | 78.2 | Confident | 82.5 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 26.6 | -176.4 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | H142 D178 | H142-S182 PolarHBondContact CE1-OG 3.34Å; H142-S182 VanDerWaalsContact CE1-OG 3.31Å; H142-S182 PolarHBondContact ND1-OG 3.44Å; D178-S182 WeakPolarHBondContact O-CA 3.42Å; D178-S182 PolarHBondContact O-N 2.83Å |
| 183 | Q | 80.9 | Confident | 82.6 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.6 | -175.9 | -73.1 | 179.6 | 3.3 | 0 | 0 | 111.9 | D178 S181 V185 | D178-Q183 PolarHBondContact N-O 3.44Å; S181-Q183 WeakPolarHBondContact O-CG 3.42Å; S181-Q183 PolarHBondContact O-N 3.29Å; Q183-V185 PolarHBondContact O-N 3.45Å |
| 184 | C | 78.9 | Confident | 82.7 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 115.7 | 168.6 | 56.5 | 0 | 0 | 0 | 0 | 109.4 | W177 | W177-C184 HydrophobicContact CD2-CB 4.16Å; W177-C184 HydrophobicContact CE3-CB 3.69Å; W177-C184 HydrophobicContact CH2-CB 3.82Å; W177-C184 HydrophobicContact CZ2-CB 4.27Å; W177-C184 HydrophobicContact CZ3-CB 3.51Å |
| 185 | V | 80.8 | Confident | 82.6 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -38.4 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | L176 D178 Q183 | L176-V185 HydrophobicContact CD2-CB 4.43Å; L176-V185 HydrophobicContact CD2-CG1 4.48Å; L176-V185 HydrophobicContact CG-CB 4.32Å; L176-V185 PolarHBondContact O-N 3.1Å; D178-V185 HydrophobicContact CB-CG2 3.65Å; Q183-V185 PolarHBondContact O-N 3.45Å |
| 186 | C | 77.3 | Confident | 82.3 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 147.4 | -175 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | R175 L176 | R175-C186 WeakPolarHBondContact CA-O 3.39Å; L176-C186 HydrophobicContact CB-CB 4.34Å; L176-C186 PolarHBondContact N-O 3.09Å |
| 187 | V | 84.2 | Confident | 82 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.1 | 167.4 | -172.9 | 0 | 0 | 0 | 0 | 107 | R175 E189 | R175-V187 HydrophobicContact CG-CG1 4.27Å; R175-V187 HydrophobicContact CG-CG2 4.2Å; V187-E189 HydrophobicContact CG1-CG 3.89Å |
| 188 | L | 82.7 | Confident | 82 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.7 | 179.1 | -59.1 | 175.1 | 0 | 0 | 0 | 108.3 | G173 V174 M207 W219 | G173-L188 WeakPolarHBondContact CA-O 3.23Å; V174-L188 HydrophobicContact CB-CB 4.22Å; V174-L188 PolarHBondContact N-O 3.39Å; V174-L188 WeakPolarHBondContact O-CB 3.45Å; V174-L188 PolarHBondContact O-N 3.06Å; L188-M207 HydrophobicContact CD1-CE 3.79Å; L188-W219 HydrophobicContact CB-CE3 4.33Å; L188-W219 HydrophobicContact CB-CH2 3.64Å; L188-W219 HydrophobicContact CB-CZ2 3.89Å; L188-W219 HydrophobicContact CB-CZ3 3.87Å; L188-W219 HydrophobicContact CD1-CD2 4.05Å; L188-W219 HydrophobicContact CD1-CE3 4.06Å; L188-W219 HydrophobicContact CD1-CG 4.47Å; L188-W219 HydrophobicContact CD1-CZ3 4.43Å; L188-W219 HydrophobicContact CD2-CE3 3.86Å; L188-W219 HydrophobicContact CD2-CH2 4.38Å; L188-W219 HydrophobicContact CD2-CZ3 3.72Å; L188-W219 HydrophobicContact CG-CE3 4.31Å; L188-W219 HydrophobicContact CG-CH2 4.46Å; L188-W219 HydrophobicContact CG-CZ3 4.21Å |
| 189 | E | 80.5 | Confident | 81.9 | Confident | 163 Ų | 163 | 56.6 Ų | 56.6 | 76% | 0.762 | 30% | 0.297 | S | S | * | . | trans | -108.8 | 98.4 | -177.9 | -63.2 | -179.5 | 176.6 | 0 | 0 | 109.8 | V187 | V187-E189 HydrophobicContact CG1-CG 3.89Š| ||
| 190 | S | 74.3 | Confident | 82 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | trans | -135.8 | -9.5 | 169 | 73.4 | 0 | 0 | 0 | 0 | 113.7 | T217 W219 | S190-T217 WeakPolarHBondContact OG-CG2 3.47Å; S190-T217 PolarHBondContact OG-OG1 3.18Å; S190-W219 WeakPolarHBondContact OG-CZ2 3.43Å | ||
| 191 | H | 82.4 | Confident | 81.8 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | trans | -101.1 | 141.5 | -175.6 | -73.2 | -75.3 | 0 | 0 | 0 | 110 | C172 V195 S209 D213 T217 | C172-H191 HydrophobicContact CB-CB 4.31Å; C172-H191 WeakPolarHBondContact CB-O 3.32Å; H191-V195 HydrophobicContact CB-CG2 3.9Å; H191-S209 PolarHBondContact NE2-OG 2.7Å; H191-D213 WeakPolarHBondContact CA-OD2 3.46Å; H191-D213 WeakPolarHBondContact CB-OD2 3.33Å; H191-D213 IonicContact CG-OD2 2.83Å; H191-D213 IonicContact ND1-OD1 3.98Å; H191-D213 PolarHBondContact ND1-OD1 3.45Å; H191-D213 IonicContact ND1-OD2 3.35Å; H191-D213 PolarHBondContact ND1-OD2 2.89Å; H191-T217 PolarHBondContact NE2-OG1 3.27Å; H191-T217 VanDerWaalsContact NE2-OG1 3.12Å | ||
| 192 | Y | 83.4 | Confident | 81.3 | Confident | 203 Ų | 203 | 55.9 Ų | 55.9 | 80% | 0.796 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -103.3 | -4.2 | 177.9 | -64.4 | -84.4 | 0 | 0 | 0 | 112.3 | D213 | Y192-D213 PolarHBondContact N-OD2 2.98Š|
| 193 | S | 85.1 | Confident | 80.8 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -139.6 | 174.2 | 176.2 | -163.5 | 0 | 0 | 0 | 0 | 110.4 | C172 V195 | C172-S193 VanDerWaalsContact CB-O 3.31Å; C172-S193 WeakPolarHBondContact CB-O 3.28Å; C172-S193 WeakPolarHBondContact SG-CA 3.5Å; C172-S193 PolarHBondContact SG-O 3.37Å; C172-S193 VanDerWaalsContact SG-O 3.35Å; S193-V195 PolarHBondContact O-N 3.28Å |
| 194 | A | 83.8 | Confident | 80.3 | Confident | 23 Ų | 23 | 51 Ų | 51 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | trans | -56.5 | 132.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G211 R212 | A194-G211 WeakPolarHBondContact O-CA 3.36Å; A194-R212 PolarHBondContact O-N 3.2Å; A194-R212 VanDerWaalsContact O-N 3.12Å | ||
| 195 | V | 85.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.3 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | S168 C172 V174 H191 S193 L198 S210 | S168-V195 PolarHBondContact OG-O 2.99Å; C172-V195 WeakPolarHBondContact O-CG2 3.37Å; V174-V195 HydrophobicContact CG2-CB 4.4Å; V174-V195 HydrophobicContact CG2-CG1 4.02Å; V174-V195 HydrophobicContact CG2-CG2 4.01Å; H191-V195 HydrophobicContact CB-CG2 3.9Å; S193-V195 PolarHBondContact O-N 3.28Å; V195-L198 HydrophobicContact CG1-CD2 4.13Å; V195-S210 CarbonylContact C-O 3.49Å; V195-S210 WeakPolarHBondContact CA-O 3.34Å; V195-S210 WeakPolarHBondContact CG1-O 3.26Å |
| 196 | T | 81.8 | Confident | 80.4 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -37.9 | -171 | 48.2 | 0 | 0 | 0 | 0 | 112.7 | S210 R212 V236 E237 | T196-S210 PolarHBondContact N-O 3.27Å; T196-S210 PolarHBondContact OG1-O 3.23Å; T196-S210 PolarHBondContact OG1-OG 3.3Å; T196-R212 HydrophobicContact CG2-CG 3.7Å; T196-V236 PolarHBondContact OG1-O 2.92Å; T196-E237 WeakPolarHBondContact CB-O 3.05Å |
| 197 | S | 82.6 | Confident | 80.9 | Confident | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.1 | -179.1 | 79.8 | 0 | 0 | 0 | 0 | 113 | S210 V239 | S197-S210 PolarHBondContact N-OG 3.48Å; S197-S210 PolarHBondContact O-N 3.27Å; S197-S210 PolarHBondContact O-OG 3.12Å; S197-S210 PolarHBondContact OG-OG 3.41Å; S197-V239 PolarHBondContact OG-N 3.42Å |
| 198 | L | 86.6 | Confident | 81 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.7 | 173.5 | -67.1 | 178.2 | 0 | 0 | 0 | 108.6 | L153 Q155 F166 V174 V195 M207 V208 | L153-L198 HydrophobicContact CD2-CB 3.7Å; L153-L198 HydrophobicContact CD2-CD1 3.6Å; L153-L198 HydrophobicContact CD2-CG 3.39Å; Q155-L198 PolarHBondContact NE2-O 2.82Å; Q155-L198 PolarHBondContact OE1-O 3.1Å; F166-L198 HydrophobicContact CB-CD1 3.84Å; V174-L198 HydrophobicContact CG1-CD1 3.95Å; V174-L198 HydrophobicContact CG1-CD2 4.34Å; V174-L198 HydrophobicContact CG2-CD2 4.17Å; V195-L198 HydrophobicContact CG1-CD2 4.13Å; L198-M207 HydrophobicContact CD2-CE 4.3Å; L198-M207 HydrophobicContact CD2-SD 4.15Å; L198-V208 WeakPolarHBondContact CA-O 3.32Å |
| 199 | S | 84.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.5 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | M207 V208 L241 | S199-M207 CarbonylContact O-C 3.51Å; S199-M207 WeakPolarHBondContact O-CA 3.42Å; S199-V208 PolarHBondContact N-O 3.3Å; S199-V208 PolarHBondContact O-N 2.95Å; S199-L241 PolarHBondContact OG-N 2.9Å |
| 200 | F | 85.1 | Confident | 81.6 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 145.5 | 177.5 | -62.8 | -78.5 | 0 | 0 | 0 | 111.6 | Q155 P158 F166 M207 L221 L241 | Q155-F200 HydrophobicContact CB-CE2 4.36Å; Q155-F200 HydrophobicContact CG-CE2 3.94Å; Q155-F200 VanDerWaalsContact OE1-CE2 3.29Å; P158-F200 HydrophobicContact CG-CB 3.66Å; P158-F200 HydrophobicContact CG-CG 4.12Å; F166-F200 HydrophobicContact CB-CZ 4.38Å; F166-F200 HydrophobicContact CD1-CZ 4.32Å; F166-F200 AromaticContact CD2-CE1 3.82Å; F166-F200 HydrophobicContact CD2-CE1 3.82Å; F166-F200 HydrophobicContact CD2-CE2 4.29Å; F166-F200 AromaticContact CD2-CZ 3.28Å; F166-F200 HydrophobicContact CD2-CZ 3.28Å; F166-F200 HydrophobicContact CE1-CE1 4.24Å; F166-F200 HydrophobicContact CE1-CZ 4.45Å; F166-F200 AromaticContact CE2-CE1 3.46Å; F166-F200 HydrophobicContact CE2-CE1 3.46Å; F166-F200 VanDerWaalsContact CE2-CE1 3.46Å; F166-F200 AromaticContact CE2-CZ 3.45Å; F166-F200 HydrophobicContact CE2-CZ 3.45Å; F166-F200 VanDerWaalsContact CE2-CZ 3.45Å; F166-F200 HydrophobicContact CG-CE1 4.34Å; F166-F200 AromaticContact CG-CZ 3.75Å; F166-F200 HydrophobicContact CG-CZ 3.75Å; F166-F200 AromaticContact CZ-CE1 3.69Å; F166-F200 HydrophobicContact CZ-CE1 3.69Å; F166-F200 HydrophobicContact CZ-CZ 4.04Å; F200-M207 HydrophobicContact CD1-CB 3.97Å; F200-M207 HydrophobicContact CD1-CG 3.95Å; F200-M207 HydrophobicContact CD1-SD 4.42Å; F200-M207 HydrophobicContact CE1-CB 3.99Å; F200-M207 HydrophobicContact CE1-CG 3.66Å; F200-M207 HydrophobicContact CE1-SD 3.55Å; F200-M207 VanDerWaalsContact CE1-SD 3.55Å; F200-M207 HydrophobicContact CZ-CG 4.27Å; F200-M207 HydrophobicContact CZ-SD 3.89Å; F200-L221 HydrophobicContact CD1-CD1 4.11Å; F200-L221 HydrophobicContact CE1-CD1 4.14Å; F200-L241 WeakPolarHBondContact O-CD1 3.5Å |
| 201 | S | 80 | Confident | 82.1 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | trans | -73.9 | 157.3 | 166.4 | 61.6 | 0 | 0 | 0 | 0 | 111 | D203 G204 T206 | S201-D203 PolarHBondContact O-N 3.11Å; S201-G204 PolarHBondContact O-N 3.09Å; S201-T206 WeakPolarHBondContact CB-OG1 3.4Å; S201-T206 PolarHBondContact N-O 3.2Å; S201-T206 PolarHBondContact OG-N 3.02Å; S201-T206 PolarHBondContact OG-O 3.11Å; S201-T206 VanDerWaalsContact OG-O 3.08Å; S201-T206 PolarHBondContact OG-OG1 3.48Å | ||
| 202 | R | 68.3 | Low | 82.2 | Confident | 184 Ų | 184 | 40.1 Ų | 40.1 | 69% | 0.694 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.9 | 175.1 | -71.1 | -167.5 | 176.6 | -172.6 | 0 | 112.9 | G204 | R202-G204 PolarHBondContact O-N 3.03Š|
| 203 | D | 69 | Low | 82.2 | Confident | 90 Ų | 90 | 31.9 Ų | 31.9 | 48% | 0.481 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.3 | 175.3 | -67.8 | -2.7 | 0 | 0 | 0 | 112.5 | S201 H205 | S201-D203 PolarHBondContact O-N 3.11Å; D203-H205 PolarHBondContact O-CD2 3.18Å; D203-H205 VanDerWaalsContact O-CD2 3.27Å; D203-H205 VanDerWaalsContact O-CG 3.27Å; D203-H205 PolarHBondContact O-N 3.25Å |
| 204 | G | 70.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 61.2 | 16.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | H157 R162 S201 R202 L221 | H157-G204 PolarHBondContact NE2-O 2.93Å; R162-G204 PolarHBondContact NH1-O 2.71Å; S201-G204 PolarHBondContact O-N 3.09Å; R202-G204 PolarHBondContact O-N 3.03Å; G204-L221 WeakPolarHBondContact O-CD1 3.36Å |
| 205 | H | 78.9 | Confident | 82.5 | Confident | 55 Ų | 55 | 34.8 Ų | 34.8 | 26% | 0.255 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -109.6 | -25.5 | -175.2 | -67.4 | -36.1 | 0 | 0 | 0 | 112.4 | R162 D203 L221 K222 | R162-H205 PolarHBondContact NH1-ND1 3.12Å; R162-H205 PolarHBondContact NH2-CE1 3.27Å; R162-H205 PolarHBondContact NH2-ND1 3.45Å; D203-H205 PolarHBondContact O-CD2 3.18Å; D203-H205 VanDerWaalsContact O-CD2 3.27Å; D203-H205 VanDerWaalsContact O-CG 3.27Å; D203-H205 PolarHBondContact O-N 3.25Å; H205-L221 PolarHBondContact O-N 2.66Å; H205-K222 PolarHBondContact CD2-NZ 2.94Å; H205-K222 WeakPolarHBondContact CE1-CE 3.44Å; H205-K222 PolarHBondContact CE1-NZ 3.32Å; H205-K222 VanDerWaalsContact CG-CE 3.49Å; H205-K222 WeakPolarHBondContact ND1-CE 3.29Å; H205-K222 WeakPolarHBondContact NE2-CE 3.19Å; H205-K222 PolarHBondContact NE2-NZ 3.37Å |
| 206 | T | 82.9 | Confident | 82.6 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.7 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 110 | S201 W219 L258 | S201-T206 WeakPolarHBondContact CB-OG1 3.4Å; S201-T206 PolarHBondContact N-O 3.2Å; S201-T206 PolarHBondContact OG-N 3.02Å; S201-T206 PolarHBondContact OG-O 3.11Å; S201-T206 VanDerWaalsContact OG-O 3.08Å; S201-T206 PolarHBondContact OG-OG1 3.48Å; T206-W219 VanDerWaalsContact CA-O 3.29Å; T206-W219 WeakPolarHBondContact CA-O 3.48Å; T206-L258 HydrophobicContact CG2-CD1 4.32Å |
| 207 | M | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141 | 176.3 | 177.4 | -173.2 | 78 | 0 | 0 | 108.1 | F166 V174 L188 L198 S199 F200 V218 W219 L221 | F166-M207 HydrophobicContact CD1-CE 4.48Å; F166-M207 HydrophobicContact CD1-SD 3.76Å; F166-M207 HydrophobicContact CE1-CE 4.37Å; F166-M207 HydrophobicContact CE1-SD 3.69Å; F166-M207 HydrophobicContact CG-SD 4.44Å; F166-M207 HydrophobicContact CZ-SD 4.33Å; V174-M207 HydrophobicContact CG1-CE 4.36Å; L188-M207 HydrophobicContact CD1-CE 3.79Å; L198-M207 HydrophobicContact CD2-CE 4.3Å; L198-M207 HydrophobicContact CD2-SD 4.15Å; S199-M207 CarbonylContact O-C 3.51Å; S199-M207 WeakPolarHBondContact O-CA 3.42Å; F200-M207 HydrophobicContact CD1-CB 3.97Å; F200-M207 HydrophobicContact CD1-CG 3.95Å; F200-M207 HydrophobicContact CD1-SD 4.42Å; F200-M207 HydrophobicContact CE1-CB 3.99Å; F200-M207 HydrophobicContact CE1-CG 3.66Å; F200-M207 HydrophobicContact CE1-SD 3.55Å; F200-M207 VanDerWaalsContact CE1-SD 3.55Å; F200-M207 HydrophobicContact CZ-CG 4.27Å; F200-M207 HydrophobicContact CZ-SD 3.89Å; M207-V218 CarbonylContact O-C 3.59Å; M207-W219 HydrophobicContact CB-CB 4.22Å; M207-W219 HydrophobicContact CE-CB 4Å; M207-W219 HydrophobicContact CE-CD2 4.4Å; M207-W219 HydrophobicContact CE-CG 3.65Å; M207-W219 PolarHBondContact N-O 2.91Å; M207-W219 PolarHBondContact O-N 2.95Å; M207-L221 HydrophobicContact CB-CD1 4.37Å; M207-L221 HydrophobicContact CB-CD2 4.24Å; M207-L221 HydrophobicContact CB-CG 4.29Å; M207-L221 HydrophobicContact SD-CD2 4.46Å |
| 208 | V | 86.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.9 | 171.1 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | L198 S199 T217 V218 V239 L241 | L198-V208 WeakPolarHBondContact CA-O 3.32Å; S199-V208 PolarHBondContact N-O 3.3Å; S199-V208 PolarHBondContact O-N 2.95Å; V208-T217 CarbonylContact C-O 3.57Å; V208-T217 WeakPolarHBondContact CA-O 3.24Å; V208-V218 HydrophobicContact CG2-CG1 4.47Å; V208-V218 HydrophobicContact CG2-CG2 4.17Å; V208-V239 HydrophobicContact CB-CG1 4.19Å; V208-V239 HydrophobicContact CG1-CG1 3.77Å; V208-L241 HydrophobicContact CG2-CD1 4.22Å; V208-L241 HydrophobicContact CG2-CD2 3.95Å; V208-L241 HydrophobicContact CG2-CG 4.26Å |
| 209 | S | 87.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 143.9 | 171.6 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | H191 C216 T217 W219 | H191-S209 PolarHBondContact NE2-OG 2.7Å; S209-C216 CarbonylContact O-C 3.59Å; S209-C216 VanDerWaalsContact O-CA 3.29Å; S209-C216 WeakPolarHBondContact O-CA 3.42Å; S209-T217 PolarHBondContact N-O 3.38Å; S209-T217 PolarHBondContact O-N 2.82Å; S209-T217 PolarHBondContact OG-OG1 3.38Å; S209-W219 PolarHBondContact OG-NE1 3.45Å |
| 210 | S | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.5 | 175.2 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | V195 T196 S197 V239 | V195-S210 CarbonylContact C-O 3.49Å; V195-S210 WeakPolarHBondContact CA-O 3.34Å; V195-S210 WeakPolarHBondContact CG1-O 3.26Å; T196-S210 PolarHBondContact N-O 3.27Å; T196-S210 PolarHBondContact OG1-O 3.23Å; T196-S210 PolarHBondContact OG1-OG 3.3Å; S197-S210 PolarHBondContact N-OG 3.48Å; S197-S210 PolarHBondContact O-N 3.27Å; S197-S210 PolarHBondContact O-OG 3.12Å; S197-S210 PolarHBondContact OG-OG 3.41Å; S210-V239 VanDerWaalsContact CB-CG2 3.46Å |
| 211 | G | 84.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 161.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A194 D213 I215 | A194-G211 WeakPolarHBondContact O-CA 3.36Å; G211-D213 VanDerWaalsContact CA-OD1 3.27Å; G211-D213 WeakPolarHBondContact CA-OD1 3.28Å; G211-D213 PolarHBondContact O-N 3.24Å; G211-I215 PolarHBondContact N-O 3.4Å; G211-I215 VanDerWaalsContact N-O 3.16Å |
| 212 | R | 84.4 | Confident | 82.7 | Confident | 129 Ų | 129 | 40 Ų | 40 | 49% | 0.487 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -9.9 | 167.2 | -71.2 | -171.1 | 174.4 | 167.9 | 3.6 | 113.3 | A194 T196 K214 E237 | A194-R212 PolarHBondContact O-N 3.2Å; A194-R212 VanDerWaalsContact O-N 3.12Å; T196-R212 HydrophobicContact CG2-CG 3.7Å; R212-K214 PolarHBondContact O-N 3.45Å; R212-E237 IonicContact CZ-OE1 3.23Å; R212-E237 IonicContact NE-OE1 2.99Å; R212-E237 PolarHBondContact NE-OE1 2.98Å; R212-E237 IonicContact NE-OE2 3.19Å; R212-E237 IonicContact NH2-OE1 2.82Å; R212-E237 PolarHBondContact NH2-OE1 3.47Å; R212-E237 IonicContact NH2-OE2 2.77Å; R212-E237 PolarHBondContact NH2-OE2 3.2Å |
| 213 | D | 85 | Confident | 83 | Confident | 29 Ų | 29 | 34 Ų | 34 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 10 | 174.1 | 56.9 | 1.2 | 0 | 0 | 0 | 113.9 | H191 Y192 G211 I215 | H191-D213 WeakPolarHBondContact CA-OD2 3.46Å; H191-D213 WeakPolarHBondContact CB-OD2 3.33Å; H191-D213 IonicContact CG-OD2 2.83Å; H191-D213 IonicContact ND1-OD1 3.98Å; H191-D213 PolarHBondContact ND1-OD1 3.45Å; H191-D213 IonicContact ND1-OD2 3.35Å; H191-D213 PolarHBondContact ND1-OD2 2.89Å; Y192-D213 PolarHBondContact N-OD2 2.98Å; G211-D213 VanDerWaalsContact CA-OD1 3.27Å; G211-D213 WeakPolarHBondContact CA-OD1 3.28Å; G211-D213 PolarHBondContact O-N 3.24Å; D213-I215 PolarHBondContact O-N 2.94Å; D213-I215 PolarHBondContact OD1-N 3.44Å |
| 214 | K | 86.4 | Confident | 83.2 | Confident | 83 Ų | 83 | 36.4 Ų | 36.4 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 67.1 | 21 | 179.1 | -49.3 | -177.3 | 179.8 | -173.9 | 0 | 113.4 | R212 V232 Y233 E234 E298 | R212-K214 PolarHBondContact O-N 3.45Å; K214-V232 PolarHBondContact O-N 3.46Å; K214-Y233 PolarHBondContact O-N 3.41Å; K214-E234 VanDerWaalsContact CA-O 3.29Å; K214-E234 WeakPolarHBondContact CA-O 3.36Å; K214-E298 IonicContact NZ-OE2 3.04Å |
| 215 | I | 88.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.1 | -176.3 | -57.8 | 163.1 | 0 | 0 | 0 | 110.3 | G211 D213 T217 V230 | G211-I215 PolarHBondContact N-O 3.4Å; G211-I215 VanDerWaalsContact N-O 3.16Å; D213-I215 PolarHBondContact O-N 2.94Å; D213-I215 PolarHBondContact OD1-N 3.44Å; I215-T217 HydrophobicContact CG2-CG2 3.83Å; I215-V230 WeakPolarHBondContact CA-O 3.02Å |
| 216 | C | 86.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133 | 165.6 | -69 | 0 | 0 | 0 | 0 | 109.7 | S209 V230 V232 F260 | S209-C216 CarbonylContact O-C 3.59Å; S209-C216 VanDerWaalsContact O-CA 3.29Å; S209-C216 WeakPolarHBondContact O-CA 3.42Å; C216-V230 PolarHBondContact N-O 3.26Å; C216-V230 PolarHBondContact O-N 3.01Å; C216-V232 HydrophobicContact CB-CG2 4.22Å; C216-F260 HydrophobicContact CB-CE2 4.08Å; C216-F260 HydrophobicContact CB-CZ 4.35Å |
| 217 | T | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.3 | -179.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | S190 H191 V208 S209 I215 W219 R228 T229 | S190-T217 WeakPolarHBondContact OG-CG2 3.47Å; S190-T217 PolarHBondContact OG-OG1 3.18Å; H191-T217 PolarHBondContact NE2-OG1 3.27Å; H191-T217 VanDerWaalsContact NE2-OG1 3.12Å; V208-T217 CarbonylContact C-O 3.57Å; V208-T217 WeakPolarHBondContact CA-O 3.24Å; S209-T217 PolarHBondContact N-O 3.38Å; S209-T217 PolarHBondContact O-N 2.82Å; S209-T217 PolarHBondContact OG-OG1 3.38Å; I215-T217 HydrophobicContact CG2-CG2 3.83Å; T217-W219 PolarHBondContact OG1-NE1 3.3Å; T217-R228 WeakPolarHBondContact CA-O 3.23Å; T217-T229 HydrophobicContact CG2-CG2 3.62Å |
| 218 | V | 87.1 | Confident | 83.2 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.7 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | M207 V208 A226 K227 R228 A274 | M207-V218 CarbonylContact O-C 3.59Å; V208-V218 HydrophobicContact CG2-CG1 4.47Å; V208-V218 HydrophobicContact CG2-CG2 4.17Å; V218-A226 CarbonylContact O-C 3.45Å; V218-K227 WeakPolarHBondContact O-CA 3.5Å; V218-K227 WeakPolarHBondContact O-CB 3.32Å; V218-K227 PolarHBondContact O-N 3.47Å; V218-R228 PolarHBondContact N-O 3.49Å; V218-R228 PolarHBondContact O-N 3.45Å; V218-A274 HydrophobicContact CG2-CB 4.36Å |
| 219 | W | 86.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 57 Ų | 57 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.9 | -179.1 | -59.4 | 92.3 | 0 | 0 | 0 | 111.3 | L188 S190 T206 M207 S209 T217 A226 | L188-W219 HydrophobicContact CB-CE3 4.33Å; L188-W219 HydrophobicContact CB-CH2 3.64Å; L188-W219 HydrophobicContact CB-CZ2 3.89Å; L188-W219 HydrophobicContact CB-CZ3 3.87Å; L188-W219 HydrophobicContact CD1-CD2 4.05Å; L188-W219 HydrophobicContact CD1-CE3 4.06Å; L188-W219 HydrophobicContact CD1-CG 4.47Å; L188-W219 HydrophobicContact CD1-CZ3 4.43Å; L188-W219 HydrophobicContact CD2-CE3 3.86Å; L188-W219 HydrophobicContact CD2-CH2 4.38Å; L188-W219 HydrophobicContact CD2-CZ3 3.72Å; L188-W219 HydrophobicContact CG-CE3 4.31Å; L188-W219 HydrophobicContact CG-CH2 4.46Å; L188-W219 HydrophobicContact CG-CZ3 4.21Å; S190-W219 WeakPolarHBondContact OG-CZ2 3.43Å; T206-W219 VanDerWaalsContact CA-O 3.29Å; T206-W219 WeakPolarHBondContact CA-O 3.48Å; M207-W219 HydrophobicContact CB-CB 4.22Å; M207-W219 HydrophobicContact CE-CB 4Å; M207-W219 HydrophobicContact CE-CD2 4.4Å; M207-W219 HydrophobicContact CE-CG 3.65Å; M207-W219 PolarHBondContact N-O 2.91Å; M207-W219 PolarHBondContact O-N 2.95Å; S209-W219 PolarHBondContact OG-NE1 3.45Å; T217-W219 PolarHBondContact OG1-NE1 3.3Å; W219-A226 HydrophobicContact CD2-CB 4.38Å; W219-A226 HydrophobicContact CE3-CB 3.83Å; W219-A226 VanDerWaalsContact CE3-N 3.32Å; W219-A226 HydrophobicContact CH2-CB 4.01Å; W219-A226 HydrophobicContact CZ3-CB 3.6Å |
| 220 | D | 84.3 | Confident | 82.9 | Confident | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.6 | 162.8 | -170.1 | -17.8 | 0 | 0 | 0 | 109.5 | K222 S223 R224 Q225 K227 | D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact OD1-N 3.26Å; D220-S223 WeakPolarHBondContact CB-OG 3.38Å; D220-R224 VanDerWaalsContact O-CA 3.32Å; D220-R224 WeakPolarHBondContact O-CA 3.4Å; D220-R224 PolarHBondContact O-N 3.47Å; D220-Q225 PolarHBondContact N-O 2.86Å; D220-Q225 PolarHBondContact O-N 3.46Å; D220-K227 HydrophobicContact CB-CD 3.82Å; D220-K227 VanDerWaalsContact CB-CE 3.48Å; D220-K227 HydrophobicContact CB-CG 3.89Å; D220-K227 VanDerWaalsContact CG-NZ 3.29Å; D220-K227 WeakPolarHBondContact OD2-CE 3.19Å; D220-K227 IonicContact OD2-NZ 2.7Å; D220-K227 PolarHBondContact OD2-NZ 2.92Å |
| 221 | L | 77.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -21.9 | -176.7 | -65.5 | 177.4 | 0 | 0 | 0 | 112.5 | F166 F200 G204 H205 M207 | F166-L221 HydrophobicContact CE1-CD2 3.75Å; F166-L221 HydrophobicContact CZ-CD1 4.15Å; F166-L221 HydrophobicContact CZ-CD2 3.62Å; F200-L221 HydrophobicContact CD1-CD1 4.11Å; F200-L221 HydrophobicContact CE1-CD1 4.14Å; G204-L221 WeakPolarHBondContact O-CD1 3.36Å; H205-L221 PolarHBondContact O-N 2.66Å; M207-L221 HydrophobicContact CB-CD1 4.37Å; M207-L221 HydrophobicContact CB-CD2 4.24Å; M207-L221 HydrophobicContact CB-CG 4.29Å; M207-L221 HydrophobicContact SD-CD2 4.46Å |
| 222 | K | 78.1 | Confident | 82.3 | Confident | 140 Ų | 140 | 59.8 Ų | 59.8 | 61% | 0.609 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -47.1 | 175.9 | -69.1 | -174.4 | -176.3 | 174 | 0 | 111.4 | H205 D220 | H205-K222 PolarHBondContact CD2-NZ 2.94Å; H205-K222 WeakPolarHBondContact CE1-CE 3.44Å; H205-K222 PolarHBondContact CE1-NZ 3.32Å; H205-K222 VanDerWaalsContact CG-CE 3.49Å; H205-K222 WeakPolarHBondContact ND1-CE 3.29Å; H205-K222 WeakPolarHBondContact NE2-CE 3.19Å; H205-K222 PolarHBondContact NE2-NZ 3.37Å; D220-K222 VanDerWaalsContact C-N 3.33Å; D220-K222 PolarHBondContact OD1-N 3.26Å |
| 223 | S | 75.8 | Confident | 82.1 | Confident | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -14.1 | -179.8 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | D220 Q225 | D220-S223 WeakPolarHBondContact CB-OG 3.38Å; S223-Q225 PolarHBondContact O-N 2.9Å |
| 224 | R | 73.4 | Confident | 82 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 34.9 | -177.7 | -63.7 | 173.8 | -82.2 | -166.3 | -5.2 | 112.3 | D220 | D220-R224 VanDerWaalsContact O-CA 3.32Å; D220-R224 WeakPolarHBondContact O-CA 3.4Å; D220-R224 PolarHBondContact O-N 3.47Å |
| 225 | Q | 78.7 | Confident | 81.8 | Confident | 133 Ų | 133 | 57.9 Ų | 57.9 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.9 | 180 | -72.1 | -177.5 | -6.7 | 0 | 0 | 111.1 | D220 S223 K227 | D220-Q225 PolarHBondContact N-O 2.86Å; D220-Q225 PolarHBondContact O-N 3.46Å; S223-Q225 PolarHBondContact O-N 2.9Å; Q225-K227 PolarHBondContact O-N 3.17Å |
| 226 | A | 78.8 | Confident | 81.5 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 116 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | V218 W219 | V218-A226 CarbonylContact O-C 3.45Å; W219-A226 HydrophobicContact CD2-CB 4.38Å; W219-A226 HydrophobicContact CE3-CB 3.83Å; W219-A226 VanDerWaalsContact CE3-N 3.32Å; W219-A226 HydrophobicContact CH2-CB 4.01Å; W219-A226 HydrophobicContact CZ3-CB 3.6Å |
| 227 | K | 80.8 | Confident | 81.1 | Confident | 116 Ų | 116 | 58.1 Ų | 58.1 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -43.4 | 171.6 | -85.8 | 178.2 | 166.7 | 153.7 | 0 | 110.8 | V218 D220 Q225 | V218-K227 WeakPolarHBondContact O-CA 3.5Å; V218-K227 WeakPolarHBondContact O-CB 3.32Å; V218-K227 PolarHBondContact O-N 3.47Å; D220-K227 HydrophobicContact CB-CD 3.82Å; D220-K227 VanDerWaalsContact CB-CE 3.48Å; D220-K227 HydrophobicContact CB-CG 3.89Å; D220-K227 VanDerWaalsContact CG-NZ 3.29Å; D220-K227 WeakPolarHBondContact OD2-CE 3.19Å; D220-K227 IonicContact OD2-NZ 2.7Å; D220-K227 PolarHBondContact OD2-NZ 2.92Å; Q225-K227 PolarHBondContact O-N 3.17Å |
| 228 | R | 80.4 | Confident | 80.7 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 148.5 | -175.1 | -156.1 | 151.7 | 177 | 85.7 | 0.5 | 113 | T217 V218 | T217-R228 WeakPolarHBondContact CA-O 3.23Å; V218-R228 PolarHBondContact N-O 3.49Å; V218-R228 PolarHBondContact O-N 3.45Å |
| 229 | T | 84.7 | Confident | 80.5 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.7 | 172.6 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | T217 | T217-T229 HydrophobicContact CG2-CG2 3.62Å |
| 230 | V | 83.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.7 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I215 C216 V232 F260 W272 A277 | I215-V230 WeakPolarHBondContact CA-O 3.02Å; C216-V230 PolarHBondContact N-O 3.26Å; C216-V230 PolarHBondContact O-N 3.01Å; V230-V232 PolarHBondContact O-N 2.96Å; V230-F260 HydrophobicContact CB-CZ 4.27Å; V230-F260 HydrophobicContact CG1-CZ 4.27Å; V230-F260 HydrophobicContact CG2-CE1 4.44Å; V230-F260 HydrophobicContact CG2-CZ 4.09Å; V230-W272 HydrophobicContact CG1-CD2 4.12Å; V230-W272 HydrophobicContact CG1-CE3 3.63Å; V230-W272 HydrophobicContact CG1-CZ3 3.88Å; V230-A277 HydrophobicContact CG1-CB 4.31Å; V230-A277 HydrophobicContact CG2-CB 3.84Å |
| 231 | P | 82.5 | Confident | 79.9 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 116.9 | 173.6 | 30.5 | -31.7 | 0 | 0 | 0 | 109.9 | Y233 | P231-Y233 HydrophobicContact CB-CD2 4.35Å; P231-Y233 HydrophobicContact CB-CE1 4.34Å; P231-Y233 HydrophobicContact CB-CE2 3.86Å; P231-Y233 HydrophobicContact CG-CE2 4Å |
| 232 | V | 77.1 | Confident | 79.4 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | trans | -92.6 | -16.9 | -179.4 | -177.1 | 0 | 0 | 0 | 0 | 111 | K214 C216 V230 E234 V236 T262 W272 | K214-V232 PolarHBondContact O-N 3.46Å; C216-V232 HydrophobicContact CB-CG2 4.22Å; V230-V232 PolarHBondContact O-N 2.96Å; V232-E234 HydrophobicContact CG1-CB 4.3Å; V232-E234 PolarHBondContact O-N 3.3Å; V232-V236 HydrophobicContact CB-CG2 3.97Å; V232-V236 HydrophobicContact CG1-CG2 3.71Å; V232-V236 HydrophobicContact CG2-CG2 4.21Å; V232-T262 HydrophobicContact CG2-CG2 4.28Å; V232-W272 HydrophobicContact CB-CZ2 4.17Å; V232-W272 HydrophobicContact CG1-CZ2 3.85Å; V232-W272 HydrophobicContact CG2-CZ2 4.11Å | ||
| 233 | Y | 80.7 | Confident | 78.7 | Confident | 176 Ų | 176 | 52 Ų | 52 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 56.3 | 24.9 | -179.4 | -57.2 | -78.8 | 0 | 0 | 0 | 113.8 | K214 P231 | K214-Y233 PolarHBondContact O-N 3.41Å; P231-Y233 HydrophobicContact CB-CD2 4.35Å; P231-Y233 HydrophobicContact CB-CE1 4.34Å; P231-Y233 HydrophobicContact CB-CE2 3.86Å; P231-Y233 HydrophobicContact CG-CE2 4Å |
| 234 | E | 82 | Confident | 77.7 | Confident | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -150.8 | 142.2 | -179.5 | -175.4 | 177 | 156.1 | 0 | 0 | 107.7 | K214 V232 V236 G264 S265 K266 R270 | K214-E234 VanDerWaalsContact CA-O 3.29Å; K214-E234 WeakPolarHBondContact CA-O 3.36Å; V232-E234 HydrophobicContact CG1-CB 4.3Å; V232-E234 PolarHBondContact O-N 3.3Å; E234-V236 WeakPolarHBondContact O-CG2 3.34Å; E234-V236 PolarHBondContact O-N 2.95Å; E234-G264 WeakPolarHBondContact OE1-CA 3.4Å; E234-S265 PolarHBondContact OE1-N 3.34Å; E234-K266 VanDerWaalsContact CD-CB 3.49Å; E234-K266 HydrophobicContact CG-CB 4.38Å; E234-K266 HydrophobicContact CG-CD 4.23Å; E234-K266 HydrophobicContact CG-CG 3.91Å; E234-K266 WeakPolarHBondContact OE1-CA 3.33Å; E234-K266 VanDerWaalsContact OE1-CB 3.29Å; E234-K266 WeakPolarHBondContact OE1-CB 3.24Å; E234-K266 PolarHBondContact OE1-N 3.18Å; E234-R270 IonicContact OE2-CZ 3.52Å; E234-R270 IonicContact OE2-NE 3.51Å; E234-R270 IonicContact OE2-NH2 2.72Å; E234-R270 PolarHBondContact OE2-NH2 3.47Å |
| 235 | A | 82.2 | Confident | 76.6 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | trans | -67.4 | 121.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G264 S265 | A235-G264 CarbonylContact O-C 3.55Å; A235-G264 WeakPolarHBondContact O-CA 3.45Å; A235-S265 PolarHBondContact O-N 3.25Å | ||
| 236 | V | 82.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124 | -176 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | T196 V232 E234 V239 T262 A263 | T196-V236 PolarHBondContact OG1-O 2.92Å; V232-V236 HydrophobicContact CB-CG2 3.97Å; V232-V236 HydrophobicContact CG1-CG2 3.71Å; V232-V236 HydrophobicContact CG2-CG2 4.21Å; E234-V236 WeakPolarHBondContact O-CG2 3.34Å; E234-V236 PolarHBondContact O-N 2.95Å; V236-V239 HydrophobicContact CG1-CG2 3.62Å; V236-T262 HydrophobicContact CG1-CG2 4.36Å; V236-A263 WeakPolarHBondContact CG1-O 3.26Å |
| 237 | E | 78 | Confident | 73.7 | Confident | 47 Ų | 47 | 58.9 Ų | 58.9 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -29.1 | 176.5 | -65.9 | -67.9 | 145.4 | 0 | 0 | 111.4 | T196 R212 A263 L305 T306 | T196-E237 WeakPolarHBondContact CB-O 3.05Å; R212-E237 IonicContact CZ-OE1 3.23Å; R212-E237 IonicContact NE-OE1 2.99Å; R212-E237 PolarHBondContact NE-OE1 2.98Å; R212-E237 IonicContact NE-OE2 3.19Å; R212-E237 IonicContact NH2-OE1 2.82Å; R212-E237 PolarHBondContact NH2-OE1 3.47Å; R212-E237 IonicContact NH2-OE2 2.77Å; R212-E237 PolarHBondContact NH2-OE2 3.2Å; E237-A263 PolarHBondContact N-O 3.45Å; E237-L305 VanDerWaalsContact CB-O 3.29Å; E237-L305 WeakPolarHBondContact CB-O 3.26Å; E237-L305 WeakPolarHBondContact CG-O 3.34Å; E237-T306 WeakPolarHBondContact CB-O 3.21Å |
| 238 | G | 79.4 | Confident | 72.3 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | A263 | G238-A263 PolarHBondContact N-O 2.63Å; G238-A263 PolarHBondContact O-N 2.68Å |
| 239 | V | 82.8 | Confident | 70.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.3 | 172.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | S197 V208 S210 V236 F260 V261 T262 | S197-V239 PolarHBondContact OG-N 3.42Å; V208-V239 HydrophobicContact CB-CG1 4.19Å; V208-V239 HydrophobicContact CG1-CG1 3.77Å; S210-V239 VanDerWaalsContact CB-CG2 3.46Å; V236-V239 HydrophobicContact CG1-CG2 3.62Å; V239-F260 HydrophobicContact CG1-CB 4.35Å; V239-F260 HydrophobicContact CG1-CD2 4.07Å; V239-V261 WeakPolarHBondContact CA-O 3.24Å; V239-T262 HydrophobicContact CG2-CG2 4.05Å |
| 240 | V | 81.4 | Confident | 69.1 | Low | 11 Ų | 11 | 55.6 Ų | 55.6 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135 | 178.4 | 151.3 | 0 | 0 | 0 | 0 | 109.9 | F260 V261 L308 H310 L317 | V240-F260 CarbonylContact O-C 3.55Å; V240-F260 VanDerWaalsContact O-CA 3.28Å; V240-F260 WeakPolarHBondContact O-CA 3.04Å; V240-V261 PolarHBondContact N-O 3.39Å; V240-V261 VanDerWaalsContact N-O 3.07Å; V240-V261 PolarHBondContact O-N 3.14Å; V240-L308 HydrophobicContact CB-CD2 3.78Å; V240-L308 HydrophobicContact CB-CG 4.03Å; V240-L308 HydrophobicContact CG2-CB 4.43Å; V240-L308 HydrophobicContact CG2-CD2 4Å; V240-L308 HydrophobicContact CG2-CG 3.74Å; V240-L308 WeakPolarHBondContact CG2-O 2.93Å; V240-H310 HydrophobicContact CB-CB 4.49Å; V240-H310 HydrophobicContact CG1-CB 3.47Å; V240-H310 VanDerWaalsContact CG1-CB 3.47Å; V240-H310 HydrophobicContact CG2-CB 4.22Å; V240-L317 HydrophobicContact CG1-CD2 4.03Å |
| 241 | L | 77.1 | Confident | 67.6 | Low | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 133.4 | 170.2 | -76.3 | 159.9 | 0 | 0 | 0 | 111.2 | S199 F200 V208 F260 | S199-L241 PolarHBondContact OG-N 2.9Å; F200-L241 WeakPolarHBondContact O-CD1 3.5Å; V208-L241 HydrophobicContact CG2-CD1 4.22Å; V208-L241 HydrophobicContact CG2-CD2 3.95Å; V208-L241 HydrophobicContact CG2-CG 4.26Å; L241-F260 HydrophobicContact CD2-CB 3.93Å; L241-F260 HydrophobicContact CG-CB 4.48Å |
| 242 | L | 68.8 | Low | 65.7 | Low | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 146.5 | 173.7 | -65.4 | 178.7 | 0 | 0 | 0 | 111 | L248 H259 V261 V271 L317 L331 | L242-L248 HydrophobicContact CD1-CD1 3.84Å; L242-H259 HydrophobicContact CD1-CB 4.25Å; L242-H259 PolarHBondContact N-O 3.42Å; L242-V261 HydrophobicContact CD1-CG2 3.86Å; L242-V261 HydrophobicContact CD2-CG2 3.95Å; L242-V261 HydrophobicContact CG-CG2 3.86Å; L242-V271 HydrophobicContact CD1-CG1 4.26Å; L242-L317 HydrophobicContact CD2-CD2 4.43Å; L242-L331 HydrophobicContact CD2-CD1 3.54Å; L242-L331 HydrophobicContact CD2-CD2 4.29Å |
| 243 | P | 61.7 | Low | 64.4 | Low | 29 Ų | 29 | 57.3 Ų | 57.3 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 135.6 | 178 | 25.1 | -31.3 | 0 | 0 | 0 | 111.2 | K245 T246 H310 | P243-K245 PolarHBondContact O-N 2.89Å; P243-T246 HydrophobicContact CG-CG2 4.43Å; P243-T246 PolarHBondContact O-N 3.29Å; P243-T246 PolarHBondContact O-OG1 2.86Å; P243-H310 VanDerWaalsContact CD-NE2 3.31Å; P243-H310 WeakPolarHBondContact CD-NE2 3.5Å |
| 244 | E | 55.6 | Low | 62.8 | Low | 123 Ų | 123 | 58.8 Ų | 58.8 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -4.9 | -176.7 | -60.3 | -175.2 | 158.7 | 0 | 0 | 115.1 | L258 | E244-L258 HydrophobicContact CG-CD2 4.08Å; E244-L258 WeakPolarHBondContact OE1-CD2 3.45Å |
| 245 | K | 49.8 | Very low | 61.1 | Low | 197 Ų | 197 | 61.9 Ų | 61.9 | 86% | 0.857 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 0.4 | -172.4 | -67.4 | -171.9 | 179.1 | -178 | 0 | 115.1 | P243 | P243-K245 PolarHBondContact O-N 2.89Š|
| 246 | T | 53.3 | Low | 59.7 | Low | 51 Ų | 51 | 71.2 Ų | 71.2 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | trans | -96.6 | 115.6 | 176.1 | 44.2 | 0 | 0 | 0 | 0 | 110.7 | P243 L248 | P243-T246 HydrophobicContact CG-CG2 4.43Å; P243-T246 PolarHBondContact O-N 3.29Å; P243-T246 PolarHBondContact O-OG1 2.86Å; T246-L248 PolarHBondContact O-N 3.43Å; T246-L248 VanDerWaalsContact O-N 3.13Å | ||
| 247 | D | 43.1 | Very low | 58.5 | Low | 151 Ų | 151 | 72.2 Ų | 72.2 | 81% | 0.807 | 38% | 0.38 | S | S | * | . | trans | -70.7 | 101.7 | 172.4 | -73 | -35.5 | 0 | 0 | 0 | 110 | S249 | D247-S249 PolarHBondContact O-N 3.47Å; D247-S249 VanDerWaalsContact O-N 3.14Å | ||
| 248 | L | 52 | Low | 58 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | trans | -86.6 | 49.3 | -179.7 | -60 | 167.9 | 0 | 0 | 0 | 112 | L242 T246 Q250 I251 V253 P332 | L242-L248 HydrophobicContact CD1-CD1 3.84Å; T246-L248 PolarHBondContact O-N 3.43Å; T246-L248 VanDerWaalsContact O-N 3.13Å; L248-Q250 VanDerWaalsContact C-N 3.25Å; L248-Q250 PolarHBondContact O-N 3.42Å; L248-I251 HydrophobicContact CB-CB 4.2Å; L248-I251 HydrophobicContact CB-CD1 4.09Å; L248-I251 HydrophobicContact CB-CG1 4.22Å; L248-I251 HydrophobicContact CD1-CD1 4.38Å; L248-I251 HydrophobicContact CD2-CD1 3.77Å; L248-I251 HydrophobicContact CG-CD1 4.28Å; L248-I251 PolarHBondContact O-N 3.39Å; L248-V253 HydrophobicContact CB-CB 4.11Å; L248-V253 HydrophobicContact CB-CG2 4.06Å; L248-V253 HydrophobicContact CD1-CG2 4.3Å; L248-P332 HydrophobicContact CD2-CB 3.88Å | ||
| 249 | S | 48.5 | Very low | 57.8 | Low | 101 Ų | 101 | 72.3 Ų | 72.3 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -63.2 | -25.7 | -173.5 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | D247 I251 | D247-S249 PolarHBondContact O-N 3.47Å; D247-S249 VanDerWaalsContact O-N 3.14Å; S249-I251 VanDerWaalsContact C-N 3.34Å |
| 250 | Q | 50.3 | Low | 57.6 | Low | 149 Ų | 149 | 72 Ų | 72 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -78.3 | -13.6 | 174.2 | -69.7 | -176.9 | -14.1 | 0 | 0 | 114.1 | L248 | L248-Q250 VanDerWaalsContact C-N 3.25Å; L248-Q250 PolarHBondContact O-N 3.42Å |
| 251 | I | 49.9 | Very low | 57.6 | Low | 11 Ų | 11 | 71.4 Ų | 71.4 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -96.9 | -0.8 | 179.6 | -50.3 | -174.3 | 0 | 0 | 0 | 110.9 | L248 S249 V253 V280 Y281 P332 | L248-I251 HydrophobicContact CB-CB 4.2Å; L248-I251 HydrophobicContact CB-CD1 4.09Å; L248-I251 HydrophobicContact CB-CG1 4.22Å; L248-I251 HydrophobicContact CD1-CD1 4.38Å; L248-I251 HydrophobicContact CD2-CD1 3.77Å; L248-I251 HydrophobicContact CG-CD1 4.28Å; L248-I251 PolarHBondContact O-N 3.39Å; S249-I251 VanDerWaalsContact C-N 3.34Å; I251-V253 VanDerWaalsContact C-N 3.34Å; I251-V253 HydrophobicContact CB-CG2 4.42Å; I251-V253 HydrophobicContact CG2-CG2 4.44Å; I251-V280 HydrophobicContact CG2-CG1 4.37Å; I251-V280 WeakPolarHBondContact O-CG1 3.39Å; I251-Y281 HydrophobicContact CG2-CD2 4.14Å; I251-Y281 HydrophobicContact CG2-CG 3.81Å; I251-P332 HydrophobicContact CD1-CB 4.27Å; I251-P332 WeakPolarHBondContact CD1-O 3.4Å; I251-P332 HydrophobicContact CG1-CB 4.33Å; I251-P332 WeakPolarHBondContact CG1-O 3.4Å |
| 252 | G | 43.2 | Very low | 57.9 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 14.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K254 | G252-K254 PolarHBondContact O-N 3.5Š|
| 253 | V | 49.4 | Very low | 58.5 | Low | 26 Ų | 26 | 70.2 Ų | 70.2 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | trans | -78.3 | 113.9 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L248 I251 H259 V280 | L248-V253 HydrophobicContact CB-CB 4.11Å; L248-V253 HydrophobicContact CB-CG2 4.06Å; L248-V253 HydrophobicContact CD1-CG2 4.3Å; I251-V253 VanDerWaalsContact C-N 3.34Å; I251-V253 HydrophobicContact CB-CG2 4.42Å; I251-V253 HydrophobicContact CG2-CG2 4.44Å; V253-H259 WeakPolarHBondContact CG1-NE2 3.37Å; V253-V280 HydrophobicContact CG2-CG1 3.73Å | ||
| 254 | K | 47.2 | Very low | 59.4 | Low | 207 Ų | 207 | 68.9 Ų | 68.9 | 90% | 0.9 | 36% | 0.361 | S | S | * | . | trans | -108 | 13.6 | 175.4 | -71 | -174.3 | 178.4 | 179.2 | 0 | 113.9 | G252 | G252-K254 PolarHBondContact O-N 3.5Š| ||
| 255 | S | 46.9 | Very low | 60.5 | Low | 69 Ų | 69 | 64.7 Ų | 64.7 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -137.6 | 138.4 | -175.4 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | S257 H259 | S255-S257 PolarHBondContact O-N 2.85Å; S255-S257 PolarHBondContact O-OG 3.44Å; S255-H259 PolarHBondContact O-NE2 2.88Å |
| 256 | K | 53 | Low | 61.7 | Low | 217 Ų | 217 | 60.2 Ų | 60.2 | 94% | 0.943 | 33% | 0.326 | S | S | * | . | trans | -71.3 | 36.5 | 174.1 | -65.5 | -178.1 | 176.4 | -179.2 | 0 | 112.6 | ||||
| 257 | S | 58 | Low | 62.6 | Low | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -91.5 | 152.9 | 179.2 | 40.6 | 0 | 0 | 0 | 0 | 110 | S255 H259 E273 S275 | S255-S257 PolarHBondContact O-N 2.85Å; S255-S257 PolarHBondContact O-OG 3.44Å; S257-H259 PolarHBondContact O-CD2 2.9Å; S257-H259 PolarHBondContact O-N 3.35Å; S257-H259 PolarHBondContact O-NE2 3.41Å; S257-H259 VanDerWaalsContact O-NE2 3.12Å; S257-H259 PolarHBondContact OG-NE2 2.87Å; S257-E273 WeakPolarHBondContact CB-OE1 3.43Å; S257-E273 VanDerWaalsContact OG-CD 3.28Å; S257-E273 WeakPolarHBondContact OG-CG 3.42Å; S257-E273 PolarHBondContact OG-OE1 3.19Å; S257-S275 VanDerWaalsContact CB-OG 3.3Å; S257-S275 WeakPolarHBondContact CB-OG 3.33Å |
| 258 | L | 66.6 | Low | 64.2 | Low | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.199 | 28% | 0.282 | C | S | . | . | trans | -59.8 | 119.8 | 174.8 | -73.6 | 163.8 | 0 | 0 | 0 | 109.7 | T206 E244 A274 | T206-L258 HydrophobicContact CG2-CD1 4.32Å; E244-L258 HydrophobicContact CG-CD2 4.08Å; E244-L258 WeakPolarHBondContact OE1-CD2 3.45Å; L258-A274 HydrophobicContact CB-CB 3.9Å; L258-A274 WeakPolarHBondContact O-CB 3.36Å; L258-A274 PolarHBondContact O-N 3.42Å | ||
| 259 | H | 74.8 | Confident | 65.5 | Low | 15 Ų | 15 | 51.6 Ų | 51.6 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.2 | 172.7 | -62.7 | -68.4 | 0 | 0 | 0 | 110 | L242 V253 S255 S257 V271 W272 | L242-H259 HydrophobicContact CD1-CB 4.25Å; L242-H259 PolarHBondContact N-O 3.42Å; V253-H259 WeakPolarHBondContact CG1-NE2 3.37Å; S255-H259 PolarHBondContact O-NE2 2.88Å; S257-H259 PolarHBondContact O-CD2 2.9Å; S257-H259 PolarHBondContact O-N 3.35Å; S257-H259 PolarHBondContact O-NE2 3.41Å; S257-H259 VanDerWaalsContact O-NE2 3.12Å; S257-H259 PolarHBondContact OG-NE2 2.87Å; H259-V271 HydrophobicContact CB-CG1 4.2Å; H259-W272 CarbonylContact C-O 3.56Å; H259-W272 VanDerWaalsContact CA-O 3.26Å; H259-W272 WeakPolarHBondContact CA-O 3.35Å |
| 260 | F | 78.3 | Confident | 66.9 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.5 | 173.4 | 66.1 | -86.7 | 0 | 0 | 0 | 110.7 | C216 V230 V239 V240 L241 T262 W272 A274 | C216-F260 HydrophobicContact CB-CE2 4.08Å; C216-F260 HydrophobicContact CB-CZ 4.35Å; V230-F260 HydrophobicContact CB-CZ 4.27Å; V230-F260 HydrophobicContact CG1-CZ 4.27Å; V230-F260 HydrophobicContact CG2-CE1 4.44Å; V230-F260 HydrophobicContact CG2-CZ 4.09Å; V239-F260 HydrophobicContact CG1-CB 4.35Å; V239-F260 HydrophobicContact CG1-CD2 4.07Å; V240-F260 CarbonylContact O-C 3.55Å; V240-F260 VanDerWaalsContact O-CA 3.28Å; V240-F260 WeakPolarHBondContact O-CA 3.04Å; L241-F260 HydrophobicContact CD2-CB 3.93Å; L241-F260 HydrophobicContact CG-CB 4.48Å; F260-T262 HydrophobicContact CD2-CG2 3.79Å; F260-T262 HydrophobicContact CE2-CG2 3.59Å; F260-W272 HydrophobicContact CD1-CB 4Å; F260-W272 HydrophobicContact CD2-CB 4.05Å; F260-W272 HydrophobicContact CD2-CG 4.45Å; F260-W272 HydrophobicContact CE1-CB 3.56Å; F260-W272 HydrophobicContact CE2-CB 3.62Å; F260-W272 AromaticContact CE2-CD1 3.79Å; F260-W272 AromaticContact CE2-CG 3.8Å; F260-W272 HydrophobicContact CE2-CG 3.8Å; F260-W272 HydrophobicContact CG-CB 4.24Å; F260-W272 HydrophobicContact CZ-CB 3.36Å; F260-W272 AromaticContact CZ-CG 3.84Å; F260-W272 HydrophobicContact CZ-CG 3.84Å; F260-W272 PolarHBondContact N-O 2.66Å; F260-W272 PolarHBondContact O-N 3.49Å; F260-A274 HydrophobicContact CD1-CB 4.17Å; F260-A274 HydrophobicContact CE1-CB 4.26Å |
| 261 | V | 82.7 | Confident | 68.4 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.6 | 176 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | V239 V240 L242 L269 R270 V271 L308 L317 | V239-V261 WeakPolarHBondContact CA-O 3.24Å; V240-V261 PolarHBondContact N-O 3.39Å; V240-V261 VanDerWaalsContact N-O 3.07Å; V240-V261 PolarHBondContact O-N 3.14Å; L242-V261 HydrophobicContact CD1-CG2 3.86Å; L242-V261 HydrophobicContact CD2-CG2 3.95Å; L242-V261 HydrophobicContact CG-CG2 3.86Å; V261-L269 HydrophobicContact CG1-CB 4.24Å; V261-L269 HydrophobicContact CG1-CD2 4Å; V261-R270 CarbonylContact C-O 3.59Å; V261-R270 VanDerWaalsContact CA-O 3.29Å; V261-R270 WeakPolarHBondContact CA-O 3.48Å; V261-V271 HydrophobicContact CG2-CG2 4.17Å; V261-L308 HydrophobicContact CB-CD2 4.1Å; V261-L308 HydrophobicContact CG1-CD2 3.98Å; V261-L308 WeakPolarHBondContact O-CD2 3.24Å; V261-L317 HydrophobicContact CG1-CD1 4.2Å; V261-L317 HydrophobicContact CG2-CD1 4.11Å |
| 262 | T | 82.5 | Confident | 69.9 | Low | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136 | 172.8 | 58 | 0 | 0 | 0 | 0 | 109.7 | V232 V236 V239 F260 R270 W272 | V232-T262 HydrophobicContact CG2-CG2 4.28Å; V236-T262 HydrophobicContact CG1-CG2 4.36Å; V239-T262 HydrophobicContact CG2-CG2 4.05Å; F260-T262 HydrophobicContact CD2-CG2 3.79Å; F260-T262 HydrophobicContact CE2-CG2 3.59Å; T262-R270 PolarHBondContact N-O 2.99Å; T262-R270 PolarHBondContact O-N 3.34Å; T262-R270 VanDerWaalsContact O-N 3.16Å; T262-R270 PolarHBondContact OG1-O 2.91Å; T262-W272 VanDerWaalsContact CG2-CD1 3.49Å; T262-W272 PolarHBondContact OG1-NE1 3.31Å |
| 263 | A | 81.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | V236 E237 G238 L269 L305 L308 | V236-A263 WeakPolarHBondContact CG1-O 3.26Å; E237-A263 PolarHBondContact N-O 3.45Å; G238-A263 PolarHBondContact N-O 2.63Å; G238-A263 PolarHBondContact O-N 2.68Å; A263-L269 HydrophobicContact CB-CD2 3.84Å; A263-L305 HydrophobicContact CB-CB 3.85Å; A263-L305 HydrophobicContact CB-CD1 3.67Å; A263-L305 HydrophobicContact CB-CG 4.41Å; A263-L308 HydrophobicContact CB-CB 3.83Å; A263-L308 HydrophobicContact CB-CD1 4.47Å; A263-L308 HydrophobicContact CB-CD2 4.04Å; A263-L308 HydrophobicContact CB-CG 4.33Å |
| 264 | G | 80.9 | Confident | 72.8 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -173.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E234 A235 K266 G267 L305 | E234-G264 WeakPolarHBondContact OE1-CA 3.4Å; A235-G264 CarbonylContact O-C 3.55Å; A235-G264 WeakPolarHBondContact O-CA 3.45Å; G264-K266 VanDerWaalsContact C-N 3.26Å; G264-K266 PolarHBondContact O-N 3.19Å; G264-G267 PolarHBondContact O-N 2.84Å; G264-L305 PolarHBondContact O-N 2.69Å; G264-L305 VanDerWaalsContact O-N 3.15Å |
| 265 | S | 78.6 | Confident | 74.1 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.2 | -173.7 | 61.4 | 0 | 0 | 0 | 0 | 115.3 | E234 A235 G267 S304 | E234-S265 PolarHBondContact OE1-N 3.34Å; A235-S265 PolarHBondContact O-N 3.25Å; S265-G267 VanDerWaalsContact C-N 3.29Å; S265-S304 WeakPolarHBondContact O-CA 3.41Å; S265-S304 WeakPolarHBondContact O-CB 3.24Å |
| 266 | K | 74.2 | Confident | 75 | Confident | 103 Ų | 103 | 33 Ų | 33 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.8 | 177.3 | -62.7 | -177.7 | 176.5 | -176.6 | 0 | 113 | E234 G264 | E234-K266 VanDerWaalsContact CD-CB 3.49Å; E234-K266 HydrophobicContact CG-CB 4.38Å; E234-K266 HydrophobicContact CG-CD 4.23Å; E234-K266 HydrophobicContact CG-CG 3.91Å; E234-K266 WeakPolarHBondContact OE1-CA 3.33Å; E234-K266 VanDerWaalsContact OE1-CB 3.29Å; E234-K266 WeakPolarHBondContact OE1-CB 3.24Å; E234-K266 PolarHBondContact OE1-N 3.18Å; G264-K266 VanDerWaalsContact C-N 3.26Å; G264-K266 PolarHBondContact O-N 3.19Å |
| 267 | G | 71.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 77.6 | 20.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G264 S265 R303 | G264-G267 PolarHBondContact O-N 2.84Å; S265-G267 VanDerWaalsContact C-N 3.29Å; G267-R303 WeakPolarHBondContact CA-O 3.29Å |
| 268 | V | 78.2 | Confident | 76.3 | Confident | 25 Ų | 25 | 31.5 Ų | 31.5 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | trans | -121.7 | 131.9 | -177.3 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | T282 Q283 | V268-T282 HydrophobicContact CG1-CG2 3.65Å; V268-Q283 HydrophobicContact CG1-CB 3.9Å; V268-Q283 WeakPolarHBondContact CG1-O 3.46Å | ||
| 269 | L | 77.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -77.3 | 128 | 170.8 | -67.2 | 179.3 | 0 | 0 | 0 | 110.4 | V261 A263 Q283 L305 L308 L317 T319 Y329 L334 | V261-L269 HydrophobicContact CG1-CB 4.24Å; V261-L269 HydrophobicContact CG1-CD2 4Å; A263-L269 HydrophobicContact CB-CD2 3.84Å; L269-Q283 PolarHBondContact O-N 3Å; L269-Q283 VanDerWaalsContact O-N 3.15Å; L269-L305 HydrophobicContact CD2-CD1 3.8Å; L269-L305 HydrophobicContact CG-CD1 4.31Å; L269-L308 HydrophobicContact CD2-CD1 3.88Å; L269-L317 HydrophobicContact CD1-CD1 4.37Å; L269-T319 HydrophobicContact CD1-CG2 3.87Å; L269-T319 HydrophobicContact CD2-CG2 3.73Å; L269-T319 HydrophobicContact CG-CG2 4.15Å; L269-Y329 HydrophobicContact CD1-CD1 4.46Å; L269-Y329 HydrophobicContact CD1-CD2 3.5Å; L269-Y329 HydrophobicContact CD1-CE1 4.49Å; L269-Y329 HydrophobicContact CD1-CE2 3.55Å; L269-Y329 HydrophobicContact CD1-CG 3.97Å; L269-Y329 HydrophobicContact CG-CE2 4.43Å; L269-L334 HydrophobicContact CD1-CD2 4.47Å | ||
| 270 | R | 79.4 | Confident | 75.6 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 19% | 0.185 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.5 | 174.5 | -55.6 | -173.9 | -163.1 | -158.6 | 11.2 | 110.8 | E234 V261 T262 Y281 T282 | E234-R270 IonicContact OE2-CZ 3.52Å; E234-R270 IonicContact OE2-NE 3.51Å; E234-R270 IonicContact OE2-NH2 2.72Å; E234-R270 PolarHBondContact OE2-NH2 3.47Å; V261-R270 CarbonylContact C-O 3.59Å; V261-R270 VanDerWaalsContact CA-O 3.29Å; V261-R270 WeakPolarHBondContact CA-O 3.48Å; T262-R270 PolarHBondContact N-O 2.99Å; T262-R270 PolarHBondContact O-N 3.34Å; T262-R270 VanDerWaalsContact O-N 3.16Å; T262-R270 PolarHBondContact OG1-O 2.91Å; R270-Y281 CarbonylContact C-O 3.6Å; R270-Y281 VanDerWaalsContact CA-O 3.29Å; R270-Y281 WeakPolarHBondContact CA-O 3.3Å; R270-T282 HydrophobicContact CG-CG2 4.31Å |
| 271 | V | 81.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.2 | 176 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | L242 H259 V261 V280 Y281 L334 | L242-V271 HydrophobicContact CD1-CG1 4.26Å; H259-V271 HydrophobicContact CB-CG1 4.2Å; V261-V271 HydrophobicContact CG2-CG2 4.17Å; V271-V280 PolarHBondContact O-N 3.17Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 PolarHBondContact N-O 3.05Å; V271-Y281 PolarHBondContact O-N 2.87Å; V271-L334 HydrophobicContact CG2-CD1 4.02Å |
| 272 | W | 81.4 | Confident | 73.8 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.1 | -178.7 | -63.4 | 89.5 | 0 | 0 | 0 | 110.9 | V230 V232 H259 F260 T262 C279 | V230-W272 HydrophobicContact CG1-CD2 4.12Å; V230-W272 HydrophobicContact CG1-CE3 3.63Å; V230-W272 HydrophobicContact CG1-CZ3 3.88Å; V232-W272 HydrophobicContact CB-CZ2 4.17Å; V232-W272 HydrophobicContact CG1-CZ2 3.85Å; V232-W272 HydrophobicContact CG2-CZ2 4.11Å; H259-W272 CarbonylContact C-O 3.56Å; H259-W272 VanDerWaalsContact CA-O 3.26Å; H259-W272 WeakPolarHBondContact CA-O 3.35Å; F260-W272 HydrophobicContact CD1-CB 4Å; F260-W272 HydrophobicContact CD2-CB 4.05Å; F260-W272 HydrophobicContact CD2-CG 4.45Å; F260-W272 HydrophobicContact CE1-CB 3.56Å; F260-W272 HydrophobicContact CE2-CB 3.62Å; F260-W272 AromaticContact CE2-CD1 3.79Å; F260-W272 AromaticContact CE2-CG 3.8Å; F260-W272 HydrophobicContact CE2-CG 3.8Å; F260-W272 HydrophobicContact CG-CB 4.24Å; F260-W272 HydrophobicContact CZ-CB 3.36Å; F260-W272 AromaticContact CZ-CG 3.84Å; F260-W272 HydrophobicContact CZ-CG 3.84Å; F260-W272 PolarHBondContact N-O 2.66Å; F260-W272 PolarHBondContact O-N 3.49Å; T262-W272 VanDerWaalsContact CG2-CD1 3.49Å; T262-W272 PolarHBondContact OG1-NE1 3.31Å; W272-C279 HydrophobicContact CD2-CB 4.22Å; W272-C279 HydrophobicContact CE3-CB 3.86Å; W272-C279 HydrophobicContact CH2-CB 3.77Å; W272-C279 HydrophobicContact CZ2-CB 4.1Å; W272-C279 HydrophobicContact CZ3-CB 3.64Å |
| 273 | E | 80.6 | Confident | 72.6 | Confident | 25 Ų | 25 | 40 Ų | 40 | 12% | 0.117 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.6 | 170.4 | -179.2 | 177.4 | -163 | 0 | 0 | 110.1 | S257 S275 T276 A277 R278 V280 | S257-E273 WeakPolarHBondContact CB-OE1 3.43Å; S257-E273 VanDerWaalsContact OG-CD 3.28Å; S257-E273 WeakPolarHBondContact OG-CG 3.42Å; S257-E273 PolarHBondContact OG-OE1 3.19Å; E273-S275 VanDerWaalsContact C-N 3.34Å; E273-S275 WeakPolarHBondContact CG-OG 3.44Å; E273-S275 PolarHBondContact O-N 2.91Å; E273-S275 PolarHBondContact OE1-OG 3.45Å; E273-S275 VanDerWaalsContact OE1-OG 3.13Å; E273-T276 WeakPolarHBondContact CB-OG1 3.37Å; E273-T276 HydrophobicContact CG-CG2 4.33Å; E273-T276 WeakPolarHBondContact CG-OG1 3.46Å; E273-T276 WeakPolarHBondContact OE2-CB 3.48Å; E273-T276 VanDerWaalsContact OE2-CG2 3.23Å; E273-T276 WeakPolarHBondContact OE2-CG2 3.36Å; E273-T276 PolarHBondContact OE2-OG1 2.96Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 PolarHBondContact O-N 3.36Å; E273-R278 PolarHBondContact N-O 3.46Å; E273-R278 VanDerWaalsContact N-O 3.11Å; E273-V280 HydrophobicContact CB-CG2 3.94Å |
| 274 | A | 72.8 | Confident | 71.1 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -27 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V218 L258 F260 | V218-A274 HydrophobicContact CG2-CB 4.36Å; L258-A274 HydrophobicContact CB-CB 3.9Å; L258-A274 WeakPolarHBondContact O-CB 3.36Å; L258-A274 PolarHBondContact O-N 3.42Å; F260-A274 HydrophobicContact CD1-CB 4.17Å; F260-A274 HydrophobicContact CE1-CB 4.26Å |
| 275 | S | 73.7 | Confident | 69.7 | Low | 69 Ų | 69 | 47.1 Ų | 47.1 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -42.7 | 178.8 | 49 | 0 | 0 | 0 | 0 | 112.5 | S257 E273 | S257-S275 VanDerWaalsContact CB-OG 3.3Å; S257-S275 WeakPolarHBondContact CB-OG 3.33Å; E273-S275 VanDerWaalsContact C-N 3.34Å; E273-S275 WeakPolarHBondContact CG-OG 3.44Å; E273-S275 PolarHBondContact O-N 2.91Å; E273-S275 PolarHBondContact OE1-OG 3.45Å; E273-S275 VanDerWaalsContact OE1-OG 3.13Å |
| 276 | T | 66.4 | Low | 68 | Low | 56 Ų | 56 | 50.7 Ų | 50.7 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -13.7 | -173.2 | 66 | 0 | 0 | 0 | 0 | 113.4 | E273 R278 | E273-T276 WeakPolarHBondContact CB-OG1 3.37Å; E273-T276 HydrophobicContact CG-CG2 4.33Å; E273-T276 WeakPolarHBondContact CG-OG1 3.46Å; E273-T276 WeakPolarHBondContact OE2-CB 3.48Å; E273-T276 VanDerWaalsContact OE2-CG2 3.23Å; E273-T276 WeakPolarHBondContact OE2-CG2 3.36Å; E273-T276 PolarHBondContact OE2-OG1 2.96Å; T276-R278 PolarHBondContact O-N 2.65Å; T276-R278 PolarHBondContact OG1-N 2.79Å |
| 277 | A | 67 | Low | 66.2 | Low | 23 Ų | 23 | 49.6 Ų | 49.6 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | trans | 55.8 | 24.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V230 E273 | V230-A277 HydrophobicContact CG1-CB 4.31Å; V230-A277 HydrophobicContact CG2-CB 3.84Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 PolarHBondContact O-N 3.36Å | ||
| 278 | R | 71.1 | Confident | 64.3 | Low | 184 Ų | 184 | 55.4 Ų | 55.4 | 69% | 0.694 | 32% | 0.317 | S | S | * | . | trans | -93.3 | 138.4 | 176.9 | -69.1 | -176.8 | 173.7 | -178.7 | -2.3 | 110.4 | E273 T276 V280 | E273-R278 PolarHBondContact N-O 3.46Å; E273-R278 VanDerWaalsContact N-O 3.11Å; T276-R278 PolarHBondContact O-N 2.65Å; T276-R278 PolarHBondContact OG1-N 2.79Å; R278-V280 PolarHBondContact O-N 3.05Å | ||
| 279 | C | 63.6 | Low | 62.1 | Low | 50 Ų | 50 | 59.8 Ų | 59.8 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 110.9 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | W272 T282 | W272-C279 HydrophobicContact CD2-CB 4.22Å; W272-C279 HydrophobicContact CE3-CB 3.86Å; W272-C279 HydrophobicContact CH2-CB 3.77Å; W272-C279 HydrophobicContact CZ2-CB 4.1Å; W272-C279 HydrophobicContact CZ3-CB 3.64Å; C279-T282 PolarHBondContact SG-OG1 3.01Å; C279-T282 VanDerWaalsContact SG-OG1 3.4Å |
| 280 | V | 62.5 | Low | 59.6 | Low | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -35.5 | -177.9 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | I251 V253 V271 E273 R278 | I251-V280 HydrophobicContact CG2-CG1 4.37Å; I251-V280 WeakPolarHBondContact O-CG1 3.39Å; V253-V280 HydrophobicContact CG2-CG1 3.73Å; V271-V280 PolarHBondContact O-N 3.17Å; E273-V280 HydrophobicContact CB-CG2 3.94Å; R278-V280 PolarHBondContact O-N 3.05Å |
| 281 | Y | 58.4 | Low | 57.2 | Low | 63 Ų | 63 | 68.7 Ų | 68.7 | 25% | 0.247 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 137 | -177.9 | -177.8 | -95.8 | 0 | 0 | 0 | 111.9 | I251 R270 V271 Q283 L334 | I251-Y281 HydrophobicContact CG2-CD2 4.14Å; I251-Y281 HydrophobicContact CG2-CG 3.81Å; R270-Y281 CarbonylContact C-O 3.6Å; R270-Y281 VanDerWaalsContact CA-O 3.29Å; R270-Y281 WeakPolarHBondContact CA-O 3.3Å; V271-Y281 HydrophobicContact CG2-CD1 4.43Å; V271-Y281 PolarHBondContact N-O 3.05Å; V271-Y281 PolarHBondContact O-N 2.87Å; Y281-Q283 HydrophobicContact CE1-CB 3.92Å; Y281-L334 HydrophobicContact CD1-CD1 3.41Å; Y281-L334 VanDerWaalsContact CD1-CD1 3.41Å; Y281-L334 HydrophobicContact CE1-CB 4.17Å; Y281-L334 HydrophobicContact CE1-CD1 3.33Å; Y281-L334 HydrophobicContact CE1-CG 4.36Å |
| 282 | T | 64.4 | Low | 54.5 | Low | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.5 | 169.5 | -62.3 | 0 | 0 | 0 | 0 | 106.7 | V268 R270 C279 S284 | V268-T282 HydrophobicContact CG1-CG2 3.65Å; R270-T282 HydrophobicContact CG-CG2 4.31Å; C279-T282 PolarHBondContact SG-OG1 3.01Å; C279-T282 VanDerWaalsContact SG-OG1 3.4Å; T282-S284 PolarHBondContact O-N 3.16Å |
| 283 | Q | 57.6 | Low | 51.9 | Low | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.061 | 46% | 0.455 | C | S | . | . | trans | -64.2 | 128.5 | -179.1 | 178.2 | 177.6 | 38.4 | 0 | 0 | 111.6 | V268 L269 Y281 Y329 L334 | V268-Q283 HydrophobicContact CG1-CB 3.9Å; V268-Q283 WeakPolarHBondContact CG1-O 3.46Å; L269-Q283 PolarHBondContact O-N 3Å; L269-Q283 VanDerWaalsContact O-N 3.15Å; Y281-Q283 HydrophobicContact CE1-CB 3.92Å; Q283-Y329 VanDerWaalsContact NE2-CD1 3.32Å; Q283-L334 PolarHBondContact NE2-O 2.79Å | ||
| 284 | S | 51.2 | Low | 49.6 | Very low | 98 Ų | 98 | 83.6 Ų | 83.6 | 69% | 0.685 | 49% | 0.491 | S | S | * | . | trans | -92.3 | 111.7 | 169.1 | 56.2 | 0 | 0 | 0 | 0 | 109.4 | T282 | T282-S284 PolarHBondContact O-N 3.16Š| ||
| 285 | L | 52.1 | Low | 47.7 | Very low | 53 Ų | 53 | 92.1 Ų | 92.1 | 28% | 0.277 | 53% | 0.528 | S | S | . | . | trans | -71.8 | 136.6 | 174.6 | -69 | 163.7 | 0 | 0 | 0 | 109.8 | ||||
| 286 | P | 43 | Very low | 45.6 | Very low | 109 Ų | 109 | 94.8 Ų | 94.8 | 71% | 0.708 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -65.5 | 137.8 | 171 | 24.3 | -28.3 | 0 | 0 | 0 | 110.1 | ||
| 287 | S | 34.7 | Very low | 44.2 | Very low | 80 Ų | 80 | 100.3 Ų | 100.3 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | trans | 81.1 | 80.3 | -173.5 | 71 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 288 | T | 33.4 | Very low | 42.9 | Very low | 126 Ų | 126 | 105.5 Ų | 105.5 | 77% | 0.773 | 58% | 0.577 | S | S | * | * | trans | -82.3 | 135.2 | 161.1 | 42.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 289 | L | 30.4 | Very low | 41.4 | Very low | 117 Ų | 117 | 103.8 Ų | 103.8 | 61% | 0.613 | 58% | 0.581 | S | S | * | * | trans | -144.7 | 115.1 | 134.5 | -92.1 | 172.3 | 0 | 0 | 0 | 108.4 | I471 | L289-I471 HydrophobicContact CD1-CD1 3.74Š| ||
| 290 | T | 25.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 108.3 Ų | 108.3 | 66% | 0.656 | 60% | 0.602 | S | S | * | * | trans | 48.6 | 128.2 | 154.7 | 53.6 | 0 | 0 | 0 | 0 | 120.9 | S292 | T290-S292 PolarHBondContact O-N 2.93Š| ||
| 291 | P | 29.6 | Very low | 40.7 | Very low | 129 Ų | 129 | 110.1 Ų | 110.1 | 84% | 0.838 | 61% | 0.61 | S | S | * | * | trans | -72.1 | 97.7 | 160.4 | 31.3 | -26.9 | 0 | 0 | 0 | 107.8 | ||||
| 292 | S | 24.3 | Very low | 40.8 | Very low | 97 Ų | 97 | 109.1 Ų | 109.1 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -79 | 123.6 | 159.5 | 51 | 0 | 0 | 0 | 0 | 107.7 | T290 | T290-S292 PolarHBondContact O-N 2.93Š| ||
| 293 | S | 27 | Very low | 40.8 | Very low | 74 Ų | 74 | 109.2 Ų | 109.2 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | trans | 55.3 | 96.9 | 176.7 | 34.6 | 0 | 0 | 0 | 0 | 115.8 | E295 D296 | S293-E295 PolarHBondContact O-N 2.85Å; S293-D296 PolarHBondContact OG-OD2 2.78Å | ||
| 294 | E | 33.6 | Very low | 41.6 | Very low | 185 Ų | 185 | 109.8 Ų | 109.8 | 86% | 0.864 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.7 | 128.6 | 136.4 | -62.1 | -167.2 | 158.8 | 0 | 0 | 107.3 | ||
| 295 | E | 32.7 | Very low | 43 | Very low | 191 Ų | 191 | 105.2 Ų | 105.2 | 89% | 0.893 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.6 | 5.1 | 179.4 | -58.3 | -176.6 | -179.1 | 0 | 0 | 118.2 | S293 K297 | S293-E295 PolarHBondContact O-N 2.85Å; E295-K297 PolarHBondContact O-N 3.39Å |
| 296 | D | 30.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 67% | 0.668 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -92.4 | 100.8 | 165.5 | -71.5 | -47.2 | 0 | 0 | 0 | 110.9 | S293 | S293-D296 PolarHBondContact OG-OD2 2.78Š|
| 297 | K | 36.6 | Very low | 45.7 | Very low | 172 Ų | 172 | 103.4 Ų | 103.4 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | trans | 16.5 | 101.2 | 166.7 | -61.9 | -180 | -177.9 | 177.6 | 0 | 115.1 | E295 D299 | E295-K297 PolarHBondContact O-N 3.39Å; K297-D299 PolarHBondContact O-N 2.85Å | ||
| 298 | E | 40.2 | Very low | 47.8 | Very low | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -6.7 | 175.3 | -68.8 | -167.2 | 142.7 | 0 | 0 | 114.7 | K214 | K214-E298 IonicContact NZ-OE2 3.04Š|
| 299 | D | 39.6 | Very low | 49.9 | Very low | 148 Ų | 148 | 96.6 Ų | 96.6 | 79% | 0.791 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -18.5 | -169.4 | -66.7 | -33 | 0 | 0 | 0 | 115.5 | K297 | K297-D299 PolarHBondContact O-N 2.85Š|
| 300 | D | 49.3 | Very low | 52.1 | Low | 144 Ų | 144 | 92.9 Ų | 92.9 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | trans | -122.2 | 40.4 | -174.7 | -87.5 | -26.2 | 0 | 0 | 0 | 113.5 | P302 | D300-P302 VanDerWaalsContact O-CD 3.28Å; D300-P302 WeakPolarHBondContact O-CD 3.5Å | ||
| 301 | N | 60.9 | Low | 54.3 | Low | 79 Ų | 79 | 88.1 Ų | 88.1 | 42% | 0.422 | 46% | 0.459 | S | S | . | . | trans | -76.2 | 115.6 | 168.2 | -86.1 | -39.6 | 0 | 0 | 0 | 109.9 | R303 S304 | N301-R303 PolarHBondContact O-N 2.98Å; N301-S304 WeakPolarHBondContact O-CB 3.35Å; N301-S304 PolarHBondContact O-N 2.96Å; N301-S304 PolarHBondContact O-OG 2.81Å | ||
| 302 | P | 59.9 | Low | 56 | Low | 43 Ų | 43 | 85.1 Ų | 85.1 | 28% | 0.279 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.9 | -178.2 | 26.8 | -35.6 | 0 | 0 | 0 | 113 | D300 E323 | D300-P302 VanDerWaalsContact O-CD 3.28Å; D300-P302 WeakPolarHBondContact O-CD 3.5Å; P302-E323 HydrophobicContact CB-CG 3.87Å; P302-E323 WeakPolarHBondContact CB-OE1 3.39Å |
| 303 | R | 64.4 | Low | 57.9 | Low | 70 Ų | 70 | 84.5 Ų | 84.5 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.4 | 178.3 | -62.7 | -176.5 | 172.8 | 175.4 | -2.2 | 113.7 | G267 N301 L305 Y383 | G267-R303 WeakPolarHBondContact CA-O 3.29Å; N301-R303 PolarHBondContact O-N 2.98Å; R303-L305 PolarHBondContact O-N 2.77Å; R303-Y383 HydrophobicContact CG-CE1 4.04Å; R303-Y383 VanDerWaalsContact NH2-CB 3.27Å; R303-Y383 VanDerWaalsContact NH2-CD1 3.32Å; R303-Y383 VanDerWaalsContact NH2-CD2 3.3Å |
| 304 | S | 75.6 | Confident | 59.6 | Low | 26 Ų | 26 | 83 Ų | 83 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | trans | -54.4 | 132.6 | 179.5 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | S265 N301 T321 A322 | S265-S304 WeakPolarHBondContact O-CA 3.41Å; S265-S304 WeakPolarHBondContact O-CB 3.24Å; N301-S304 WeakPolarHBondContact O-CB 3.35Å; N301-S304 PolarHBondContact O-N 2.96Å; N301-S304 PolarHBondContact O-OG 2.81Å; S304-T321 CarbonylContact O-C 3.52Å; S304-T321 WeakPolarHBondContact O-CA 3.41Å; S304-A322 PolarHBondContact O-N 2.88Å; S304-A322 WeakPolarHBondContact OG-CB 3.5Å | ||
| 305 | L | 80.8 | Confident | 61.5 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.8 | -178.9 | -61.3 | 176.5 | 0 | 0 | 0 | 109.1 | E237 A263 G264 L269 R303 T319 V320 T321 | E237-L305 VanDerWaalsContact CB-O 3.29Å; E237-L305 WeakPolarHBondContact CB-O 3.26Å; E237-L305 WeakPolarHBondContact CG-O 3.34Å; A263-L305 HydrophobicContact CB-CB 3.85Å; A263-L305 HydrophobicContact CB-CD1 3.67Å; A263-L305 HydrophobicContact CB-CG 4.41Å; G264-L305 PolarHBondContact O-N 2.69Å; G264-L305 VanDerWaalsContact O-N 3.15Å; L269-L305 HydrophobicContact CD2-CD1 3.8Å; L269-L305 HydrophobicContact CG-CD1 4.31Å; R303-L305 PolarHBondContact O-N 2.77Å; L305-T319 HydrophobicContact CD1-CG2 4.19Å; L305-V320 CarbonylContact C-O 3.57Å; L305-V320 WeakPolarHBondContact CA-O 3.41Å; L305-T321 HydrophobicContact CD2-CG2 3.9Å |
| 306 | T | 75.4 | Confident | 63.7 | Low | 43 Ų | 43 | 70.4 Ų | 70.4 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -38.7 | -179.4 | 42.8 | 0 | 0 | 0 | 0 | 112.2 | E237 V320 A322 | E237-T306 WeakPolarHBondContact CB-O 3.21Å; T306-V320 PolarHBondContact N-O 3.12Å; T306-V320 PolarHBondContact OG1-O 3.49Å; T306-V320 VanDerWaalsContact OG1-O 3.11Å; T306-A322 HydrophobicContact CG2-CB 4.47Å |
| 307 | Y | 75.5 | Confident | 66.1 | Low | 80 Ų | 80 | 64.5 Ų | 64.5 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.9 | 178.8 | -59.8 | -80.8 | 0 | 0 | 0 | 112 | G25 F309 T319 V320 | G25-Y307 WeakPolarHBondContact O-CE2 3.46Å; G25-Y307 PolarHBondContact O-OH 3.34Å; Y307-F309 HydrophobicContact CD1-CZ 4.22Å; Y307-F309 HydrophobicContact CG-CE2 4.29Å; Y307-F309 HydrophobicContact CG-CZ 4.09Å; Y307-T319 VanDerWaalsContact O-CA 3.3Å; Y307-T319 WeakPolarHBondContact O-CA 3.35Å; Y307-V320 HydrophobicContact CD2-CB 4.08Å; Y307-V320 HydrophobicContact CD2-CG1 4.33Å; Y307-V320 HydrophobicContact CD2-CG2 4.32Å; Y307-V320 PolarHBondContact O-N 2.81Å |
| 308 | L | 79.3 | Confident | 68.2 | Low | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.7 | 173.7 | 177.9 | 68.1 | 0 | 0 | 0 | 108.7 | V240 V261 A263 L269 L317 T319 | V240-L308 HydrophobicContact CB-CD2 3.78Å; V240-L308 HydrophobicContact CB-CG 4.03Å; V240-L308 HydrophobicContact CG2-CB 4.43Å; V240-L308 HydrophobicContact CG2-CD2 4Å; V240-L308 HydrophobicContact CG2-CG 3.74Å; V240-L308 WeakPolarHBondContact CG2-O 2.93Å; V261-L308 HydrophobicContact CB-CD2 4.1Å; V261-L308 HydrophobicContact CG1-CD2 3.98Å; V261-L308 WeakPolarHBondContact O-CD2 3.24Å; A263-L308 HydrophobicContact CB-CB 3.83Å; A263-L308 HydrophobicContact CB-CD1 4.47Å; A263-L308 HydrophobicContact CB-CD2 4.04Å; A263-L308 HydrophobicContact CB-CG 4.33Å; L269-L308 HydrophobicContact CD2-CD1 3.88Å; L308-L317 HydrophobicContact CD1-CB 4.47Å; L308-T319 HydrophobicContact CD1-CG2 3.6Å |
| 309 | F | 77.9 | Confident | 70.1 | Confident | 51 Ų | 51 | 50 Ų | 50 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.9 | 177.5 | -55.4 | -75.2 | 0 | 0 | 0 | 110.6 | V27 I29 Y307 L317 A318 V320 | V27-F309 HydrophobicContact CB-CE2 4.14Å; V27-F309 HydrophobicContact CB-CZ 4.39Å; V27-F309 HydrophobicContact CG1-CE2 4.26Å; V27-F309 WeakPolarHBondContact O-CZ 3.38Å; I29-F309 HydrophobicContact CD1-CB 4.13Å; I29-F309 HydrophobicContact CD1-CD2 4.19Å; I29-F309 HydrophobicContact CD1-CG 4.35Å; Y307-F309 HydrophobicContact CD1-CZ 4.22Å; Y307-F309 HydrophobicContact CG-CE2 4.29Å; Y307-F309 HydrophobicContact CG-CZ 4.09Å; F309-L317 WeakPolarHBondContact O-CA 3.35Å; F309-A318 HydrophobicContact CB-CB 4.32Å; F309-A318 PolarHBondContact N-O 3.23Å; F309-A318 PolarHBondContact O-N 2.95Å; F309-V320 HydrophobicContact CE2-CG2 4.16Å |
| 310 | H | 75.6 | Confident | 72.2 | Confident | 39 Ų | 39 | 43 Ų | 43 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.7 | 168.6 | -167.8 | -109 | 0 | 0 | 0 | 109.8 | V240 P243 P312 | V240-H310 HydrophobicContact CB-CB 4.49Å; V240-H310 HydrophobicContact CG1-CB 3.47Å; V240-H310 VanDerWaalsContact CG1-CB 3.47Å; V240-H310 HydrophobicContact CG2-CB 4.22Å; P243-H310 VanDerWaalsContact CD-NE2 3.31Å; P243-H310 WeakPolarHBondContact CD-NE2 3.5Å; H310-P312 WeakPolarHBondContact O-CD 3.4Å |
| 311 | L | 71.9 | Confident | 73.7 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 96.2 | 171.7 | -66.1 | 174.6 | 0 | 0 | 0 | 108.2 | I29 E33 A313 S315 R316 A318 F328 | I29-L311 HydrophobicContact CB-CD2 4.11Å; I29-L311 HydrophobicContact CD1-CD1 4.37Å; I29-L311 HydrophobicContact CD1-CD2 4.02Å; I29-L311 HydrophobicContact CD1-CG 4.48Å; I29-L311 HydrophobicContact CG2-CD2 3.6Å; E33-L311 HydrophobicContact CB-CD2 4.45Å; E33-L311 HydrophobicContact CG-CB 4.4Å; E33-L311 HydrophobicContact CG-CD2 3.89Å; E33-L311 VanDerWaalsContact OE1-CA 3.26Å; E33-L311 WeakPolarHBondContact OE1-CA 3.46Å; E33-L311 VanDerWaalsContact OE1-CB 3.26Å; E33-L311 WeakPolarHBondContact OE1-CB 3.31Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 2.82Å; L311-S315 WeakPolarHBondContact O-CA 3.36Å; L311-S315 PolarHBondContact O-N 2.79Å; L311-R316 HydrophobicContact CB-CB 4.08Å; L311-R316 WeakPolarHBondContact CB-O 3.48Å; L311-R316 HydrophobicContact CD1-CB 3.96Å; L311-R316 PolarHBondContact N-O 3.01Å; L311-R316 PolarHBondContact O-N 2.77Å; L311-A318 HydrophobicContact CD1-CB 4.39Å; L311-F328 HydrophobicContact CD1-CD1 4.11Å; L311-F328 HydrophobicContact CD1-CE1 3.94Å |
| 312 | P | 65.9 | Low | 74.5 | Confident | 66 Ų | 66 | 34.3 Ų | 34.3 | 43% | 0.429 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.9 | -171.1 | -10.2 | 25.2 | 0 | 0 | 0 | 114.6 | H310 | H310-P312 WeakPolarHBondContact O-CD 3.4Š|
| 313 | A | 64.1 | Low | 75.2 | Confident | 84 Ų | 84 | 34.8 Ų | 34.8 | 69% | 0.694 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -39.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E33 L311 | E33-A313 HydrophobicContact CG-CB 4.35Å; E33-A313 WeakPolarHBondContact OE1-CA 3.37Å; E33-A313 VanDerWaalsContact OE1-CB 3.3Å; E33-A313 WeakPolarHBondContact OE1-CB 3.5Å; E33-A313 PolarHBondContact OE1-N 3.26Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 2.82Å |
| 314 | S | 62.7 | Low | 76.1 | Confident | 43 Ų | 43 | 34 Ų | 34 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -3.8 | 177.2 | 60.4 | 0 | 0 | 0 | 0 | 115 | E33 R316 | E33-S314 PolarHBondContact OE1-N 3.48Å; E33-S314 WeakPolarHBondContact OE2-CB 3.42Å; E33-S314 PolarHBondContact OE2-N 3.13Å; E33-S314 PolarHBondContact OE2-OG 3.21Å; S314-R316 PolarHBondContact O-N 2.8Å; S314-R316 WeakPolarHBondContact OG-CB 3.34Å; S314-R316 WeakPolarHBondContact OG-CD 3.42Å; S314-R316 WeakPolarHBondContact OG-CG 3.47Å |
| 315 | S | 72.1 | Confident | 76.5 | Confident | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.5 | -170.9 | -57 | 0 | 0 | 0 | 0 | 112 | L311 L331 | L311-S315 WeakPolarHBondContact O-CA 3.36Å; L311-S315 PolarHBondContact O-N 2.79Å; S315-L331 WeakPolarHBondContact O-CB 3.46Å; S315-L331 PolarHBondContact O-N 2.98Å |
| 316 | R | 79.1 | Confident | 76.8 | Confident | 73 Ų | 73 | 32.8 Ų | 32.8 | 28% | 0.275 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 154.6 | 175.5 | -67.6 | 175.9 | 177.7 | 178.1 | -6.9 | 110.4 | L311 S314 Y329 | L311-R316 HydrophobicContact CB-CB 4.08Å; L311-R316 WeakPolarHBondContact CB-O 3.48Å; L311-R316 HydrophobicContact CD1-CB 3.96Å; L311-R316 PolarHBondContact N-O 3.01Å; L311-R316 PolarHBondContact O-N 2.77Å; S314-R316 PolarHBondContact O-N 2.8Å; S314-R316 WeakPolarHBondContact OG-CB 3.34Å; S314-R316 WeakPolarHBondContact OG-CD 3.42Å; S314-R316 WeakPolarHBondContact OG-CG 3.47Å; R316-Y329 CarbonylContact C-O 3.51Å; R316-Y329 WeakPolarHBondContact CA-O 3.33Å; R316-Y329 WeakPolarHBondContact CB-O 3.33Å |
| 317 | L | 80.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.5 | 165.7 | -65 | 174 | 0 | 0 | 0 | 108 | V240 L242 V261 L269 L308 F309 F328 Y329 L331 L334 | V240-L317 HydrophobicContact CG1-CD2 4.03Å; L242-L317 HydrophobicContact CD2-CD2 4.43Å; V261-L317 HydrophobicContact CG1-CD1 4.2Å; V261-L317 HydrophobicContact CG2-CD1 4.11Å; L269-L317 HydrophobicContact CD1-CD1 4.37Å; L308-L317 HydrophobicContact CD1-CB 4.47Å; F309-L317 WeakPolarHBondContact O-CA 3.35Å; L317-F328 CarbonylContact O-C 3.42Å; L317-F328 WeakPolarHBondContact O-CA 3.34Å; L317-Y329 PolarHBondContact N-O 2.94Å; L317-Y329 PolarHBondContact O-N 3.02Å; L317-L331 HydrophobicContact CD1-CD1 4.42Å; L317-L331 HydrophobicContact CD1-CD2 3.97Å; L317-L331 HydrophobicContact CD1-CG 4.32Å; L317-L331 HydrophobicContact CD2-CD1 4.35Å; L317-L331 HydrophobicContact CG-CD1 4.03Å; L317-L331 HydrophobicContact CG-CD2 4.4Å; L317-L331 HydrophobicContact CG-CG 4.21Å; L317-L334 HydrophobicContact CD1-CD2 3.83Å |
| 318 | A | 81.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I29 F309 L311 L327 F328 | I29-A318 HydrophobicContact CD1-CB 3.4Å; F309-A318 HydrophobicContact CB-CB 4.32Å; F309-A318 PolarHBondContact N-O 3.23Å; F309-A318 PolarHBondContact O-N 2.95Å; L311-A318 HydrophobicContact CD1-CB 4.39Å; A318-L327 CarbonylContact C-O 3.49Å; A318-L327 VanDerWaalsContact CA-O 3.29Å; A318-L327 WeakPolarHBondContact CA-O 2.99Å; A318-F328 HydrophobicContact CB-CD1 3.86Å; A318-F328 HydrophobicContact CB-CE1 3.72Å |
| 319 | T | 80.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 153.6 | 170.2 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | L269 L305 Y307 L308 I326 L327 Y329 | L269-T319 HydrophobicContact CD1-CG2 3.87Å; L269-T319 HydrophobicContact CD2-CG2 3.73Å; L269-T319 HydrophobicContact CG-CG2 4.15Å; L305-T319 HydrophobicContact CD1-CG2 4.19Å; Y307-T319 VanDerWaalsContact O-CA 3.3Å; Y307-T319 WeakPolarHBondContact O-CA 3.35Å; L308-T319 HydrophobicContact CD1-CG2 3.6Å; T319-I326 CarbonylContact O-C 3.53Å; T319-I326 VanDerWaalsContact O-CA 3.3Å; T319-I326 WeakPolarHBondContact O-CA 3.4Å; T319-L327 PolarHBondContact N-O 2.91Å; T319-L327 PolarHBondContact O-N 2.86Å; T319-L327 WeakPolarHBondContact OG1-CB 3.24Å; T319-Y329 HydrophobicContact CG2-CD2 4.09Å; T319-Y329 HydrophobicContact CG2-CE2 3.64Å; T319-Y329 WeakPolarHBondContact OG1-CE2 3.39Å |
| 320 | V | 82.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.6 | 171.5 | -174.7 | 0 | 0 | 0 | 0 | 107.9 | Y22 V27 L305 T306 Y307 F309 N325 I326 | Y22-V320 HydrophobicContact CD1-CG1 4.39Å; Y22-V320 HydrophobicContact CE1-CG1 3.46Å; Y22-V320 VanDerWaalsContact CE1-CG1 3.46Å; V27-V320 HydrophobicContact CB-CG2 4.17Å; V27-V320 HydrophobicContact CG1-CG2 4.36Å; V27-V320 HydrophobicContact CG2-CG1 4.43Å; V27-V320 HydrophobicContact CG2-CG2 4.07Å; L305-V320 CarbonylContact C-O 3.57Å; L305-V320 WeakPolarHBondContact CA-O 3.41Å; T306-V320 PolarHBondContact N-O 3.12Å; T306-V320 PolarHBondContact OG1-O 3.49Å; T306-V320 VanDerWaalsContact OG1-O 3.11Å; Y307-V320 HydrophobicContact CD2-CB 4.08Å; Y307-V320 HydrophobicContact CD2-CG1 4.33Å; Y307-V320 HydrophobicContact CD2-CG2 4.32Å; Y307-V320 PolarHBondContact O-N 2.81Å; F309-V320 HydrophobicContact CE2-CG2 4.16Å; V320-N325 CarbonylContact C-O 3.56Å; V320-N325 VanDerWaalsContact CA-O 3.27Å; V320-N325 WeakPolarHBondContact CA-O 3.11Å; V320-I326 HydrophobicContact CG2-CG1 4.37Å |
| 321 | T | 81 | Confident | 77.1 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 161.5 | 175.1 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | S304 L305 E323 H324 N325 L327 | S304-T321 CarbonylContact O-C 3.52Å; S304-T321 WeakPolarHBondContact O-CA 3.41Å; L305-T321 HydrophobicContact CD2-CG2 3.9Å; T321-E323 VanDerWaalsContact C-N 3.27Å; T321-E323 PolarHBondContact O-N 2.98Å; T321-H324 PolarHBondContact O-N 3.31Å; T321-H324 VanDerWaalsContact O-N 3.11Å; T321-N325 HydrophobicContact CG2-CB 4.27Å; T321-N325 PolarHBondContact N-O 3.19Å; T321-N325 VanDerWaalsContact OG1-CB 3.26Å; T321-N325 WeakPolarHBondContact OG1-CB 3.43Å; T321-N325 PolarHBondContact OG1-N 3.15Å; T321-N325 PolarHBondContact OG1-ND2 3.4Å; T321-L327 HydrophobicContact CG2-CD1 3.85Å; T321-L327 HydrophobicContact CG2-CG 4.28Å |
| 322 | A | 78.8 | Confident | 76.5 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 31% | 0.306 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -35 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S304 T306 H324 | S304-A322 PolarHBondContact O-N 2.88Å; S304-A322 WeakPolarHBondContact OG-CB 3.5Å; T306-A322 HydrophobicContact CG2-CB 4.47Å; A322-H324 PolarHBondContact O-CD2 2.98Å; A322-H324 PolarHBondContact O-N 3.36Å |
| 323 | E | 73.1 | Confident | 76.3 | Confident | 53 Ų | 53 | 27.7 Ų | 27.7 | 25% | 0.248 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 23.6 | 172.3 | -68.7 | -165.7 | 171.3 | 0 | 0 | 114.6 | P302 T321 N325 Q368 | P302-E323 HydrophobicContact CB-CG 3.87Å; P302-E323 WeakPolarHBondContact CB-OE1 3.39Å; T321-E323 VanDerWaalsContact C-N 3.27Å; T321-E323 PolarHBondContact O-N 2.98Å; E323-N325 VanDerWaalsContact C-N 3.32Å; E323-N325 PolarHBondContact O-N 2.84Å; E323-Q368 VanDerWaalsContact CD-NE2 3.25Å; E323-Q368 PolarHBondContact OE1-NE2 2.73Å; E323-Q368 PolarHBondContact OE2-NE2 2.99Å; E323-Q368 PolarHBondContact OE2-OE1 3.17Å |
| 324 | H | 84.1 | Confident | 76.4 | Confident | 55 Ų | 55 | 23.9 Ų | 23.9 | 26% | 0.255 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 63.2 | 31.1 | 173.2 | -46.2 | 137.7 | 0 | 0 | 0 | 114.9 | Y22 G24 T321 A322 G342 | Y22-H324 HydrophobicContact CD1-CB 3.54Å; Y22-H324 HydrophobicContact CE1-CB 3.91Å; Y22-H324 AromaticContact CE1-CD2 3.95Å; Y22-H324 HydrophobicContact CG-CB 4.47Å; Y22-H324 WeakPolarHBondContact O-CB 3.35Å; G24-H324 WeakPolarHBondContact CA-NE2 3.29Å; G24-H324 PolarHBondContact N-CD2 3.07Å; G24-H324 VanDerWaalsContact N-CD2 3.29Å; G24-H324 PolarHBondContact N-NE2 2.92Å; T321-H324 PolarHBondContact O-N 3.31Å; T321-H324 VanDerWaalsContact O-N 3.11Å; A322-H324 PolarHBondContact O-CD2 2.98Å; A322-H324 PolarHBondContact O-N 3.36Å; H324-G342 WeakPolarHBondContact O-CA 3.41Å; H324-G342 PolarHBondContact O-N 2.62Å |
| 325 | N | 84.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 144.7 | 174.2 | -53.1 | -52.6 | 0 | 0 | 0 | 110.7 | V320 T321 E323 L340 V341 I381 | V320-N325 CarbonylContact C-O 3.56Å; V320-N325 VanDerWaalsContact CA-O 3.27Å; V320-N325 WeakPolarHBondContact CA-O 3.11Å; T321-N325 HydrophobicContact CG2-CB 4.27Å; T321-N325 PolarHBondContact N-O 3.19Å; T321-N325 VanDerWaalsContact OG1-CB 3.26Å; T321-N325 WeakPolarHBondContact OG1-CB 3.43Å; T321-N325 PolarHBondContact OG1-N 3.15Å; T321-N325 PolarHBondContact OG1-ND2 3.4Å; E323-N325 VanDerWaalsContact C-N 3.32Å; E323-N325 PolarHBondContact O-N 2.84Å; N325-L340 CarbonylContact C-O 3.58Å; N325-L340 WeakPolarHBondContact CA-O 3.49Å; N325-V341 WeakPolarHBondContact OD1-CG1 3.48Å; N325-I381 HydrophobicContact CB-CD1 4.07Å |
| 326 | I | 86.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.3 | 175.5 | -53.1 | -178.2 | 0 | 0 | 0 | 108.5 | F21 V27 I36 T319 V320 F328 Q339 L340 | F21-I326 HydrophobicContact CE2-CD1 3.83Å; F21-I326 HydrophobicContact CZ-CD1 4.41Å; V27-I326 HydrophobicContact CG1-CD1 4.28Å; I36-I326 HydrophobicContact CD1-CD1 4.19Å; I36-I326 HydrophobicContact CD1-CG2 4.45Å; I36-I326 HydrophobicContact CG2-CD1 4.12Å; T319-I326 CarbonylContact O-C 3.53Å; T319-I326 VanDerWaalsContact O-CA 3.3Å; T319-I326 WeakPolarHBondContact O-CA 3.4Å; V320-I326 HydrophobicContact CG2-CG1 4.37Å; I326-F328 HydrophobicContact CG2-CE2 4.1Å; I326-F328 HydrophobicContact CG2-CZ 4.1Å; I326-Q339 CarbonylContact O-C 3.55Å; I326-Q339 WeakPolarHBondContact O-CA 3.49Å; I326-L340 HydrophobicContact CB-CB 4.38Å; I326-L340 PolarHBondContact N-O 3.21Å; I326-L340 PolarHBondContact O-N 3.43Å |
| 327 | L | 83.3 | Confident | 76.1 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.4 | -177.8 | -48.5 | 174.7 | 0 | 0 | 0 | 110 | A318 T319 T321 Y329 Q339 | A318-L327 CarbonylContact C-O 3.49Å; A318-L327 VanDerWaalsContact CA-O 3.29Å; A318-L327 WeakPolarHBondContact CA-O 2.99Å; T319-L327 PolarHBondContact N-O 2.91Å; T319-L327 PolarHBondContact O-N 2.86Å; T319-L327 WeakPolarHBondContact OG1-CB 3.24Å; T321-L327 HydrophobicContact CG2-CD1 3.85Å; T321-L327 HydrophobicContact CG2-CG 4.28Å; L327-Y329 HydrophobicContact CB-CE2 3.77Å; L327-Y329 HydrophobicContact CD1-CE2 4.47Å; L327-Y329 VanDerWaalsContact CD1-OH 3.27Å; L327-Y329 WeakPolarHBondContact CD1-OH 3.35Å; L327-Q339 HydrophobicContact CD2-CB 3.56Å; L327-Q339 HydrophobicContact CD2-CG 3.48Å; L327-Q339 VanDerWaalsContact CD2-CG 3.48Å |
| 328 | F | 84.1 | Confident | 75.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.6 | 173.2 | -65.6 | -78.5 | 0 | 0 | 0 | 110.9 | I29 I36 I49 L311 L317 A318 I326 Q337 Q338 L340 | I29-F328 HydrophobicContact CD1-CE1 4.43Å; I36-F328 HydrophobicContact CD1-CE2 4.2Å; I36-F328 HydrophobicContact CD1-CZ 3.65Å; I49-F328 HydrophobicContact CD1-CZ 4.39Å; I49-F328 HydrophobicContact CG1-CZ 4.14Å; I49-F328 HydrophobicContact CG2-CE1 4.36Å; I49-F328 HydrophobicContact CG2-CE2 4.17Å; I49-F328 HydrophobicContact CG2-CZ 3.92Å; L311-F328 HydrophobicContact CD1-CD1 4.11Å; L311-F328 HydrophobicContact CD1-CE1 3.94Å; L317-F328 CarbonylContact O-C 3.42Å; L317-F328 WeakPolarHBondContact O-CA 3.34Å; A318-F328 HydrophobicContact CB-CD1 3.86Å; A318-F328 HydrophobicContact CB-CE1 3.72Å; I326-F328 HydrophobicContact CG2-CE2 4.1Å; I326-F328 HydrophobicContact CG2-CZ 4.1Å; F328-Q337 PolarHBondContact O-N 3.03Å; F328-Q338 HydrophobicContact CB-CB 4.35Å; F328-Q338 HydrophobicContact CD2-CB 4.11Å; F328-Q338 HydrophobicContact CD2-CG 4.43Å; F328-Q338 PolarHBondContact N-O 2.86Å; F328-L340 HydrophobicContact CE2-CD1 3.89Å; F328-L340 HydrophobicContact CE2-CG 4.3Å |
| 329 | Y | 79.5 | Confident | 75.9 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.5 | 173.2 | -56.3 | -85.9 | 0 | 0 | 0 | 110.1 | L269 Q283 R316 L317 T319 L327 L334 T336 | L269-Y329 HydrophobicContact CD1-CD1 4.46Å; L269-Y329 HydrophobicContact CD1-CD2 3.5Å; L269-Y329 HydrophobicContact CD1-CE1 4.49Å; L269-Y329 HydrophobicContact CD1-CE2 3.55Å; L269-Y329 HydrophobicContact CD1-CG 3.97Å; L269-Y329 HydrophobicContact CG-CE2 4.43Å; Q283-Y329 VanDerWaalsContact NE2-CD1 3.32Å; R316-Y329 CarbonylContact C-O 3.51Å; R316-Y329 WeakPolarHBondContact CA-O 3.33Å; R316-Y329 WeakPolarHBondContact CB-O 3.33Å; L317-Y329 PolarHBondContact N-O 2.94Å; L317-Y329 PolarHBondContact O-N 3.02Å; T319-Y329 HydrophobicContact CG2-CD2 4.09Å; T319-Y329 HydrophobicContact CG2-CE2 3.64Å; T319-Y329 WeakPolarHBondContact OG1-CE2 3.39Å; L327-Y329 HydrophobicContact CB-CE2 3.77Å; L327-Y329 HydrophobicContact CD1-CE2 4.47Å; L327-Y329 VanDerWaalsContact CD1-OH 3.27Å; L327-Y329 WeakPolarHBondContact CD1-OH 3.35Å; Y329-L334 WeakPolarHBondContact CD1-O 3.39Å; Y329-T336 HydrophobicContact CD1-CG2 3.77Å; Y329-T336 HydrophobicContact CE1-CG2 3.29Å |
| 330 | Q | 77.6 | Confident | 76 | Confident | 75 Ų | 75 | 29.6 Ų | 29.6 | 35% | 0.35 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.8 | 170.4 | -175 | 179.6 | 13.9 | 0 | 0 | 110.3 | L334 T335 Q337 | Q330-L334 VanDerWaalsContact O-CA 3.31Å; Q330-L334 WeakPolarHBondContact O-CA 3.45Å; Q330-L334 PolarHBondContact O-N 2.99Å; Q330-T335 PolarHBondContact N-O 2.97Å; Q330-Q337 HydrophobicContact CB-CG 3.97Å; Q330-Q337 VanDerWaalsContact CD-NE2 3.28Å |
| 331 | L | 65.7 | Low | 75.9 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 136.8 | 166.1 | -65 | 162.8 | 0 | 0 | 0 | 108.7 | L242 S315 L317 L334 | L242-L331 HydrophobicContact CD2-CD1 3.54Å; L242-L331 HydrophobicContact CD2-CD2 4.29Å; S315-L331 WeakPolarHBondContact O-CB 3.46Å; S315-L331 PolarHBondContact O-N 2.98Å; L317-L331 HydrophobicContact CD1-CD1 4.42Å; L317-L331 HydrophobicContact CD1-CD2 3.97Å; L317-L331 HydrophobicContact CD1-CG 4.32Å; L317-L331 HydrophobicContact CD2-CD1 4.35Å; L317-L331 HydrophobicContact CG-CD1 4.03Å; L317-L331 HydrophobicContact CG-CD2 4.4Å; L317-L331 HydrophobicContact CG-CG 4.21Å; L331-L334 HydrophobicContact CD2-CD2 3.79Å; L331-L334 HydrophobicContact CD2-CG 4.32Å |
| 332 | P | 59.8 | Low | 75.6 | Confident | 45 Ų | 45 | 29.6 Ų | 29.6 | 29% | 0.292 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.3 | -12.5 | 14.4 | -5.6 | 26.1 | 0 | 0 | 0 | 116.4 | L248 I251 L334 | L248-P332 HydrophobicContact CD2-CB 3.88Å; I251-P332 HydrophobicContact CD1-CB 4.27Å; I251-P332 WeakPolarHBondContact CD1-O 3.4Å; I251-P332 HydrophobicContact CG1-CB 4.33Å; I251-P332 WeakPolarHBondContact CG1-O 3.4Å; P332-L334 VanDerWaalsContact C-N 3.28Å; P332-L334 PolarHBondContact O-N 2.88Å |
| 333 | S | 60.1 | Low | 75.8 | Confident | 43 Ų | 43 | 30.5 Ų | 30.5 | 30% | 0.301 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.1 | -170.7 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | T335 | S333-T335 PolarHBondContact O-N 2.8Å; S333-T335 VanDerWaalsContact O-N 3.08Å; S333-T335 PolarHBondContact OG-OG1 2.86Å |
| 334 | L | 66.1 | Low | 76.1 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 30.9 | -173.9 | -70.5 | 168.5 | 0 | 0 | 0 | 112.8 | L269 V271 Y281 Q283 L317 Y329 Q330 L331 P332 | L269-L334 HydrophobicContact CD1-CD2 4.47Å; V271-L334 HydrophobicContact CG2-CD1 4.02Å; Y281-L334 HydrophobicContact CD1-CD1 3.41Å; Y281-L334 VanDerWaalsContact CD1-CD1 3.41Å; Y281-L334 HydrophobicContact CE1-CB 4.17Å; Y281-L334 HydrophobicContact CE1-CD1 3.33Å; Y281-L334 HydrophobicContact CE1-CG 4.36Å; Q283-L334 PolarHBondContact NE2-O 2.79Å; L317-L334 HydrophobicContact CD1-CD2 3.83Å; Y329-L334 WeakPolarHBondContact CD1-O 3.39Å; Q330-L334 VanDerWaalsContact O-CA 3.31Å; Q330-L334 WeakPolarHBondContact O-CA 3.45Å; Q330-L334 PolarHBondContact O-N 2.99Å; L331-L334 HydrophobicContact CD2-CD2 3.79Å; L331-L334 HydrophobicContact CD2-CG 4.32Å; P332-L334 VanDerWaalsContact C-N 3.28Å; P332-L334 PolarHBondContact O-N 2.88Å |
| 335 | T | 67.6 | Low | 76.1 | Confident | 71 Ų | 71 | 28.1 Ų | 28.1 | 44% | 0.436 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.8 | 174.1 | 46.3 | 0 | 0 | 0 | 0 | 109.8 | Q330 S333 Q337 | Q330-T335 PolarHBondContact N-O 2.97Å; S333-T335 PolarHBondContact O-N 2.8Å; S333-T335 VanDerWaalsContact O-N 3.08Å; S333-T335 PolarHBondContact OG-OG1 2.86Å; T335-Q337 PolarHBondContact O-N 3.21Å |
| 336 | T | 70.1 | Confident | 76.3 | Confident | 59 Ų | 59 | 32 Ų | 32 | 36% | 0.362 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 111.1 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | Y329 | Y329-T336 HydrophobicContact CD1-CG2 3.77Å; Y329-T336 HydrophobicContact CE1-CG2 3.29Å |
| 337 | Q | 70.7 | Confident | 76.6 | Confident | 91 Ų | 91 | 32 Ų | 32 | 43% | 0.425 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -42.5 | 175.3 | -76.3 | -155.4 | -25.3 | 0 | 0 | 111.7 | F328 Q330 T335 | F328-Q337 PolarHBondContact O-N 3.03Å; Q330-Q337 HydrophobicContact CB-CG 3.97Å; Q330-Q337 VanDerWaalsContact CD-NE2 3.28Å; T335-Q337 PolarHBondContact O-N 3.21Å |
| 338 | Q | 75.1 | Confident | 77 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 12% | 0.117 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 135.9 | -172.3 | -170.3 | 176.8 | 1.9 | 0 | 0 | 109.1 | I49 F328 L340 | I49-Q338 PolarHBondContact O-NE2 3.12Å; I49-Q338 PolarHBondContact O-OE1 3.45Å; F328-Q338 HydrophobicContact CB-CB 4.35Å; F328-Q338 HydrophobicContact CD2-CB 4.11Å; F328-Q338 HydrophobicContact CD2-CG 4.43Å; F328-Q338 PolarHBondContact N-O 2.86Å; Q338-L340 HydrophobicContact CG-CD2 4.38Å |
| 339 | Q | 82.4 | Confident | 77.3 | Confident | 24 Ų | 24 | 33 Ų | 33 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.4 | 171.5 | -43.2 | -179.9 | -18.3 | 0 | 0 | 107.2 | I326 L327 C379 | I326-Q339 CarbonylContact O-C 3.55Å; I326-Q339 WeakPolarHBondContact O-CA 3.49Å; L327-Q339 HydrophobicContact CD2-CB 3.56Å; L327-Q339 HydrophobicContact CD2-CG 3.48Å; L327-Q339 VanDerWaalsContact CD2-CG 3.48Å; Q339-C379 WeakPolarHBondContact CB-O 3.3Å; Q339-C379 WeakPolarHBondContact O-CB 3.25Å; Q339-C379 PolarHBondContact O-N 2.89Å |
| 340 | L | 82.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125 | 173.5 | -60.6 | 177.2 | 0 | 0 | 0 | 107.4 | F21 I36 N325 I326 F328 Q338 | F21-L340 HydrophobicContact CE1-CB 4.33Å; F21-L340 HydrophobicContact CZ-CB 3.82Å; I36-L340 HydrophobicContact CD1-CD1 4Å; N325-L340 CarbonylContact C-O 3.58Å; N325-L340 WeakPolarHBondContact CA-O 3.49Å; I326-L340 HydrophobicContact CB-CB 4.38Å; I326-L340 PolarHBondContact N-O 3.21Å; I326-L340 PolarHBondContact O-N 3.43Å; F328-L340 HydrophobicContact CE2-CD1 3.89Å; F328-L340 HydrophobicContact CE2-CG 4.3Å; Q338-L340 HydrophobicContact CG-CD2 4.38Å |
| 341 | V | 81.5 | Confident | 78.5 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.6 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | F21 N325 Y343 N344 K370 F372 C379 I381 | F21-V341 WeakPolarHBondContact CE1-O 3.49Å; N325-V341 WeakPolarHBondContact OD1-CG1 3.48Å; V341-Y343 WeakPolarHBondContact CG1-O 3.39Å; V341-N344 WeakPolarHBondContact CG1-OD1 3.47Å; V341-K370 HydrophobicContact CB-CD 4.45Å; V341-K370 HydrophobicContact CG1-CD 3.82Å; V341-K370 VanDerWaalsContact CG1-CE 3.47Å; V341-K370 HydrophobicContact CG2-CD 4Å; V341-K370 HydrophobicContact CG2-CG 4.28Å; V341-F372 HydrophobicContact CB-CE1 4.13Å; V341-F372 HydrophobicContact CB-CZ 4.03Å; V341-F372 HydrophobicContact CG1-CZ 4.48Å; V341-F372 HydrophobicContact CG2-CE1 4.35Å; V341-F372 HydrophobicContact CG2-CZ 4.23Å; V341-C379 HydrophobicContact CG2-CB 3.66Å; V341-C379 WeakPolarHBondContact CG2-SG 3.18Å; V341-I381 HydrophobicContact CG2-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CG1 4.28Å |
| 342 | G | 73.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -79.2 | -38 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P20 F21 Y22 H324 | P20-G342 CarbonylContact C-O 3.55Å; P20-G342 VanDerWaalsContact CA-O 3.26Å; P20-G342 WeakPolarHBondContact CA-O 3.29Å; F21-G342 VanDerWaalsContact CZ-CA 3.4Å; F21-G342 PolarHBondContact N-O 2.86Å; Y22-G342 PolarHBondContact N-O 2.74Å; Y22-G342 VanDerWaalsContact N-O 3.14Å; Y22-G342 CarbonylContact O-C 3.57Å; H324-G342 WeakPolarHBondContact O-CA 3.41Å; H324-G342 PolarHBondContact O-N 2.62Å |
| 343 | Y | 82.3 | Confident | 80.9 | Confident | 55 Ų | 55 | 27.6 Ų | 27.6 | 22% | 0.216 | 14% | 0.144 | C | C | . | . | trans | -128.1 | 118 | 176.7 | -167.2 | -121.4 | 0 | 0 | 0 | 109.8 | P20 Y22 K23 V341 D345 K370 S635 | P20-Y343 HydrophobicContact CB-CD2 3.56Å; P20-Y343 HydrophobicContact CB-CE2 3.96Å; Y22-Y343 WeakPolarHBondContact O-CB 3.38Å; K23-Y343 HydrophobicContact CD-CD2 4.26Å; K23-Y343 HydrophobicContact CD-CE2 4.11Å; K23-Y343 HydrophobicContact CG-CD2 3.68Å; K23-Y343 HydrophobicContact CG-CE2 4.04Å; K23-Y343 HydrophobicContact CG-CG 4.23Å; V341-Y343 WeakPolarHBondContact CG1-O 3.39Å; Y343-D345 HydrophobicContact CE1-CB 4.23Å; Y343-K370 PolarHBondContact O-NZ 3.36Å; Y343-S635 WeakPolarHBondContact CE2-OG 3.4Å; Y343-S635 VanDerWaalsContact CZ-OG 3.26Å; Y343-S635 PolarHBondContact OH-OG 2.96Å | ||
| 344 | N | 79.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | trans | -85.4 | 122.4 | 158.8 | -63 | -42.7 | 0 | 0 | 0 | 105 | V341 V347 K370 S635 | V341-N344 WeakPolarHBondContact CG1-OD1 3.47Å; N344-V347 HydrophobicContact CB-CG2 4.08Å; N344-K370 WeakPolarHBondContact OD1-CD 3.22Å; N344-K370 PolarHBondContact OD1-NZ 2.99Å; N344-S635 WeakPolarHBondContact O-CA 3.29Å; N344-S635 WeakPolarHBondContact O-CB 3.34Å; N344-S635 PolarHBondContact O-OG 3.22Å | ||
| 345 | D | 84.5 | Confident | 81.9 | Confident | 57 Ų | 57 | 32.9 Ų | 32.9 | 31% | 0.305 | 16% | 0.163 | S | C | . | . | trans | -66.2 | -158.7 | 168 | -163.1 | 3.7 | 0 | 0 | 0 | 108.9 | Y343 V347 N365 | Y343-D345 HydrophobicContact CE1-CB 4.23Å; D345-V347 PolarHBondContact O-N 3.14Å; D345-V347 VanDerWaalsContact O-N 3.09Å; D345-N365 HydrophobicContact CB-CB 4.4Å; D345-N365 PolarHBondContact OD2-ND2 3.08Å | ||
| 346 | E | 89.8 | Confident | 82.1 | Confident | 82 Ų | 82 | 35 Ų | 35 | 38% | 0.383 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -53.4 | 121.7 | 171.4 | -64.1 | -174.9 | -177.7 | 0 | 0 | 111.4 | T364 N365 A633 | E346-T364 CarbonylContact O-C 3.57Å; E346-T364 VanDerWaalsContact O-CA 3.24Å; E346-T364 WeakPolarHBondContact O-CA 3.43Å; E346-N365 HydrophobicContact CB-CB 4.48Å; E346-N365 PolarHBondContact O-N 2.88Å; E346-A633 HydrophobicContact CG-CB 4.24Å |
| 347 | V | 92.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 110.2 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | N344 D345 V350 V362 T364 W617 S632 I637 | N344-V347 HydrophobicContact CB-CG2 4.08Å; D345-V347 PolarHBondContact O-N 3.14Å; D345-V347 VanDerWaalsContact O-N 3.09Å; V347-V350 HydrophobicContact CG1-CG2 3.35Å; V347-V362 HydrophobicContact CG1-CG1 3.65Å; V347-V362 HydrophobicContact CG2-CG1 4.13Å; V347-T364 HydrophobicContact CG2-CG2 4.36Å; V347-W617 WeakPolarHBondContact O-CB 3.47Å; V347-S632 PolarHBondContact N-O 2.88Å; V347-I637 HydrophobicContact CG2-CD1 4.27Å; V347-I637 HydrophobicContact CG2-CG1 4.08Å |
| 348 | L | 91.3 | Very high | 82.9 | Confident | 32 Ų | 32 | 31.1 Ų | 31.1 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -38 | -175.1 | -61.4 | 179.2 | 0 | 0 | 0 | 112.6 | A363 V389 L390 W617 | L348-A363 PolarHBondContact N-O 2.81Å; L348-V389 WeakPolarHBondContact CD1-O 3.42Å; L348-L390 HydrophobicContact CD1-CD2 3.92Å; L348-W617 WeakPolarHBondContact O-CB 3.31Å |
| 349 | D | 90.6 | Very high | 83.5 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 149.7 | 174.6 | -155.5 | -6.7 | 0 | 0 | 0 | 112.3 | K351 A363 L392 K576 | D349-K351 IonicContact OD1-NZ 3.68Å; D349-A363 HydrophobicContact CB-CB 4.41Å; D349-A363 PolarHBondContact N-O 3.12Å; D349-A363 PolarHBondContact O-N 2.95Å; D349-L392 HydrophobicContact CB-CB 4.47Å; D349-L392 PolarHBondContact OD2-N 3.19Å; D349-K576 IonicContact OD1-NZ 3.9Å; D349-K576 PolarHBondContact OD1-NZ 3.44Å; D349-K576 IonicContact OD2-NZ 3.82Å; D349-K576 PolarHBondContact OD2-NZ 3.27Å |
| 350 | V | 92 | Very high | 83.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.9 | 176.2 | -170 | 0 | 0 | 0 | 0 | 110.3 | V347 I360 V361 V362 H620 V629 | V347-V350 HydrophobicContact CG1-CG2 3.35Å; V350-I360 HydrophobicContact CG1-CB 4.46Å; V350-V361 WeakPolarHBondContact CA-O 3.37Å; V350-V362 HydrophobicContact CG1-CG2 4.09Å; V350-V362 HydrophobicContact CG2-CG1 4.39Å; V350-V362 HydrophobicContact CG2-CG2 4.4Å; V350-H620 VanDerWaalsContact O-CB 3.29Å; V350-H620 WeakPolarHBondContact O-CB 3.15Å; V350-V629 HydrophobicContact CB-CG1 3.98Å; V350-V629 HydrophobicContact CG1-CB 4.31Å; V350-V629 HydrophobicContact CG1-CG1 3.31Å |
| 351 | K | 90.1 | Very high | 84.1 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.8 | 177.5 | -60.1 | -66.4 | 173.9 | -169.5 | 0 | 112 | D349 I360 V361 L392 V394 H620 | D349-K351 IonicContact OD1-NZ 3.68Å; K351-I360 CarbonylContact O-C 3.47Å; K351-I360 VanDerWaalsContact O-CA 3.31Å; K351-I360 WeakPolarHBondContact O-CA 3.44Å; K351-V361 PolarHBondContact N-O 3.44Å; K351-V361 PolarHBondContact O-N 3.42Å; K351-L392 WeakPolarHBondContact CE-O 3.45Å; K351-L392 HydrophobicContact CG-CB 4.03Å; K351-V394 HydrophobicContact CB-CG2 3.51Å; K351-V394 HydrophobicContact CG-CG2 4.16Å; K351-H620 HydrophobicContact CD-CB 4.07Å |
| 352 | F | 89.9 | Confident | 84.5 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.3 | 174.1 | -76.6 | -67.5 | 0 | 0 | 0 | 110.2 | D357 I360 L374 V394 H620 K627 V629 | F352-D357 HydrophobicContact CB-CB 4.06Å; F352-D357 HydrophobicContact CD1-CB 3.87Å; F352-D357 HydrophobicContact CG-CB 4.07Å; F352-I360 HydrophobicContact CD1-CG2 3.51Å; F352-I360 HydrophobicContact CE1-CG2 3.69Å; F352-I360 HydrophobicContact CG-CG2 4.48Å; F352-L374 HydrophobicContact CD1-CD1 4.43Å; F352-L374 HydrophobicContact CE1-CD1 3.98Å; F352-V394 WeakPolarHBondContact O-CG2 3.36Å; F352-H620 AromaticContact CD2-CD2 3.51Å; F352-H620 PolarHBondContact N-CD2 2.87Å; F352-K627 HydrophobicContact CE2-CB 4.35Å; F352-K627 HydrophobicContact CZ-CB 3.78Å; F352-V629 HydrophobicContact CD1-CG2 4.47Å; F352-V629 HydrophobicContact CE1-CG2 3.54Å; F352-V629 HydrophobicContact CE2-CB 4.23Å; F352-V629 HydrophobicContact CE2-CG2 3.85Å; F352-V629 HydrophobicContact CZ-CB 4.05Å; F352-V629 HydrophobicContact CZ-CG2 3.19Å |
| 353 | L | 84.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 148.4 | -178.9 | -172.6 | 70.3 | 0 | 0 | 0 | 110.9 | D357 T358 H359 V361 V371 V394 G398 F401 L415 V422 | L353-D357 CarbonylContact O-C 3.51Å; L353-T358 PolarHBondContact O-N 3.39Å; L353-H359 HydrophobicContact CB-CB 4.2Å; L353-H359 PolarHBondContact N-O 2.8Å; L353-H359 PolarHBondContact O-N 3.43Å; L353-H359 VanDerWaalsContact O-O 3.05Å; L353-V361 HydrophobicContact CB-CG2 3.9Å; L353-V361 HydrophobicContact CD2-CG2 3.64Å; L353-V361 HydrophobicContact CG-CG2 4.31Å; L353-V371 HydrophobicContact CD2-CG1 4.49Å; L353-V394 HydrophobicContact CD1-CG1 3.95Å; L353-G398 VanDerWaalsContact CD1-O 3.25Å; L353-G398 WeakPolarHBondContact CD1-O 3.19Å; L353-F401 HydrophobicContact CD1-CB 4.34Å; L353-F401 HydrophobicContact CD1-CD1 3.84Å; L353-F401 HydrophobicContact CD2-CD1 3.81Å; L353-F401 HydrophobicContact CD2-CE1 3.84Å; L353-F401 HydrophobicContact CG-CD1 4.49Å; L353-L415 HydrophobicContact CD2-CB 3.95Å; L353-L415 HydrophobicContact CD2-CD2 3.81Å; L353-L415 HydrophobicContact CD2-CG 4.3Å; L353-L415 HydrophobicContact CG-CB 4.37Å; L353-L415 HydrophobicContact CG-CD2 3.76Å; L353-V422 HydrophobicContact CD2-CG2 4.45Å |
| 354 | G | 79.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 103.4 | 168.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G398 | G354-G398 PolarHBondContact N-O 3.41Å; G354-G398 VanDerWaalsContact N-O 3.1Å |
| 355 | K | 69.9 | Low | 86.1 | Confident | 153 Ų | 153 | 29.9 Ų | 29.9 | 67% | 0.665 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -31.8 | -179.6 | -69.2 | 177.4 | -177.3 | 167.3 | 0 | 112.4 | ||
| 356 | D | 69.9 | Low | 86.2 | Confident | 114 Ų | 114 | 28.1 Ų | 28.1 | 61% | 0.61 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 24.6 | 177.9 | -65.3 | -51.2 | 0 | 0 | 0 | 112.5 | T358 | D356-T358 HydrophobicContact CB-CG2 4.19Å; D356-T358 PolarHBondContact O-N 2.63Å |
| 357 | D | 76.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.059 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 51.9 | 44.6 | -177.6 | -58.1 | -30.9 | 0 | 0 | 0 | 112.1 | F352 L353 H359 L374 S622 R623 | F352-D357 HydrophobicContact CB-CB 4.06Å; F352-D357 HydrophobicContact CD1-CB 3.87Å; F352-D357 HydrophobicContact CG-CB 4.07Å; L353-D357 CarbonylContact O-C 3.51Å; D357-H359 VanDerWaalsContact C-N 3.33Å; D357-L374 WeakPolarHBondContact O-CD1 3.41Å; D357-S622 WeakPolarHBondContact OD2-CA 3.35Å; D357-S622 WeakPolarHBondContact OD2-CB 3.4Å; D357-S622 PolarHBondContact OD2-OG 3.2Å; D357-R623 PolarHBondContact OD2-N 3.19Å |
| 358 | T | 81.9 | Confident | 85.6 | Confident | 58 Ų | 58 | 25.7 Ų | 25.7 | 36% | 0.356 | 14% | 0.136 | S | C | . | . | trans | -74.5 | -25.9 | -177.4 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | L353 D356 L374 | L353-T358 PolarHBondContact O-N 3.39Å; D356-T358 HydrophobicContact CB-CG2 4.19Å; D356-T358 PolarHBondContact O-N 2.63Å; T358-L374 PolarHBondContact O-N 3.01Å | ||
| 359 | H | 86.7 | Confident | 85.5 | Confident | 23 Ų | 23 | 24.3 Ų | 24.3 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 153.5 | -178.2 | -59.4 | 77.9 | 0 | 0 | 0 | 110.5 | L353 D357 V371 F372 | L353-H359 HydrophobicContact CB-CB 4.2Å; L353-H359 PolarHBondContact N-O 2.8Å; L353-H359 PolarHBondContact O-N 3.43Å; L353-H359 VanDerWaalsContact O-O 3.05Å; D357-H359 VanDerWaalsContact C-N 3.33Å; H359-V371 HydrophobicContact CB-CG1 4.05Å; H359-F372 CarbonylContact C-O 3.56Å; H359-F372 WeakPolarHBondContact CA-O 3.49Å |
| 360 | I | 89.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.2 | 167.3 | 59.6 | 171.4 | 0 | 0 | 0 | 108.7 | I18 V350 K351 F352 V362 V371 F372 L374 V629 I637 | I18-I360 HydrophobicContact CD1-CD1 3.86Å; V350-I360 HydrophobicContact CG1-CB 4.46Å; K351-I360 CarbonylContact O-C 3.47Å; K351-I360 VanDerWaalsContact O-CA 3.31Å; K351-I360 WeakPolarHBondContact O-CA 3.44Å; F352-I360 HydrophobicContact CD1-CG2 3.51Å; F352-I360 HydrophobicContact CE1-CG2 3.69Å; F352-I360 HydrophobicContact CG-CG2 4.48Å; I360-V362 HydrophobicContact CD1-CG2 4.23Å; I360-V362 HydrophobicContact CG1-CG2 4.39Å; I360-V371 CarbonylContact O-C 3.53Å; I360-V371 VanDerWaalsContact O-CA 3.27Å; I360-V371 WeakPolarHBondContact O-CA 3.4Å; I360-F372 HydrophobicContact CD1-CB 4.04Å; I360-F372 HydrophobicContact CD1-CD2 4.22Å; I360-F372 HydrophobicContact CD1-CG 4.44Å; I360-F372 HydrophobicContact CG1-CB 3.61Å; I360-F372 HydrophobicContact CG1-CD2 4.2Å; I360-F372 HydrophobicContact CG1-CG 4.35Å; I360-F372 PolarHBondContact N-O 3.48Å; I360-F372 PolarHBondContact O-N 2.85Å; I360-L374 HydrophobicContact CD1-CD2 4.26Å; I360-L374 HydrophobicContact CG1-CD2 4.35Å; I360-L374 HydrophobicContact CG2-CD1 4.34Å; I360-L374 HydrophobicContact CG2-CD2 3.78Å; I360-L374 HydrophobicContact CG2-CG 4.15Å; I360-V629 HydrophobicContact CG2-CG2 4.28Å; I360-I637 HydrophobicContact CD1-CG2 4.21Å |
| 361 | V | 90.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.9 | 172.3 | -170.1 | 0 | 0 | 0 | 0 | 107.8 | V350 K351 L353 L369 V371 L392 F401 | V350-V361 WeakPolarHBondContact CA-O 3.37Å; K351-V361 PolarHBondContact N-O 3.44Å; K351-V361 PolarHBondContact O-N 3.42Å; L353-V361 HydrophobicContact CB-CG2 3.9Å; L353-V361 HydrophobicContact CD2-CG2 3.64Å; L353-V361 HydrophobicContact CG-CG2 4.31Å; V361-L369 HydrophobicContact CG1-CD2 4.5Å; V361-V371 HydrophobicContact CG1-CG2 4.25Å; V361-V371 HydrophobicContact CG2-CG1 4.46Å; V361-V371 HydrophobicContact CG2-CG2 4.17Å; V361-L392 HydrophobicContact CB-CD1 4.18Å; V361-L392 HydrophobicContact CG1-CD1 3.63Å; V361-L392 HydrophobicContact CG1-CD2 4.38Å; V361-F401 HydrophobicContact CG1-CD2 4.38Å; V361-F401 HydrophobicContact CG1-CE2 3.85Å; V361-F401 HydrophobicContact CG1-CZ 4Å; V361-F401 HydrophobicContact CG2-CD1 4.28Å; V361-F401 HydrophobicContact CG2-CE1 4.09Å; V361-F401 HydrophobicContact CG2-CZ 4.22Å |
| 362 | V | 89.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.4 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | V347 V350 I360 T364 K370 F372 I637 | V347-V362 HydrophobicContact CG1-CG1 3.65Å; V347-V362 HydrophobicContact CG2-CG1 4.13Å; V350-V362 HydrophobicContact CG1-CG2 4.09Å; V350-V362 HydrophobicContact CG2-CG1 4.39Å; V350-V362 HydrophobicContact CG2-CG2 4.4Å; I360-V362 HydrophobicContact CD1-CG2 4.23Å; I360-V362 HydrophobicContact CG1-CG2 4.39Å; V362-T364 HydrophobicContact CG1-CG2 3.98Å; V362-K370 HydrophobicContact CB-CB 4.29Å; V362-K370 PolarHBondContact N-O 3.25Å; V362-K370 PolarHBondContact O-N 3.2Å; V362-K370 VanDerWaalsContact O-N 3.09Å; V362-F372 HydrophobicContact CB-CD2 4.42Å; V362-F372 HydrophobicContact CB-CE2 4.14Å; V362-F372 HydrophobicContact CG2-CD2 3.66Å; V362-F372 HydrophobicContact CG2-CE2 3.74Å; V362-I637 HydrophobicContact CB-CD1 4.23Å; V362-I637 HydrophobicContact CG1-CD1 3.65Å; V362-I637 HydrophobicContact CG2-CD1 3.52Å |
| 363 | A | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L348 D349 L369 V389 L392 | L348-A363 PolarHBondContact N-O 2.81Å; D349-A363 HydrophobicContact CB-CB 4.41Å; D349-A363 PolarHBondContact N-O 3.12Å; D349-A363 PolarHBondContact O-N 2.95Å; A363-L369 HydrophobicContact CB-CD2 4.06Å; A363-V389 HydrophobicContact CB-CB 4.22Å; A363-V389 HydrophobicContact CB-CG1 4.09Å; A363-L392 HydrophobicContact CB-CD1 3.53Å; A363-L392 HydrophobicContact CB-CG 3.79Å |
| 364 | T | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 174.3 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | E346 V347 V362 S366 K370 | E346-T364 CarbonylContact O-C 3.57Å; E346-T364 VanDerWaalsContact O-CA 3.24Å; E346-T364 WeakPolarHBondContact O-CA 3.43Å; V347-T364 HydrophobicContact CG2-CG2 4.36Å; V362-T364 HydrophobicContact CG1-CG2 3.98Å; T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.08Å; T364-S366 VanDerWaalsContact O-O 3.12Å; T364-S366 PolarHBondContact OG1-N 2.91Å; T364-S366 PolarHBondContact OG1-OG 3.02Å; T364-K370 HydrophobicContact CG2-CD 4.31Å |
| 365 | N | 89.1 | Confident | 84.2 | Confident | 67 Ų | 67 | 34.7 Ų | 34.7 | 36% | 0.358 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -60.7 | -10 | 169.3 | -166.9 | 28.5 | 0 | 0 | 0 | 113.7 | D345 E346 T388 | D345-N365 HydrophobicContact CB-CB 4.4Å; D345-N365 PolarHBondContact OD2-ND2 3.08Å; E346-N365 HydrophobicContact CB-CB 4.48Å; E346-N365 PolarHBondContact O-N 2.88Å; N365-T388 WeakPolarHBondContact O-CB 3.15Å; N365-T388 WeakPolarHBondContact O-CG2 3.46Å; N365-T388 WeakPolarHBondContact OD1-CG2 3.28Å |
| 366 | S | 86.1 | Confident | 84.2 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -78.8 | 165.3 | 172 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | T364 Q368 V389 | T364-S366 PolarHBondContact O-N 2.92Å; T364-S366 VanDerWaalsContact O-N 3.08Å; T364-S366 VanDerWaalsContact O-O 3.12Å; T364-S366 PolarHBondContact OG1-N 2.91Å; T364-S366 PolarHBondContact OG1-OG 3.02Å; S366-Q368 PolarHBondContact O-N 3.05Å; S366-Q368 PolarHBondContact OG-N 2.74Å; S366-Q368 PolarHBondContact OG-O 3.4Å; S366-V389 PolarHBondContact O-N 2.72Å |
| 367 | S | 84.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 24.9 Ų | 24.9 | 22% | 0.217 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -74.2 | -1.6 | 172.5 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | H385 D387 | S367-H385 WeakPolarHBondContact CB-O 3.39Å; S367-D387 WeakPolarHBondContact CA-O 3.44Å |
| 368 | Q | 86 | Confident | 84.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -103.7 | 143.4 | -174.1 | -60.2 | 171.4 | 25.3 | 0 | 0 | 111.1 | E323 S366 I381 Y383 | E323-Q368 VanDerWaalsContact CD-NE2 3.25Å; E323-Q368 PolarHBondContact OE1-NE2 2.73Å; E323-Q368 PolarHBondContact OE2-NE2 2.99Å; E323-Q368 PolarHBondContact OE2-OE1 3.17Å; S366-Q368 PolarHBondContact O-N 3.05Å; S366-Q368 PolarHBondContact OG-N 2.74Å; S366-Q368 PolarHBondContact OG-O 3.4Å; Q368-I381 HydrophobicContact CB-CG2 3.91Å; Q368-I381 HydrophobicContact CG-CG2 4.16Å; Q368-Y383 VanDerWaalsContact CD-CE1 3.41Å; Q368-Y383 HydrophobicContact CG-CD1 3.84Å; Q368-Y383 HydrophobicContact CG-CE1 3.74Å | ||
| 369 | L | 88.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.7 | 170.9 | -74.6 | 169.5 | 0 | 0 | 0 | 110.1 | V361 A363 I381 L382 V389 L392 F401 W413 | V361-L369 HydrophobicContact CG1-CD2 4.5Å; A363-L369 HydrophobicContact CB-CD2 4.06Å; L369-I381 CarbonylContact O-C 3.52Å; L369-I381 WeakPolarHBondContact O-CA 3.43Å; L369-L382 HydrophobicContact CB-CB 4.11Å; L369-L382 HydrophobicContact CB-CD1 4.32Å; L369-L382 PolarHBondContact N-O 2.94Å; L369-L382 PolarHBondContact O-N 3.21Å; L369-V389 HydrophobicContact CD2-CB 4.2Å; L369-V389 HydrophobicContact CD2-CG1 3.83Å; L369-V389 HydrophobicContact CD2-CG2 4.27Å; L369-V389 HydrophobicContact CG-CG1 4.4Å; L369-V389 HydrophobicContact CG-CG2 4.21Å; L369-L392 HydrophobicContact CD1-CD2 4.33Å; L369-L392 HydrophobicContact CD2-CD1 4.03Å; L369-L392 HydrophobicContact CD2-CD2 3.78Å; L369-L392 HydrophobicContact CD2-CG 4.31Å; L369-F401 HydrophobicContact CD1-CE2 4.22Å; L369-W413 HydrophobicContact CD1-CZ2 4.09Å |
| 370 | K | 88.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 119.3 | -177.5 | -68 | 171.1 | 174.8 | 174.7 | 0 | 108.8 | V341 Y343 N344 V362 T364 F372 | V341-K370 HydrophobicContact CB-CD 4.45Å; V341-K370 HydrophobicContact CG1-CD 3.82Å; V341-K370 VanDerWaalsContact CG1-CE 3.47Å; V341-K370 HydrophobicContact CG2-CD 4Å; V341-K370 HydrophobicContact CG2-CG 4.28Å; Y343-K370 PolarHBondContact O-NZ 3.36Å; N344-K370 WeakPolarHBondContact OD1-CD 3.22Å; N344-K370 PolarHBondContact OD1-NZ 2.99Å; V362-K370 HydrophobicContact CB-CB 4.29Å; V362-K370 PolarHBondContact N-O 3.25Å; V362-K370 PolarHBondContact O-N 3.2Å; V362-K370 VanDerWaalsContact O-N 3.09Å; T364-K370 HydrophobicContact CG2-CD 4.31Å; K370-F372 HydrophobicContact CB-CD2 4.42Å; K370-F372 HydrophobicContact CB-CE2 3.77Å; K370-F372 HydrophobicContact CB-CZ 4.29Å |
| 371 | V | 88.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 106.2 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | L353 H359 I360 V361 C379 Q380 L382 V422 | L353-V371 HydrophobicContact CD2-CG1 4.49Å; H359-V371 HydrophobicContact CB-CG1 4.05Å; I360-V371 CarbonylContact O-C 3.53Å; I360-V371 VanDerWaalsContact O-CA 3.27Å; I360-V371 WeakPolarHBondContact O-CA 3.4Å; V361-V371 HydrophobicContact CG1-CG2 4.25Å; V361-V371 HydrophobicContact CG2-CG1 4.46Å; V361-V371 HydrophobicContact CG2-CG2 4.17Å; V371-C379 CarbonylContact O-C 3.57Å; V371-C379 VanDerWaalsContact O-CA 3.31Å; V371-C379 WeakPolarHBondContact O-CA 3.35Å; V371-Q380 HydrophobicContact CB-CB 4.38Å; V371-Q380 PolarHBondContact N-O 3.37Å; V371-Q380 PolarHBondContact O-N 2.91Å; V371-L382 HydrophobicContact CG2-CD1 3.68Å; V371-L382 HydrophobicContact CG2-CG 4.23Å; V371-V422 HydrophobicContact CG1-CG2 4.36Å; V371-V422 HydrophobicContact CG2-CG2 4.18Å |
| 372 | F | 86.8 | Confident | 83.5 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.6 | 177.5 | -60.9 | -93.6 | 0 | 0 | 0 | 111 | I18 V341 H359 I360 V362 K370 S378 C379 I637 | I18-F372 HydrophobicContact CD1-CB 4.49Å; I18-F372 HydrophobicContact CD1-CD1 4.34Å; I18-F372 HydrophobicContact CD1-CG 4.25Å; I18-F372 HydrophobicContact CG2-CE1 4.42Å; V341-F372 HydrophobicContact CB-CE1 4.13Å; V341-F372 HydrophobicContact CB-CZ 4.03Å; V341-F372 HydrophobicContact CG1-CZ 4.48Å; V341-F372 HydrophobicContact CG2-CE1 4.35Å; V341-F372 HydrophobicContact CG2-CZ 4.23Å; H359-F372 CarbonylContact C-O 3.56Å; H359-F372 WeakPolarHBondContact CA-O 3.49Å; I360-F372 HydrophobicContact CD1-CB 4.04Å; I360-F372 HydrophobicContact CD1-CD2 4.22Å; I360-F372 HydrophobicContact CD1-CG 4.44Å; I360-F372 HydrophobicContact CG1-CB 3.61Å; I360-F372 HydrophobicContact CG1-CD2 4.2Å; I360-F372 HydrophobicContact CG1-CG 4.35Å; I360-F372 PolarHBondContact N-O 3.48Å; I360-F372 PolarHBondContact O-N 2.85Å; V362-F372 HydrophobicContact CB-CD2 4.42Å; V362-F372 HydrophobicContact CB-CE2 4.14Å; V362-F372 HydrophobicContact CG2-CD2 3.66Å; V362-F372 HydrophobicContact CG2-CE2 3.74Å; K370-F372 HydrophobicContact CB-CD2 4.42Å; K370-F372 HydrophobicContact CB-CE2 3.77Å; K370-F372 HydrophobicContact CB-CZ 4.29Å; F372-S378 WeakPolarHBondContact CA-O 3.02Å; F372-C379 HydrophobicContact CD1-CB 3.81Å; F372-C379 HydrophobicContact CE1-CB 3.76Å; F372-C379 HydrophobicContact CG-CB 4.49Å; F372-C379 HydrophobicContact CZ-CB 4.41Å; F372-I637 HydrophobicContact CE2-CD1 4.33Å |
| 373 | Q | 83.2 | Confident | 83.1 | Confident | 62 Ų | 62 | 27.6 Ų | 27.6 | 29% | 0.29 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127 | 165.1 | -172.9 | 176.3 | 4.8 | 0 | 0 | 109.6 | L375 T376 N377 S378 | Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 2.86Å; Q373-T376 PolarHBondContact OE1-OG1 2.94Å; Q373-N377 WeakPolarHBondContact O-CA 3.3Å; Q373-N377 PolarHBondContact O-N 3Å; Q373-S378 PolarHBondContact N-O 3.26Å; Q373-S378 PolarHBondContact OE1-OG 2.86Å |
| 374 | L | 77.6 | Confident | 82.5 | Confident | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -23.4 | -171.7 | -70.9 | 174.3 | 0 | 0 | 0 | 114.9 | F352 D357 T358 I360 V639 | F352-L374 HydrophobicContact CD1-CD1 4.43Å; F352-L374 HydrophobicContact CE1-CD1 3.98Å; D357-L374 WeakPolarHBondContact O-CD1 3.41Å; T358-L374 PolarHBondContact O-N 3.01Å; I360-L374 HydrophobicContact CD1-CD2 4.26Å; I360-L374 HydrophobicContact CG1-CD2 4.35Å; I360-L374 HydrophobicContact CG2-CD1 4.34Å; I360-L374 HydrophobicContact CG2-CD2 3.78Å; I360-L374 HydrophobicContact CG2-CG 4.15Å; L374-V639 HydrophobicContact CD2-CG2 3.8Å |
| 375 | L | 75.6 | Confident | 82.3 | Confident | 149 Ų | 149 | 29 Ų | 29 | 78% | 0.78 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -41.2 | -177.4 | -69.6 | 172.8 | 0 | 0 | 0 | 112.3 | Q373 | Q373-L375 VanDerWaalsContact C-N 3.3Å; Q373-L375 PolarHBondContact O-N 2.86Å |
| 376 | T | 69.3 | Low | 82.1 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 28% | 0.282 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -8.4 | -170.9 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | T51 Q373 S378 | T51-T376 CarbonylContact C-O 3.58Å; Q373-T376 PolarHBondContact OE1-OG1 2.94Å; T376-S378 PolarHBondContact O-N 2.81Å; T376-S378 PolarHBondContact OG1-OG 2.84Å |
| 377 | N | 73.8 | Confident | 82.2 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.08 | 19% | 0.185 | C | C | . | . | trans | 49.6 | 18 | -166.8 | -73.2 | -14.8 | 0 | 0 | 0 | 113.6 | Q373 C379 | Q373-N377 WeakPolarHBondContact O-CA 3.3Å; Q373-N377 PolarHBondContact O-N 3Å; N377-C379 PolarHBondContact O-N 2.89Å | ||
| 378 | S | 77.2 | Confident | 82.4 | Confident | 23 Ų | 23 | 32.8 Ų | 32.8 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | trans | -69.4 | 126.3 | 176 | 55.6 | 0 | 0 | 0 | 0 | 108.4 | F372 Q373 T376 | F372-S378 WeakPolarHBondContact CA-O 3.02Å; Q373-S378 PolarHBondContact N-O 3.26Å; Q373-S378 PolarHBondContact OE1-OG 2.86Å; T376-S378 PolarHBondContact O-N 2.81Å; T376-S378 PolarHBondContact OG1-OG 2.84Å | ||
| 379 | C | 79.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.9 | 176.4 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | Q339 V341 V371 F372 N377 | Q339-C379 WeakPolarHBondContact CB-O 3.3Å; Q339-C379 WeakPolarHBondContact O-CB 3.25Å; Q339-C379 PolarHBondContact O-N 2.89Å; V341-C379 HydrophobicContact CG2-CB 3.66Å; V341-C379 WeakPolarHBondContact CG2-SG 3.18Å; V371-C379 CarbonylContact O-C 3.57Å; V371-C379 VanDerWaalsContact O-CA 3.31Å; V371-C379 WeakPolarHBondContact O-CA 3.35Å; F372-C379 HydrophobicContact CD1-CB 3.81Å; F372-C379 HydrophobicContact CE1-CB 3.76Å; F372-C379 HydrophobicContact CG-CB 4.49Å; F372-C379 HydrophobicContact CZ-CB 4.41Å; N377-C379 PolarHBondContact O-N 2.89Å |
| 380 | Q | 81.7 | Confident | 82.8 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.5 | 158.7 | -173.3 | -174.6 | -1.8 | 0 | 0 | 107.8 | V371 L382 G420 V422 | V371-Q380 HydrophobicContact CB-CB 4.38Å; V371-Q380 PolarHBondContact N-O 3.37Å; V371-Q380 PolarHBondContact O-N 2.91Å; Q380-L382 HydrophobicContact CG-CD2 4.04Å; Q380-G420 PolarHBondContact OE1-O 3.08Å; Q380-V422 PolarHBondContact NE2-O 2.93Å |
| 381 | I | 83.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.7 | 175.1 | -58.9 | 170.4 | 0 | 0 | 0 | 108.9 | N325 V341 Q368 L369 Y383 | N325-I381 HydrophobicContact CB-CD1 4.07Å; V341-I381 HydrophobicContact CG2-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CG1 4.28Å; Q368-I381 HydrophobicContact CB-CG2 3.91Å; Q368-I381 HydrophobicContact CG-CG2 4.16Å; L369-I381 CarbonylContact O-C 3.52Å; L369-I381 WeakPolarHBondContact O-CA 3.43Å; I381-Y383 HydrophobicContact CB-CE2 4.21Å; I381-Y383 HydrophobicContact CG2-CD2 4.24Å; I381-Y383 HydrophobicContact CG2-CE1 4.32Å; I381-Y383 HydrophobicContact CG2-CE2 3.62Å |
| 382 | L | 84.2 | Confident | 83 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 178.1 | -50.1 | 173.2 | 0 | 0 | 0 | 109.7 | L369 V371 Q380 F401 W413 V422 | L369-L382 HydrophobicContact CB-CB 4.11Å; L369-L382 HydrophobicContact CB-CD1 4.32Å; L369-L382 PolarHBondContact N-O 2.94Å; L369-L382 PolarHBondContact O-N 3.21Å; V371-L382 HydrophobicContact CG2-CD1 3.68Å; V371-L382 HydrophobicContact CG2-CG 4.23Å; Q380-L382 HydrophobicContact CG-CD2 4.04Å; L382-F401 HydrophobicContact CD1-CZ 3.98Å; L382-W413 HydrophobicContact CB-CE3 4.4Å; L382-W413 HydrophobicContact CB-CH2 4.05Å; L382-W413 HydrophobicContact CB-CZ3 3.85Å; L382-W413 HydrophobicContact CD1-CD2 4.29Å; L382-W413 HydrophobicContact CD1-CE3 3.93Å; L382-W413 HydrophobicContact CD1-CZ3 4.22Å; L382-W413 HydrophobicContact CG-CZ3 4.46Å; L382-V422 HydrophobicContact CD1-CB 3.79Å; L382-V422 HydrophobicContact CD1-CG1 3.48Å; L382-V422 VanDerWaalsContact CD1-CG1 3.48Å; L382-V422 HydrophobicContact CD1-CG2 4.49Å; L382-V422 HydrophobicContact CD2-CB 3.82Å; L382-V422 HydrophobicContact CD2-CG1 4.24Å; L382-V422 HydrophobicContact CG-CB 4.42Å |
| 383 | Y | 81.8 | Confident | 83.1 | Confident | 54 Ų | 54 | 36.4 Ų | 36.4 | 21% | 0.212 | 20% | 0.201 | C | C | . | . | trans | -107.1 | 133.2 | 177.5 | -61.3 | -94.2 | 0 | 0 | 0 | 109 | R303 Q368 I381 | R303-Y383 HydrophobicContact CG-CE1 4.04Å; R303-Y383 VanDerWaalsContact NH2-CB 3.27Å; R303-Y383 VanDerWaalsContact NH2-CD1 3.32Å; R303-Y383 VanDerWaalsContact NH2-CD2 3.3Å; Q368-Y383 VanDerWaalsContact CD-CE1 3.41Å; Q368-Y383 HydrophobicContact CG-CD1 3.84Å; Q368-Y383 HydrophobicContact CG-CE1 3.74Å; I381-Y383 HydrophobicContact CB-CE2 4.21Å; I381-Y383 HydrophobicContact CG2-CD2 4.24Å; I381-Y383 HydrophobicContact CG2-CE1 4.32Å; I381-Y383 HydrophobicContact CG2-CE2 3.62Å | ||
| 384 | G | 78.9 | Confident | 83.4 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | trans | -176.6 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R411 | G384-R411 VanDerWaalsContact C-NE 3.27Å; G384-R411 PolarHBondContact O-NE 3.01Å; G384-R411 VanDerWaalsContact O-NE 3.1Å; G384-R411 PolarHBondContact O-NH2 3Å | ||
| 385 | H | 84.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 32.8 Ų | 32.8 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | trans | -74.3 | 152 | 174.1 | -67.3 | -69.5 | 0 | 0 | 0 | 110.8 | S367 V389 S403 A405 D407 S409 | S367-H385 WeakPolarHBondContact CB-O 3.39Å; H385-V389 HydrophobicContact CB-CG2 4.02Å; H385-S403 PolarHBondContact NE2-OG 3.23Å; H385-A405 HydrophobicContact CB-CB 3.9Å; H385-A405 VanDerWaalsContact ND1-CB 3.29Å; H385-A405 WeakPolarHBondContact ND1-CB 3.38Å; H385-D407 WeakPolarHBondContact CA-OD2 3.38Å; H385-D407 WeakPolarHBondContact CB-OD2 3.49Å; H385-D407 IonicContact CG-OD2 3.45Å; H385-D407 IonicContact ND1-OD1 3.4Å; H385-D407 IonicContact ND1-OD2 2.78Å; H385-D407 PolarHBondContact ND1-OD2 3Å; H385-S409 PolarHBondContact CE1-OG 3.44Å; H385-S409 VanDerWaalsContact CE1-OG 3.27Å; H385-S409 PolarHBondContact ND1-OG 2.82Å | ||
| 386 | T | 84.8 | Confident | 83.6 | Confident | 118 Ų | 118 | 31.6 Ų | 31.6 | 72% | 0.724 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -97.7 | -21.5 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | D407 | T386-D407 PolarHBondContact N-OD2 3.21Å; T386-D407 WeakPolarHBondContact OG1-CB 3.33Å; T386-D407 PolarHBondContact OG1-OD2 3.08Å |
| 387 | D | 87.6 | Confident | 83.6 | Confident | 59 Ų | 59 | 36.3 Ų | 36.3 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -130.7 | 176.3 | -178.3 | -159.3 | -0.6 | 0 | 0 | 0 | 110.2 | S367 V389 K406 D407 | S367-D387 WeakPolarHBondContact CA-O 3.44Å; D387-V389 PolarHBondContact O-N 2.64Å; D387-K406 HydrophobicContact CB-CB 4.18Å; D387-K406 WeakPolarHBondContact OD2-CB 3.49Å; D387-K406 WeakPolarHBondContact OD2-CD 3.4Å; D387-K406 WeakPolarHBondContact OD2-CG 3.29Å; D387-D407 HydrophobicContact CB-CB 3.8Å |
| 388 | T | 89.4 | Confident | 83.5 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | trans | -50.7 | 131.6 | -173.9 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | N365 A405 K406 | N365-T388 WeakPolarHBondContact O-CB 3.15Å; N365-T388 WeakPolarHBondContact O-CG2 3.46Å; N365-T388 WeakPolarHBondContact OD1-CG2 3.28Å; T388-A405 VanDerWaalsContact O-CA 3.29Å; T388-A405 WeakPolarHBondContact O-CA 3.39Å; T388-A405 WeakPolarHBondContact O-CB 3.45Å; T388-K406 PolarHBondContact O-N 2.69Å; T388-K406 WeakPolarHBondContact OG1-CB 3Å | ||
| 389 | V | 91.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116.5 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | L348 A363 S366 L369 H385 D387 C404 A405 | L348-V389 WeakPolarHBondContact CD1-O 3.42Å; A363-V389 HydrophobicContact CB-CB 4.22Å; A363-V389 HydrophobicContact CB-CG1 4.09Å; S366-V389 PolarHBondContact O-N 2.72Å; L369-V389 HydrophobicContact CD2-CB 4.2Å; L369-V389 HydrophobicContact CD2-CG1 3.83Å; L369-V389 HydrophobicContact CD2-CG2 4.27Å; L369-V389 HydrophobicContact CG-CG1 4.4Å; L369-V389 HydrophobicContact CG-CG2 4.21Å; H385-V389 HydrophobicContact CB-CG2 4.02Å; D387-V389 PolarHBondContact O-N 2.64Å; V389-C404 WeakPolarHBondContact CG1-O 3.16Å; V389-A405 HydrophobicContact CG2-CB 4.35Å |
| 390 | L | 90.3 | Very high | 84 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -48.4 | -170.6 | -63.1 | 179 | 0 | 0 | 0 | 112.8 | L348 C404 | L348-L390 HydrophobicContact CD1-CD2 3.92Å; L390-C404 PolarHBondContact N-O 3.2Å |
| 391 | T | 89.1 | Confident | 84.4 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.5 | -173.6 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | C404 G436 S437 I438 | T391-C404 PolarHBondContact N-O 2.87Å; T391-C404 PolarHBondContact O-N 2.9Å; T391-C404 VanDerWaalsContact O-N 3.09Å; T391-G436 WeakPolarHBondContact CG2-O 3.38Å; T391-G436 PolarHBondContact OG1-O 3.14Å; T391-S437 WeakPolarHBondContact OG1-CA 3.38Å; T391-I438 PolarHBondContact OG1-N 2.74Å |
| 392 | L | 91.9 | Very high | 84.7 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140 | -179.6 | -69.9 | 173.4 | 0 | 0 | 0 | 110.2 | D349 K351 V361 A363 L369 F401 S403 | D349-L392 HydrophobicContact CB-CB 4.47Å; D349-L392 PolarHBondContact OD2-N 3.19Å; K351-L392 WeakPolarHBondContact CE-O 3.45Å; K351-L392 HydrophobicContact CG-CB 4.03Å; V361-L392 HydrophobicContact CB-CD1 4.18Å; V361-L392 HydrophobicContact CG1-CD1 3.63Å; V361-L392 HydrophobicContact CG1-CD2 4.38Å; A363-L392 HydrophobicContact CB-CD1 3.53Å; A363-L392 HydrophobicContact CB-CG 3.79Å; L369-L392 HydrophobicContact CD1-CD2 4.33Å; L369-L392 HydrophobicContact CD2-CD1 4.03Å; L369-L392 HydrophobicContact CD2-CD2 3.78Å; L369-L392 HydrophobicContact CD2-CG 4.31Å; L392-F401 HydrophobicContact CD2-CD2 4.27Å; L392-F401 HydrophobicContact CD2-CE2 4.32Å; L392-S403 VanDerWaalsContact CD2-CB 3.49Å |
| 393 | D | 90.1 | Very high | 85.1 | Confident | 19 Ų | 19 | 33.6 Ų | 33.6 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.8 | 166.2 | -163.9 | 25.2 | 0 | 0 | 0 | 112.6 | F401 A402 I438 C440 R442 | D393-F401 CarbonylContact O-C 3.57Å; D393-F401 WeakPolarHBondContact O-CA 3.27Å; D393-F401 WeakPolarHBondContact O-CB 3.43Å; D393-A402 PolarHBondContact N-O 2.76Å; D393-A402 VanDerWaalsContact N-O 3.07Å; D393-A402 PolarHBondContact O-N 2.86Å; D393-I438 HydrophobicContact CB-CG2 3.9Å; D393-C440 HydrophobicContact CB-CB 4.3Å; D393-C440 PolarHBondContact O-SG 3.17Å; D393-C440 VanDerWaalsContact O-SG 3.4Å; D393-C440 WeakPolarHBondContact OD2-CB 3.28Å; D393-C440 PolarHBondContact OD2-N 2.92Å; D393-R442 IonicContact OD1-NH1 3.66Å |
| 394 | V | 88.1 | Confident | 85.6 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.2 | -171.3 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | K351 F352 L353 F401 | K351-V394 HydrophobicContact CB-CG2 3.51Å; K351-V394 HydrophobicContact CG-CG2 4.16Å; F352-V394 WeakPolarHBondContact O-CG2 3.36Å; L353-V394 HydrophobicContact CD1-CG1 3.95Å; V394-F401 HydrophobicContact CB-CB 4.29Å; V394-F401 HydrophobicContact CG1-CB 4.45Å; V394-F401 HydrophobicContact CG2-CB 3.79Å |
| 395 | F | 85.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | trans | -69.9 | 148.9 | 175.4 | -71.4 | -90.8 | 0 | 0 | 0 | 111 | K397 G398 L400 V412 C440 S441 V448 L462 R623 | F395-K397 PolarHBondContact O-N 3.08Å; F395-G398 WeakPolarHBondContact O-CA 3.4Å; F395-G398 PolarHBondContact O-N 3.28Å; F395-L400 HydrophobicContact CB-CB 4.33Å; F395-L400 HydrophobicContact CD2-CB 3.43Å; F395-L400 VanDerWaalsContact CD2-CB 3.43Å; F395-L400 WeakPolarHBondContact CD2-O 3.15Å; F395-L400 HydrophobicContact CE2-CB 3.99Å; F395-L400 HydrophobicContact CG-CB 4.08Å; F395-L400 PolarHBondContact N-O 2.85Å; F395-V412 HydrophobicContact CE2-CG1 4.49Å; F395-C440 HydrophobicContact CD1-CB 4.02Å; F395-C440 HydrophobicContact CD2-CB 4.26Å; F395-C440 HydrophobicContact CE1-CB 3.91Å; F395-C440 HydrophobicContact CE2-CB 4.18Å; F395-C440 HydrophobicContact CG-CB 4.2Å; F395-C440 HydrophobicContact CZ-CB 4Å; F395-S441 WeakPolarHBondContact CD1-O 3.21Å; F395-V448 HydrophobicContact CE2-CG2 4.4Å; F395-V448 HydrophobicContact CZ-CG2 3.66Å; F395-L462 HydrophobicContact CE1-CD1 4.07Å; F395-L462 HydrophobicContact CE2-CD1 4.21Å; F395-L462 HydrophobicContact CZ-CD1 3.42Å; F395-L462 VanDerWaalsContact CZ-CD1 3.42Å; F395-R623 PolarHBondContact O-NH2 3.28Å; F395-R623 VanDerWaalsContact O-NH2 3.1Å | ||
| 396 | K | 72.8 | Confident | 86.5 | Confident | 124 Ų | 124 | 34.6 Ų | 34.6 | 54% | 0.539 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.9 | 180 | -167 | 177 | -179.2 | 178.6 | 0 | 114.4 | R442 R623 | K396-R442 WeakPolarHBondContact CB-O 3.24Å; K396-R442 WeakPolarHBondContact CD-O 3.48Å; K396-R623 PolarHBondContact O-NE 2.78Å; K396-R623 PolarHBondContact O-NH1 2.81Å; K396-R623 PolarHBondContact O-NH2 2.8Å |
| 397 | K | 68.3 | Low | 86.6 | Confident | 146 Ų | 146 | 30.6 Ų | 30.6 | 64% | 0.635 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.8 | 172.6 | -69.3 | -175.9 | 179.1 | 177.7 | 0 | 113.3 | F395 S399 | F395-K397 PolarHBondContact O-N 3.08Å; K397-S399 PolarHBondContact O-N 3.42Å |
| 398 | G | 71.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 75.5 | 4.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L353 G354 F395 | L353-G398 VanDerWaalsContact CD1-O 3.25Å; L353-G398 WeakPolarHBondContact CD1-O 3.19Å; G354-G398 PolarHBondContact N-O 3.41Å; G354-G398 VanDerWaalsContact N-O 3.1Å; F395-G398 WeakPolarHBondContact O-CA 3.4Å; F395-G398 PolarHBondContact O-N 3.28Å |
| 399 | S | 80 | Confident | 86.7 | Confident | 33 Ų | 33 | 33.3 Ų | 33.3 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -94.3 | -21.4 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | K397 Q414 L415 | K397-S399 PolarHBondContact O-N 3.42Å; S399-Q414 CarbonylContact O-C 3.57Å; S399-Q414 WeakPolarHBondContact O-CA 3.5Å; S399-L415 PolarHBondContact O-N 2.86Å; S399-L415 PolarHBondContact OG-O 3.23Å; S399-L415 VanDerWaalsContact OG-O 3.12Å |
| 400 | L | 87 | Confident | 86.6 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147 | 178.7 | -67.7 | 163.5 | 0 | 0 | 0 | 109.4 | F395 V412 W413 Q414 F466 | F395-L400 HydrophobicContact CB-CB 4.33Å; F395-L400 HydrophobicContact CD2-CB 3.43Å; F395-L400 VanDerWaalsContact CD2-CB 3.43Å; F395-L400 WeakPolarHBondContact CD2-O 3.15Å; F395-L400 HydrophobicContact CE2-CB 3.99Å; F395-L400 HydrophobicContact CG-CB 4.08Å; F395-L400 PolarHBondContact N-O 2.85Å; L400-V412 HydrophobicContact CD2-CG1 4.26Å; L400-W413 WeakPolarHBondContact CA-O 3.3Å; L400-Q414 HydrophobicContact CD2-CB 3.58Å; L400-Q414 HydrophobicContact CD2-CG 3.79Å; L400-F466 HydrophobicContact CD1-CE2 3.94Å; L400-F466 HydrophobicContact CD2-CD2 4.28Å; L400-F466 HydrophobicContact CD2-CE2 3.99Å |
| 401 | F | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 162.3 | 165.1 | 71.7 | -90.2 | 0 | 0 | 0 | 109.7 | L353 V361 L369 L382 L392 D393 V394 W413 V422 | L353-F401 HydrophobicContact CD1-CB 4.34Å; L353-F401 HydrophobicContact CD1-CD1 3.84Å; L353-F401 HydrophobicContact CD2-CD1 3.81Å; L353-F401 HydrophobicContact CD2-CE1 3.84Å; L353-F401 HydrophobicContact CG-CD1 4.49Å; V361-F401 HydrophobicContact CG1-CD2 4.38Å; V361-F401 HydrophobicContact CG1-CE2 3.85Å; V361-F401 HydrophobicContact CG1-CZ 4Å; V361-F401 HydrophobicContact CG2-CD1 4.28Å; V361-F401 HydrophobicContact CG2-CE1 4.09Å; V361-F401 HydrophobicContact CG2-CZ 4.22Å; L369-F401 HydrophobicContact CD1-CE2 4.22Å; L382-F401 HydrophobicContact CD1-CZ 3.98Å; L392-F401 HydrophobicContact CD2-CD2 4.27Å; L392-F401 HydrophobicContact CD2-CE2 4.32Å; D393-F401 CarbonylContact O-C 3.57Å; D393-F401 WeakPolarHBondContact O-CA 3.27Å; D393-F401 WeakPolarHBondContact O-CB 3.43Å; V394-F401 HydrophobicContact CB-CB 4.29Å; V394-F401 HydrophobicContact CG1-CB 4.45Å; V394-F401 HydrophobicContact CG2-CB 3.79Å; F401-W413 HydrophobicContact CD1-CB 3.87Å; F401-W413 HydrophobicContact CD2-CB 4.14Å; F401-W413 AromaticContact CD2-CD1 3.86Å; F401-W413 HydrophobicContact CD2-CG 4.29Å; F401-W413 HydrophobicContact CE1-CB 3.42Å; F401-W413 VanDerWaalsContact CE1-CB 3.42Å; F401-W413 HydrophobicContact CE1-CG 4.16Å; F401-W413 HydrophobicContact CE2-CB 3.69Å; F401-W413 AromaticContact CE2-CD1 3.32Å; F401-W413 AromaticContact CE2-CG 3.59Å; F401-W413 HydrophobicContact CE2-CG 3.59Å; F401-W413 HydrophobicContact CG-CB 4.22Å; F401-W413 HydrophobicContact CZ-CB 3.32Å; F401-W413 AromaticContact CZ-CD1 3.78Å; F401-W413 HydrophobicContact CZ-CD2 4.32Å; F401-W413 AromaticContact CZ-CG 3.53Å; F401-W413 HydrophobicContact CZ-CG 3.53Å; F401-W413 PolarHBondContact N-O 2.79Å; F401-W413 PolarHBondContact O-N 3.43Å; F401-V422 HydrophobicContact CE1-CG1 3.65Å; F401-V422 HydrophobicContact CE1-CG2 4.41Å; F401-V422 HydrophobicContact CZ-CG1 3.95Å |
| 402 | A | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D393 R411 V412 I438 V448 | D393-A402 PolarHBondContact N-O 2.76Å; D393-A402 VanDerWaalsContact N-O 3.07Å; D393-A402 PolarHBondContact O-N 2.86Å; A402-R411 CarbonylContact C-O 3.58Å; A402-R411 VanDerWaalsContact CA-O 3.24Å; A402-R411 WeakPolarHBondContact CA-O 3.04Å; A402-V412 HydrophobicContact CB-CG2 4.07Å; A402-I438 HydrophobicContact CB-CD1 3.29Å; A402-I438 HydrophobicContact CB-CG1 4.4Å; A402-V448 HydrophobicContact CB-CG1 4.46Å; A402-V448 HydrophobicContact CB-CG2 4.32Å |
| 403 | S | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.7 | -178 | 61 | 0 | 0 | 0 | 0 | 111.4 | H385 L392 V410 R411 W413 | H385-S403 PolarHBondContact NE2-OG 3.23Å; L392-S403 VanDerWaalsContact CD2-CB 3.49Å; S403-V410 WeakPolarHBondContact O-CA 3.42Å; S403-R411 PolarHBondContact N-O 2.85Å; S403-R411 PolarHBondContact O-N 2.78Å; S403-W413 PolarHBondContact OG-NE1 2.83Å |
| 404 | C | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.9 | 175.4 | -79.7 | 0 | 0 | 0 | 0 | 110.6 | V389 L390 T391 V435 I438 | V389-C404 WeakPolarHBondContact CG1-O 3.16Å; L390-C404 PolarHBondContact N-O 3.2Å; T391-C404 PolarHBondContact N-O 2.87Å; T391-C404 PolarHBondContact O-N 2.9Å; T391-C404 VanDerWaalsContact O-N 3.09Å; C404-V435 HydrophobicContact CB-CB 4Å; C404-V435 HydrophobicContact CB-CG1 3.85Å; C404-V435 WeakPolarHBondContact SG-CG1 3.48Å; C404-I438 HydrophobicContact CB-CB 4.45Å; C404-I438 VanDerWaalsContact SG-CD1 3.59Å |
| 405 | A | 91.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 168 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H385 T388 V389 D407 R408 S409 V435 | H385-A405 HydrophobicContact CB-CB 3.9Å; H385-A405 VanDerWaalsContact ND1-CB 3.29Å; H385-A405 WeakPolarHBondContact ND1-CB 3.38Å; T388-A405 VanDerWaalsContact O-CA 3.29Å; T388-A405 WeakPolarHBondContact O-CA 3.39Å; T388-A405 WeakPolarHBondContact O-CB 3.45Å; V389-A405 HydrophobicContact CG2-CB 4.35Å; A405-D407 WeakPolarHBondContact CB-OD1 3.39Å; A405-D407 PolarHBondContact O-N 2.81Å; A405-R408 PolarHBondContact O-N 2.85Å; A405-S409 PolarHBondContact N-O 3.4Å; A405-V435 PolarHBondContact O-N 3.16Å |
| 406 | K | 90.8 | Very high | 85.9 | Confident | 105 Ų | 105 | 36 Ų | 36 | 46% | 0.457 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.6 | 178.7 | -169.7 | 177.6 | 177.9 | -174 | 0 | 113 | D387 T388 R408 A434 | D387-K406 HydrophobicContact CB-CB 4.18Å; D387-K406 WeakPolarHBondContact OD2-CB 3.49Å; D387-K406 WeakPolarHBondContact OD2-CD 3.4Å; D387-K406 WeakPolarHBondContact OD2-CG 3.29Å; T388-K406 PolarHBondContact O-N 2.69Å; T388-K406 WeakPolarHBondContact OG1-CB 3Å; K406-R408 PolarHBondContact O-N 2.7Å; K406-A434 HydrophobicContact CB-CB 4.23Å; K406-A434 HydrophobicContact CG-CB 3.73Å |
| 407 | D | 87.6 | Confident | 85.7 | Confident | 34 Ų | 34 | 33.5 Ų | 33.5 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 8.7 | 172.5 | 67.8 | 10.4 | 0 | 0 | 0 | 114.6 | H385 T386 D387 A405 S409 | H385-D407 WeakPolarHBondContact CA-OD2 3.38Å; H385-D407 WeakPolarHBondContact CB-OD2 3.49Å; H385-D407 IonicContact CG-OD2 3.45Å; H385-D407 IonicContact ND1-OD1 3.4Å; H385-D407 IonicContact ND1-OD2 2.78Å; H385-D407 PolarHBondContact ND1-OD2 3Å; T386-D407 PolarHBondContact N-OD2 3.21Å; T386-D407 WeakPolarHBondContact OG1-CB 3.33Å; T386-D407 PolarHBondContact OG1-OD2 3.08Å; D387-D407 HydrophobicContact CB-CB 3.8Å; A405-D407 WeakPolarHBondContact CB-OD1 3.39Å; A405-D407 PolarHBondContact O-N 2.81Å; D407-S409 PolarHBondContact O-N 3.22Å; D407-S409 WeakPolarHBondContact OD1-CA 3.47Å; D407-S409 WeakPolarHBondContact OD1-CB 3.48Å; D407-S409 PolarHBondContact OD1-N 3.48Å; D407-S409 PolarHBondContact OD1-OG 3.23Å; D407-S409 PolarHBondContact OD2-OG 3.36Å; D407-S409 VanDerWaalsContact OD2-OG 3.12Å |
| 408 | R | 89.6 | Confident | 85.7 | Confident | 129 Ų | 129 | 34 Ų | 34 | 49% | 0.487 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 69 | 5.9 | 179.3 | -41.5 | 174.9 | -176.1 | 167.6 | -4.9 | 113.6 | A405 K406 T432 N433 | A405-R408 PolarHBondContact O-N 2.85Å; K406-R408 PolarHBondContact O-N 2.7Å; R408-T432 VanDerWaalsContact CD-O 3.31Å; R408-T432 WeakPolarHBondContact CD-O 3.22Å; R408-T432 PolarHBondContact NE-O 3.31Å; R408-T432 PolarHBondContact NH1-O 3.06Å; R408-N433 WeakPolarHBondContact CG-O 3.1Å |
| 409 | S | 88.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -94.9 | 148 | -179.3 | 79.3 | 0 | 0 | 0 | 0 | 112.1 | H385 A405 D407 G428 | H385-S409 PolarHBondContact CE1-OG 3.44Å; H385-S409 VanDerWaalsContact CE1-OG 3.27Å; H385-S409 PolarHBondContact ND1-OG 2.82Å; A405-S409 PolarHBondContact N-O 3.4Å; D407-S409 PolarHBondContact O-N 3.22Å; D407-S409 WeakPolarHBondContact OD1-CA 3.47Å; D407-S409 WeakPolarHBondContact OD1-CB 3.48Å; D407-S409 PolarHBondContact OD1-N 3.48Å; D407-S409 PolarHBondContact OD1-OG 3.23Å; D407-S409 PolarHBondContact OD2-OG 3.36Å; D407-S409 VanDerWaalsContact OD2-OG 3.12Å; S409-G428 WeakPolarHBondContact CA-O 3.4Å | ||
| 410 | V | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.7 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 105.8 | S403 Q427 G428 V435 I438 T450 W460 | S403-V410 WeakPolarHBondContact O-CA 3.42Å; V410-Q427 CarbonylContact O-C 3.59Å; V410-Q427 WeakPolarHBondContact O-CA 3.46Å; V410-G428 PolarHBondContact N-O 3.01Å; V410-G428 PolarHBondContact O-N 2.94Å; V410-V435 HydrophobicContact CG2-CG1 4.48Å; V410-V435 HydrophobicContact CG2-CG2 4.29Å; V410-I438 HydrophobicContact CG1-CD1 4.12Å; V410-T450 HydrophobicContact CG1-CG2 3.98Å; V410-T450 HydrophobicContact CG2-CG2 3.78Å; V410-W460 HydrophobicContact CG2-CZ2 4.02Å |
| 411 | R | 90.1 | Very high | 84.3 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.4 | 178.8 | -69.3 | 179.5 | 176.9 | -100.3 | -1.1 | 110.4 | G384 A402 S403 W413 C424 A426 Q427 | G384-R411 VanDerWaalsContact C-NE 3.27Å; G384-R411 PolarHBondContact O-NE 3.01Å; G384-R411 VanDerWaalsContact O-NE 3.1Å; G384-R411 PolarHBondContact O-NH2 3Å; A402-R411 CarbonylContact C-O 3.58Å; A402-R411 VanDerWaalsContact CA-O 3.24Å; A402-R411 WeakPolarHBondContact CA-O 3.04Å; S403-R411 PolarHBondContact N-O 2.85Å; S403-R411 PolarHBondContact O-N 2.78Å; R411-W413 HydrophobicContact CB-CZ2 4.21Å; R411-C424 PolarHBondContact NH1-SG 3.31Å; R411-A426 CarbonylContact C-O 3.54Å; R411-A426 WeakPolarHBondContact CA-O 3.48Å; R411-Q427 HydrophobicContact CG-CB 4.4Å; R411-Q427 HydrophobicContact CG-CG 4.19Å; R411-Q427 VanDerWaalsContact NH2-CD 3.33Å; R411-Q427 VanDerWaalsContact NH2-OE1 3.13Å |
| 412 | V | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.3 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | F395 L400 A402 V425 A426 V448 L462 L474 | F395-V412 HydrophobicContact CE2-CG1 4.49Å; L400-V412 HydrophobicContact CD2-CG1 4.26Å; A402-V412 HydrophobicContact CB-CG2 4.07Å; V412-V425 PolarHBondContact O-N 2.95Å; V412-A426 HydrophobicContact CB-CB 4.07Å; V412-A426 HydrophobicContact CG2-CB 4.36Å; V412-A426 PolarHBondContact N-O 3.16Å; V412-A426 PolarHBondContact O-N 3.41Å; V412-V448 HydrophobicContact CG2-CG2 4.42Å; V412-L462 HydrophobicContact CG2-CD2 3.93Å; V412-L474 HydrophobicContact CG2-CD1 4.1Å |
| 413 | W | 89.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.2 | -174.6 | -55.9 | 88.5 | 0 | 0 | 0 | 109.7 | L369 L382 L400 F401 S403 R411 V422 R423 C424 | L369-W413 HydrophobicContact CD1-CZ2 4.09Å; L382-W413 HydrophobicContact CB-CE3 4.4Å; L382-W413 HydrophobicContact CB-CH2 4.05Å; L382-W413 HydrophobicContact CB-CZ3 3.85Å; L382-W413 HydrophobicContact CD1-CD2 4.29Å; L382-W413 HydrophobicContact CD1-CE3 3.93Å; L382-W413 HydrophobicContact CD1-CZ3 4.22Å; L382-W413 HydrophobicContact CG-CZ3 4.46Å; L400-W413 WeakPolarHBondContact CA-O 3.3Å; F401-W413 HydrophobicContact CD1-CB 3.87Å; F401-W413 HydrophobicContact CD2-CB 4.14Å; F401-W413 AromaticContact CD2-CD1 3.86Å; F401-W413 HydrophobicContact CD2-CG 4.29Å; F401-W413 HydrophobicContact CE1-CB 3.42Å; F401-W413 VanDerWaalsContact CE1-CB 3.42Å; F401-W413 HydrophobicContact CE1-CG 4.16Å; F401-W413 HydrophobicContact CE2-CB 3.69Å; F401-W413 AromaticContact CE2-CD1 3.32Å; F401-W413 AromaticContact CE2-CG 3.59Å; F401-W413 HydrophobicContact CE2-CG 3.59Å; F401-W413 HydrophobicContact CG-CB 4.22Å; F401-W413 HydrophobicContact CZ-CB 3.32Å; F401-W413 AromaticContact CZ-CD1 3.78Å; F401-W413 HydrophobicContact CZ-CD2 4.32Å; F401-W413 AromaticContact CZ-CG 3.53Å; F401-W413 HydrophobicContact CZ-CG 3.53Å; F401-W413 PolarHBondContact N-O 2.79Å; F401-W413 PolarHBondContact O-N 3.43Å; S403-W413 PolarHBondContact OG-NE1 2.83Å; R411-W413 HydrophobicContact CB-CZ2 4.21Å; W413-V422 HydrophobicContact CB-CG1 3.75Å; W413-V422 HydrophobicContact CE3-CG1 4.16Å; W413-V422 HydrophobicContact CG-CG1 4.47Å; W413-R423 CarbonylContact C-O 3.52Å; W413-R423 VanDerWaalsContact CA-O 3.28Å; W413-R423 WeakPolarHBondContact CA-O 2.85Å; W413-C424 HydrophobicContact CD2-CB 4.35Å; W413-C424 HydrophobicContact CE3-CB 3.69Å; W413-C424 HydrophobicContact CH2-CB 3.95Å; W413-C424 HydrophobicContact CZ3-CB 3.47Å; W413-C424 VanDerWaalsContact CZ3-CB 3.47Å |
| 414 | Q | 87.3 | Confident | 83.1 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.7 | 175 | -172 | 176.3 | 7.8 | 0 | 0 | 110.3 | S399 L400 V422 R423 V425 | S399-Q414 CarbonylContact O-C 3.57Å; S399-Q414 WeakPolarHBondContact O-CA 3.5Å; L400-Q414 HydrophobicContact CD2-CB 3.58Å; L400-Q414 HydrophobicContact CD2-CG 3.79Å; Q414-V422 WeakPolarHBondContact O-CA 3.39Å; Q414-R423 HydrophobicContact CB-CG 4.18Å; Q414-R423 PolarHBondContact N-O 2.91Å; Q414-R423 PolarHBondContact O-N 2.65Å; Q414-V425 HydrophobicContact CB-CG2 3.48Å; Q414-V425 VanDerWaalsContact CB-CG2 3.48Å |
| 415 | L | 85 | Confident | 82.7 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.6 | 166.6 | 178.4 | 69.3 | 0 | 0 | 0 | 109.1 | L353 S399 G420 V422 | L353-L415 HydrophobicContact CD2-CB 3.95Å; L353-L415 HydrophobicContact CD2-CD2 3.81Å; L353-L415 HydrophobicContact CD2-CG 4.3Å; L353-L415 HydrophobicContact CG-CB 4.37Å; L353-L415 HydrophobicContact CG-CD2 3.76Å; S399-L415 PolarHBondContact O-N 2.86Å; S399-L415 PolarHBondContact OG-O 3.23Å; S399-L415 VanDerWaalsContact OG-O 3.12Å; L415-G420 WeakPolarHBondContact CD1-O 3.2Å; L415-V422 HydrophobicContact CB-CG2 4.17Å; L415-V422 HydrophobicContact CD1-CG2 3.53Å; L415-V422 HydrophobicContact CG-CG2 4.46Å |
| 416 | D | 78.6 | Confident | 82.3 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | trans | -80.5 | 130.5 | 166.7 | -175.6 | 25.9 | 0 | 0 | 0 | 110.1 | S419 G420 Q421 | D416-S419 WeakPolarHBondContact CB-OG 3.05Å; D416-S419 PolarHBondContact OD2-OG 3.11Å; D416-G420 WeakPolarHBondContact O-CA 3.4Å; D416-G420 PolarHBondContact O-N 3.22Å; D416-G420 VanDerWaalsContact O-N 3.1Å; D416-Q421 PolarHBondContact N-O 3.43Å | ||
| 417 | S | 69.1 | Low | 82.1 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -24.8 | -171.2 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 418 | D | 67.4 | Low | 82 | Confident | 158 Ų | 158 | 43.4 Ų | 43.4 | 85% | 0.845 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -38.4 | -173.4 | -62.7 | -20.3 | 0 | 0 | 0 | 111.9 | ||
| 419 | S | 66.7 | Low | 81.7 | Confident | 62 Ų | 62 | 41.6 Ų | 41.6 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -17.4 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | D416 Q421 | D416-S419 WeakPolarHBondContact CB-OG 3.05Å; D416-S419 PolarHBondContact OD2-OG 3.11Å; S419-Q421 PolarHBondContact O-N 3.18Å; S419-Q421 VanDerWaalsContact O-N 3.12Å; S419-Q421 PolarHBondContact OG-N 3.44Å |
| 420 | G | 69.5 | Low | 81.3 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | trans | 66 | 4.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q380 L415 D416 | Q380-G420 PolarHBondContact OE1-O 3.08Å; L415-G420 WeakPolarHBondContact CD1-O 3.2Å; D416-G420 WeakPolarHBondContact O-CA 3.4Å; D416-G420 PolarHBondContact O-N 3.22Å; D416-G420 VanDerWaalsContact O-N 3.1Å | ||
| 421 | Q | 74.8 | Confident | 81.1 | Confident | 125 Ų | 125 | 43.5 Ų | 43.5 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | trans | -85.5 | 137.2 | -178.4 | -67.9 | -174.6 | -0.5 | 0 | 0 | 111 | D416 S419 | D416-Q421 PolarHBondContact N-O 3.43Å; S419-Q421 PolarHBondContact O-N 3.18Å; S419-Q421 VanDerWaalsContact O-N 3.12Å; S419-Q421 PolarHBondContact OG-N 3.44Å | ||
| 422 | V | 81.6 | Confident | 80.9 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.2 | 172.4 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | L353 V371 Q380 L382 F401 W413 Q414 L415 | L353-V422 HydrophobicContact CD2-CG2 4.45Å; V371-V422 HydrophobicContact CG1-CG2 4.36Å; V371-V422 HydrophobicContact CG2-CG2 4.18Å; Q380-V422 PolarHBondContact NE2-O 2.93Å; L382-V422 HydrophobicContact CD1-CB 3.79Å; L382-V422 HydrophobicContact CD1-CG1 3.48Å; L382-V422 VanDerWaalsContact CD1-CG1 3.48Å; L382-V422 HydrophobicContact CD1-CG2 4.49Å; L382-V422 HydrophobicContact CD2-CB 3.82Å; L382-V422 HydrophobicContact CD2-CG1 4.24Å; L382-V422 HydrophobicContact CG-CB 4.42Å; F401-V422 HydrophobicContact CE1-CG1 3.65Å; F401-V422 HydrophobicContact CE1-CG2 4.41Å; F401-V422 HydrophobicContact CZ-CG1 3.95Å; W413-V422 HydrophobicContact CB-CG1 3.75Å; W413-V422 HydrophobicContact CE3-CG1 4.16Å; W413-V422 HydrophobicContact CG-CG1 4.47Å; Q414-V422 WeakPolarHBondContact O-CA 3.39Å; L415-V422 HydrophobicContact CB-CG2 4.17Å; L415-V422 HydrophobicContact CD1-CG2 3.53Å; L415-V422 HydrophobicContact CG-CG2 4.46Å |
| 423 | R | 82.1 | Confident | 80.8 | Confident | 90 Ų | 90 | 50 Ų | 50 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.2 | 175.9 | 64.7 | 178.9 | -168.6 | 122.3 | -5 | 111.8 | W413 Q414 V425 F466 G468 | W413-R423 CarbonylContact C-O 3.52Å; W413-R423 VanDerWaalsContact CA-O 3.28Å; W413-R423 WeakPolarHBondContact CA-O 2.85Å; Q414-R423 HydrophobicContact CB-CG 4.18Å; Q414-R423 PolarHBondContact N-O 2.91Å; Q414-R423 PolarHBondContact O-N 2.65Å; R423-V425 HydrophobicContact CG-CG2 3.8Å; R423-F466 PolarHBondContact NH2-O 3.08Å; R423-G468 PolarHBondContact NH1-O 3.4Å |
| 424 | C | 82.9 | Confident | 80.9 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 127.1 | 169.6 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | R411 W413 | R411-C424 PolarHBondContact NH1-SG 3.31Å; W413-C424 HydrophobicContact CD2-CB 4.35Å; W413-C424 HydrophobicContact CE3-CB 3.69Å; W413-C424 HydrophobicContact CH2-CB 3.95Å; W413-C424 HydrophobicContact CZ3-CB 3.47Å; W413-C424 VanDerWaalsContact CZ3-CB 3.47Å |
| 425 | V | 83.8 | Confident | 81 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -36.5 | -172.1 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | V412 Q414 R423 F466 H472 | V412-V425 PolarHBondContact O-N 2.95Å; Q414-V425 HydrophobicContact CB-CG2 3.48Å; Q414-V425 VanDerWaalsContact CB-CG2 3.48Å; R423-V425 HydrophobicContact CG-CG2 3.8Å; V425-F466 HydrophobicContact CB-CD1 4.43Å; V425-F466 HydrophobicContact CB-CG 4.5Å; V425-F466 HydrophobicContact CG1-CB 3.43Å; V425-F466 VanDerWaalsContact CG1-CB 3.43Å; V425-F466 HydrophobicContact CG1-CD1 3Å; V425-F466 HydrophobicContact CG1-CD2 3.75Å; V425-F466 HydrophobicContact CG1-CE1 3.46Å; V425-F466 VanDerWaalsContact CG1-CE1 3.46Å; V425-F466 HydrophobicContact CG1-CE2 4.17Å; V425-F466 HydrophobicContact CG1-CG 3.14Å; V425-F466 HydrophobicContact CG1-CZ 4.03Å; V425-H472 PolarHBondContact O-N 2.94Å |
| 426 | A | 82.6 | Confident | 81 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 149.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R411 V412 F466 H472 L474 | R411-A426 CarbonylContact C-O 3.54Å; R411-A426 WeakPolarHBondContact CA-O 3.48Å; V412-A426 HydrophobicContact CB-CB 4.07Å; V412-A426 HydrophobicContact CG2-CB 4.36Å; V412-A426 PolarHBondContact N-O 3.16Å; V412-A426 PolarHBondContact O-N 3.41Å; A426-F466 HydrophobicContact CB-CE1 4.45Å; A426-H472 CarbonylContact C-O 3.59Å; A426-H472 WeakPolarHBondContact CA-O 2.91Å; A426-H472 HydrophobicContact CB-CB 4.17Å; A426-H472 WeakPolarHBondContact CB-O 3.38Å; A426-L474 HydrophobicContact CB-CD1 3.9Å; A426-L474 HydrophobicContact CB-CD2 3.87Å; A426-L474 HydrophobicContact CB-CG 3.79Å |
| 427 | Q | 87.2 | Confident | 81.5 | Confident | 49 Ų | 49 | 45 Ų | 45 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.6 | 177.8 | -179.4 | 177.9 | -9 | 0 | 0 | 109.8 | V410 R411 I471 H472 Q473 L474 | V410-Q427 CarbonylContact O-C 3.59Å; V410-Q427 WeakPolarHBondContact O-CA 3.46Å; R411-Q427 HydrophobicContact CG-CB 4.4Å; R411-Q427 HydrophobicContact CG-CG 4.19Å; R411-Q427 VanDerWaalsContact NH2-CD 3.33Å; R411-Q427 VanDerWaalsContact NH2-OE1 3.13Å; Q427-I471 HydrophobicContact CB-CG2 3.72Å; Q427-H472 PolarHBondContact N-O 3.01Å; Q427-Q473 CarbonylContact O-C 3.53Å; Q427-Q473 VanDerWaalsContact O-CA 3.23Å; Q427-Q473 WeakPolarHBondContact O-CA 3.38Å; Q427-L474 PolarHBondContact O-N 3.08Å |
| 428 | G | 84.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | S409 V410 | S409-G428 WeakPolarHBondContact CA-O 3.4Å; V410-G428 PolarHBondContact N-O 3.01Å; V410-G428 PolarHBondContact O-N 2.94Å |
| 429 | S | 83.4 | Confident | 83.6 | Confident | 91 Ų | 91 | 34.5 Ų | 34.5 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | trans | -134.3 | 87.4 | 177.3 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 430 | S | 81.2 | Confident | 84.6 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 26% | 0.259 | 18% | 0.182 | S | C | . | . | trans | -123.4 | -11.5 | -178.6 | 81.6 | 0 | 0 | 0 | 0 | 114 | K458 W460 | S430-K458 VanDerWaalsContact C-NZ 3.28Å; S430-K458 PolarHBondContact O-NZ 3.26Å; S430-K458 WeakPolarHBondContact OG-CD 3.31Å; S430-K458 PolarHBondContact OG-NZ 2.82Å; S430-K458 VanDerWaalsContact OG-NZ 3.15Å; S430-W460 WeakPolarHBondContact OG-CH2 3.47Å; S430-W460 WeakPolarHBondContact OG-CZ2 3.24Å | ||
| 431 | H | 84.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 5% | 0.051 | 17% | 0.172 | C | C | . | . | trans | -77.2 | 149.8 | -179.5 | -73.4 | -75.4 | 0 | 0 | 0 | 111.4 | N433 V435 T450 S452 D454 K458 W460 | H431-N433 WeakPolarHBondContact CB-O 3.38Å; H431-V435 HydrophobicContact CB-CG2 3.94Å; H431-V435 WeakPolarHBondContact CD2-CG2 3.47Å; H431-T450 PolarHBondContact NE2-OG1 2.76Å; H431-S452 VanDerWaalsContact ND1-CB 3.31Å; H431-S452 WeakPolarHBondContact ND1-CB 3.39Å; H431-D454 IonicContact ND1-OD2 3.95Å; H431-K458 WeakPolarHBondContact CE1-CD 3.35Å; H431-K458 VanDerWaalsContact CE1-CG 3.4Å; H431-K458 WeakPolarHBondContact CE1-CG 3.39Å; H431-K458 WeakPolarHBondContact ND1-CE 3.49Å; H431-W460 AromaticContact CD2-CZ2 3.93Å; H431-W460 AromaticContact NE2-CZ2 3.96Å | ||
| 432 | T | 85.7 | Confident | 85.7 | Confident | 87 Ų | 87 | 28.9 Ų | 28.9 | 53% | 0.534 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -83.8 | -33.6 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | R408 D454 | R408-T432 VanDerWaalsContact CD-O 3.31Å; R408-T432 WeakPolarHBondContact CD-O 3.22Å; R408-T432 PolarHBondContact NE-O 3.31Å; R408-T432 PolarHBondContact NH1-O 3.06Å; T432-D454 PolarHBondContact N-OD2 3.23Å; T432-D454 VanDerWaalsContact N-OD2 3.14Å; T432-D454 WeakPolarHBondContact OG1-CB 3.43Å; T432-D454 PolarHBondContact OG1-OD2 3.08Å |
| 433 | N | 89.3 | Confident | 85.5 | Confident | 73 Ų | 73 | 33.5 Ų | 33.5 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -118.2 | -179.7 | 176.2 | -72.4 | -15.7 | 0 | 0 | 0 | 111.8 | R408 H431 Q453 D454 | R408-N433 WeakPolarHBondContact CG-O 3.1Å; H431-N433 WeakPolarHBondContact CB-O 3.38Å; N433-Q453 HydrophobicContact CB-CB 4.15Å; N433-D454 HydrophobicContact CB-CB 4.06Å |
| 434 | A | 90.2 | Very high | 84.8 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | trans | -57.5 | 137.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K406 G436 S452 Q453 | K406-A434 HydrophobicContact CB-CB 4.23Å; K406-A434 HydrophobicContact CG-CB 3.73Å; A434-G436 PolarHBondContact O-N 2.98Å; A434-S452 PolarHBondContact O-OG 3.42Å; A434-Q453 HydrophobicContact CB-CG 4.47Å; A434-Q453 PolarHBondContact O-N 2.88Å | ||
| 435 | V | 90.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 107.9 | 179.5 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | C404 A405 V410 H431 T450 G451 | C404-V435 HydrophobicContact CB-CB 4Å; C404-V435 HydrophobicContact CB-CG1 3.85Å; C404-V435 WeakPolarHBondContact SG-CG1 3.48Å; A405-V435 PolarHBondContact O-N 3.16Å; V410-V435 HydrophobicContact CG2-CG1 4.48Å; V410-V435 HydrophobicContact CG2-CG2 4.29Å; H431-V435 HydrophobicContact CB-CG2 3.94Å; H431-V435 WeakPolarHBondContact CD2-CG2 3.47Å; V435-T450 HydrophobicContact CG1-CG2 4.21Å; V435-G451 WeakPolarHBondContact CG1-O 3.44Å |
| 436 | G | 85.1 | Confident | 83.9 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -35 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | T391 A434 G451 | T391-G436 WeakPolarHBondContact CG2-O 3.38Å; T391-G436 PolarHBondContact OG1-O 3.14Å; A434-G436 PolarHBondContact O-N 2.98Å; G436-G451 PolarHBondContact N-O 2.83Å |
| 437 | S | 88.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.3 | -173.4 | 55 | 0 | 0 | 0 | 0 | 113.6 | T391 T450 G451 N488 V490 | T391-S437 WeakPolarHBondContact OG1-CA 3.38Å; S437-T450 CarbonylContact O-C 3.56Å; S437-T450 VanDerWaalsContact O-CA 3.28Å; S437-T450 WeakPolarHBondContact O-CA 3.32Å; S437-G451 PolarHBondContact N-O 3.02Å; S437-G451 PolarHBondContact O-N 3.5Å; S437-N488 WeakPolarHBondContact CB-O 3.42Å; S437-V490 WeakPolarHBondContact OG-CG2 3.13Å |
| 438 | I | 92.3 | Very high | 84.2 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.8 | 177.7 | -165.3 | 164.8 | 0 | 0 | 0 | 111.1 | T391 D393 A402 C404 V410 V448 V449 T450 | T391-I438 PolarHBondContact OG1-N 2.74Å; D393-I438 HydrophobicContact CB-CG2 3.9Å; A402-I438 HydrophobicContact CB-CD1 3.29Å; A402-I438 HydrophobicContact CB-CG1 4.4Å; C404-I438 HydrophobicContact CB-CB 4.45Å; C404-I438 VanDerWaalsContact SG-CD1 3.59Å; V410-I438 HydrophobicContact CG1-CD1 4.12Å; I438-V448 HydrophobicContact CD1-CG1 3.56Å; I438-V448 HydrophobicContact CG1-CG1 3.59Å; I438-V449 CarbonylContact C-O 3.53Å; I438-V449 WeakPolarHBondContact CA-O 3.38Å; I438-T450 HydrophobicContact CD1-CG2 4.45Å; I438-T450 HydrophobicContact CG1-CG2 4.22Å |
| 439 | G | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 119.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V449 | G439-V449 PolarHBondContact N-O 2.98Å; G439-V449 PolarHBondContact O-N 3.14Å |
| 440 | C | 87.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 146.4 | 178.7 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | D393 F395 R442 | D393-C440 HydrophobicContact CB-CB 4.3Å; D393-C440 PolarHBondContact O-SG 3.17Å; D393-C440 VanDerWaalsContact O-SG 3.4Å; D393-C440 WeakPolarHBondContact OD2-CB 3.28Å; D393-C440 PolarHBondContact OD2-N 2.92Å; F395-C440 HydrophobicContact CD1-CB 4.02Å; F395-C440 HydrophobicContact CD2-CB 4.26Å; F395-C440 HydrophobicContact CE1-CB 3.91Å; F395-C440 HydrophobicContact CE2-CB 4.18Å; F395-C440 HydrophobicContact CG-CB 4.2Å; F395-C440 HydrophobicContact CZ-CB 4Å; C440-R442 WeakPolarHBondContact O-CD 3.44Å |
| 441 | S | 85.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -64.3 | 140.2 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | F395 K444 F447 D496 | F395-S441 WeakPolarHBondContact CD1-O 3.21Å; S441-K444 WeakPolarHBondContact CB-O 3.49Å; S441-K444 PolarHBondContact OG-O 3.45Å; S441-F447 VanDerWaalsContact CB-O 3.26Å; S441-F447 WeakPolarHBondContact CB-O 3.23Å; S441-F447 PolarHBondContact N-O 2.91Å; S441-D496 PolarHBondContact OG-OD1 3.2Å; S441-D496 PolarHBondContact OG-OD2 3.19Å | ||
| 442 | R | 82.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 30.8 Ų | 30.8 | 34% | 0.343 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -103.4 | -29.8 | -167.6 | -54 | -61.9 | -81.9 | -147 | -4.2 | 113.1 | D393 K396 C440 D496 | D393-R442 IonicContact OD1-NH1 3.66Å; K396-R442 WeakPolarHBondContact CB-O 3.24Å; K396-R442 WeakPolarHBondContact CD-O 3.48Å; C440-R442 WeakPolarHBondContact O-CD 3.44Å; R442-D496 WeakPolarHBondContact CA-OD1 3.37Å; R442-D496 PolarHBondContact N-OD1 2.59Å |
| 443 | L | 78.1 | Confident | 85.9 | Confident | 106 Ų | 106 | 30.4 Ų | 30.4 | 56% | 0.555 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -95 | -55.8 | 173.6 | -77.6 | 155.4 | 0 | 0 | 0 | 111.7 | P494 D496 | L443-P494 WeakPolarHBondContact CD1-O 3.29Å; L443-P494 WeakPolarHBondContact CG-O 3.26Å; L443-D496 WeakPolarHBondContact CA-OD2 3.35Å; L443-D496 WeakPolarHBondContact CB-OD2 3.4Å; L443-D496 PolarHBondContact N-OD1 2.95Å; L443-D496 PolarHBondContact N-OD2 2.89Å |
| 444 | K | 66.9 | Low | 85.9 | Confident | 151 Ų | 151 | 28.2 Ų | 28.2 | 66% | 0.657 | 14% | 0.144 | S | C | * | . | trans | -103.7 | 125.6 | -178 | -63.3 | 179.6 | -177.9 | 179 | 0 | 108.7 | S441 S446 D496 | S441-K444 WeakPolarHBondContact CB-O 3.49Å; S441-K444 PolarHBondContact OG-O 3.45Å; K444-S446 VanDerWaalsContact CB-OG 3.32Å; K444-S446 WeakPolarHBondContact CB-OG 3.32Å; K444-S446 PolarHBondContact O-N 3.47Å; K444-D496 PolarHBondContact N-OD2 3Å | ||
| 445 | S | 68.9 | Low | 85.8 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 25% | 0.245 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 51.1 | 173.6 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 446 | S | 78.7 | Confident | 85.8 | Confident | 42 Ų | 42 | 30.1 Ų | 30.1 | 29% | 0.294 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -17.3 | -165.4 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | K444 L462 | K444-S446 VanDerWaalsContact CB-OG 3.32Å; K444-S446 WeakPolarHBondContact CB-OG 3.32Å; K444-S446 PolarHBondContact O-N 3.47Å; S446-L462 PolarHBondContact O-N 2.97Å |
| 447 | F | 87.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 10% | 0.101 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 161.4 | 175.7 | 68.6 | -93.2 | 0 | 0 | 0 | 112.5 | S441 V449 V459 W460 V492 D496 L513 | S441-F447 VanDerWaalsContact CB-O 3.26Å; S441-F447 WeakPolarHBondContact CB-O 3.23Å; S441-F447 PolarHBondContact N-O 2.91Å; F447-V449 HydrophobicContact CD2-CG2 3.76Å; F447-V449 HydrophobicContact CE2-CG2 3.68Å; F447-V459 HydrophobicContact CB-CG1 4.15Å; F447-V459 HydrophobicContact CD2-CG1 3.85Å; F447-V459 HydrophobicContact CG-CG1 4.2Å; F447-W460 CarbonylContact C-O 3.51Å; F447-W460 WeakPolarHBondContact CA-O 3.39Å; F447-W460 WeakPolarHBondContact CB-O 3.46Å; F447-V492 HydrophobicContact CE2-CG1 4.44Å; F447-V492 HydrophobicContact CE2-CG2 4.49Å; F447-V492 HydrophobicContact CZ-CG1 4.35Å; F447-D496 HydrophobicContact CE1-CB 4.22Å; F447-D496 HydrophobicContact CZ-CB 4.18Å; F447-L513 HydrophobicContact CE2-CD1 3.93Å; F447-L513 HydrophobicContact CE2-CD2 4.34Å; F447-L513 HydrophobicContact CZ-CD1 3.95Å |
| 448 | V | 89.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.8 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 107.9 | F395 A402 V412 I438 T450 V459 W460 L462 | F395-V448 HydrophobicContact CE2-CG2 4.4Å; F395-V448 HydrophobicContact CZ-CG2 3.66Å; A402-V448 HydrophobicContact CB-CG1 4.46Å; A402-V448 HydrophobicContact CB-CG2 4.32Å; V412-V448 HydrophobicContact CG2-CG2 4.42Å; I438-V448 HydrophobicContact CD1-CG1 3.56Å; I438-V448 HydrophobicContact CG1-CG1 3.59Å; V448-T450 HydrophobicContact CG1-CG2 4.15Å; V448-V459 CarbonylContact O-C 3.57Å; V448-V459 WeakPolarHBondContact O-CA 3.19Å; V448-W460 HydrophobicContact CB-CB 4.38Å; V448-W460 PolarHBondContact N-O 3.31Å; V448-W460 PolarHBondContact O-N 3.48Å; V448-L462 HydrophobicContact CG2-CD1 3.8Å; V448-L462 HydrophobicContact CG2-CD2 4.35Å; V448-L462 HydrophobicContact CG2-CG 4.17Å |
| 449 | V | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139 | 173.6 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | I438 G439 F447 V457 K458 V459 V490 V492 L499 | I438-V449 CarbonylContact C-O 3.53Å; I438-V449 WeakPolarHBondContact CA-O 3.38Å; G439-V449 PolarHBondContact N-O 2.98Å; G439-V449 PolarHBondContact O-N 3.14Å; F447-V449 HydrophobicContact CD2-CG2 3.76Å; F447-V449 HydrophobicContact CE2-CG2 3.68Å; V449-V457 HydrophobicContact CG1-CG1 3.56Å; V449-K458 CarbonylContact C-O 3.52Å; V449-K458 WeakPolarHBondContact CA-O 3.25Å; V449-K458 WeakPolarHBondContact CG1-O 3.44Å; V449-V459 HydrophobicContact CG1-CG2 4.18Å; V449-V459 HydrophobicContact CG2-CG1 4.35Å; V449-V459 HydrophobicContact CG2-CG2 4.07Å; V449-V490 HydrophobicContact CB-CG1 4.13Å; V449-V490 HydrophobicContact CG1-CG1 3.84Å; V449-V492 HydrophobicContact CB-CG2 4.49Å; V449-V492 HydrophobicContact CG2-CG2 4.02Å; V449-L499 HydrophobicContact CB-CD1 4Å; V449-L499 HydrophobicContact CG1-CD1 3.81Å; V449-L499 HydrophobicContact CG1-CD2 3.84Å; V449-L499 HydrophobicContact CG1-CG 4.47Å; V449-L499 HydrophobicContact CG2-CD1 3.91Å |
| 450 | T | 91.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.2 | -178.9 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | V410 H431 V435 S437 I438 V448 V457 K458 W460 | V410-T450 HydrophobicContact CG1-CG2 3.98Å; V410-T450 HydrophobicContact CG2-CG2 3.78Å; H431-T450 PolarHBondContact NE2-OG1 2.76Å; V435-T450 HydrophobicContact CG1-CG2 4.21Å; S437-T450 CarbonylContact O-C 3.56Å; S437-T450 VanDerWaalsContact O-CA 3.28Å; S437-T450 WeakPolarHBondContact O-CA 3.32Å; I438-T450 HydrophobicContact CD1-CG2 4.45Å; I438-T450 HydrophobicContact CG1-CG2 4.22Å; V448-T450 HydrophobicContact CG1-CG2 4.15Å; T450-V457 WeakPolarHBondContact O-CA 3.45Å; T450-K458 PolarHBondContact N-O 3.45Å; T450-K458 PolarHBondContact O-N 3.32Å; T450-K458 PolarHBondContact OG1-O 2.91Å; T450-W460 PolarHBondContact OG1-NE1 2.93Å |
| 451 | G | 91.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V435 G436 S437 | V435-G451 WeakPolarHBondContact CG1-O 3.44Å; G436-G451 PolarHBondContact N-O 2.83Å; S437-G451 PolarHBondContact N-O 3.02Å; S437-G451 PolarHBondContact O-N 3.5Å |
| 452 | S | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 161.6 | -177 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | H431 A434 D454 C455 T456 | H431-S452 VanDerWaalsContact ND1-CB 3.31Å; H431-S452 WeakPolarHBondContact ND1-CB 3.39Å; A434-S452 PolarHBondContact O-OG 3.42Å; S452-D454 WeakPolarHBondContact CB-OD1 3.17Å; S452-D454 PolarHBondContact O-N 3Å; S452-D454 PolarHBondContact OG-N 2.99Å; S452-D454 PolarHBondContact OG-OD1 3.1Å; S452-D454 PolarHBondContact OG-OD2 2.89Å; S452-C455 PolarHBondContact O-N 3.13Å; S452-T456 PolarHBondContact N-O 2.86Å; S452-T456 VanDerWaalsContact N-O 3.11Å |
| 453 | Q | 90.4 | Very high | 85.2 | Confident | 78 Ų | 78 | 31.6 Ų | 31.6 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.6 | 170.3 | -67.9 | 177.8 | -2.2 | 0 | 0 | 112.2 | N433 A434 C455 | N433-Q453 HydrophobicContact CB-CB 4.15Å; A434-Q453 HydrophobicContact CB-CG 4.47Å; A434-Q453 PolarHBondContact O-N 2.88Å; Q453-C455 PolarHBondContact O-N 2.82Å |
| 454 | D | 88.2 | Confident | 84.5 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 12.7 | 172.1 | 63.2 | 20.4 | 0 | 0 | 0 | 114 | H431 T432 N433 S452 T456 | H431-D454 IonicContact ND1-OD2 3.95Å; T432-D454 PolarHBondContact N-OD2 3.23Å; T432-D454 VanDerWaalsContact N-OD2 3.14Å; T432-D454 WeakPolarHBondContact OG1-CB 3.43Å; T432-D454 PolarHBondContact OG1-OD2 3.08Å; N433-D454 HydrophobicContact CB-CB 4.06Å; S452-D454 WeakPolarHBondContact CB-OD1 3.17Å; S452-D454 PolarHBondContact O-N 3Å; S452-D454 PolarHBondContact OG-N 2.99Å; S452-D454 PolarHBondContact OG-OD1 3.1Å; S452-D454 PolarHBondContact OG-OD2 2.89Å; D454-T456 PolarHBondContact O-N 3.43Å; D454-T456 VanDerWaalsContact O-N 3.16Å; D454-T456 WeakPolarHBondContact OD1-CB 3.32Å; D454-T456 PolarHBondContact OD1-N 2.79Å; D454-T456 PolarHBondContact OD1-OG1 3.09Å |
| 455 | C | 89.7 | Confident | 84.2 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 12% | 0.122 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 64.1 | 10.6 | -179.2 | -51 | 0 | 0 | 0 | 0 | 114.2 | S452 Q453 A482 H483 K485 | S452-C455 PolarHBondContact O-N 3.13Å; Q453-C455 PolarHBondContact O-N 2.82Å; C455-A482 PolarHBondContact O-N 2.99Å; C455-H483 VanDerWaalsContact CB-O 3.22Å; C455-H483 WeakPolarHBondContact CB-O 3.34Å; C455-H483 PolarHBondContact O-N 2.89Å; C455-K485 PolarHBondContact SG-O 3.18Å |
| 456 | T | 90.6 | Very high | 83.9 | Confident | 29 Ų | 29 | 31.1 Ų | 31.1 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.5 | 177.7 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | S452 D454 E480 | S452-T456 PolarHBondContact N-O 2.86Å; S452-T456 VanDerWaalsContact N-O 3.11Å; D454-T456 PolarHBondContact O-N 3.43Å; D454-T456 VanDerWaalsContact O-N 3.16Å; D454-T456 WeakPolarHBondContact OD1-CB 3.32Å; D454-T456 PolarHBondContact OD1-N 2.79Å; D454-T456 PolarHBondContact OD1-OG1 3.09Å; T456-E480 CarbonylContact C-O 3.45Å; T456-E480 VanDerWaalsContact CA-O 3.26Å; T456-E480 WeakPolarHBondContact CA-O 3.39Å; T456-E480 WeakPolarHBondContact CB-O 3.32Å |
| 457 | V | 90.9 | Very high | 82.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132 | 168.5 | 174.3 | 0 | 0 | 0 | 0 | 107.8 | V449 T450 E480 A482 V487 V490 L499 L519 | V449-V457 HydrophobicContact CG1-CG1 3.56Å; T450-V457 WeakPolarHBondContact O-CA 3.45Å; V457-E480 PolarHBondContact N-O 3.22Å; V457-E480 PolarHBondContact O-N 2.8Å; V457-A482 HydrophobicContact CB-CB 4.2Å; V457-A482 HydrophobicContact CG2-CB 3.55Å; V457-V487 HydrophobicContact CG2-CG1 4.38Å; V457-V487 HydrophobicContact CG2-CG2 4.5Å; V457-V490 HydrophobicContact CG2-CG2 4.41Å; V457-L499 HydrophobicContact CG1-CD2 3.91Å; V457-L519 HydrophobicContact CG1-CD2 4.38Å |
| 458 | K | 90.2 | Very high | 80.5 | Confident | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.1 | -179.3 | -58.3 | -169.5 | -174.2 | -172 | 0 | 111.6 | S430 H431 V449 T450 P476 S478 T479 | S430-K458 VanDerWaalsContact C-NZ 3.28Å; S430-K458 PolarHBondContact O-NZ 3.26Å; S430-K458 WeakPolarHBondContact OG-CD 3.31Å; S430-K458 PolarHBondContact OG-NZ 2.82Å; S430-K458 VanDerWaalsContact OG-NZ 3.15Å; H431-K458 WeakPolarHBondContact CE1-CD 3.35Å; H431-K458 VanDerWaalsContact CE1-CG 3.4Å; H431-K458 WeakPolarHBondContact CE1-CG 3.39Å; H431-K458 WeakPolarHBondContact ND1-CE 3.49Å; V449-K458 CarbonylContact C-O 3.52Å; V449-K458 WeakPolarHBondContact CA-O 3.25Å; V449-K458 WeakPolarHBondContact CG1-O 3.44Å; T450-K458 PolarHBondContact N-O 3.45Å; T450-K458 PolarHBondContact O-N 3.32Å; T450-K458 PolarHBondContact OG1-O 2.91Å; K458-P476 HydrophobicContact CD-CB 4.29Å; K458-S478 VanDerWaalsContact CA-O 3.3Å; K458-S478 WeakPolarHBondContact CA-O 3.38Å; K458-T479 HydrophobicContact CD-CG2 3.68Å; K458-T479 HydrophobicContact CG-CG2 3.77Å |
| 459 | V | 89.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.8 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | F447 V448 V449 P476 R477 S478 L513 L519 | F447-V459 HydrophobicContact CB-CG1 4.15Å; F447-V459 HydrophobicContact CD2-CG1 3.85Å; F447-V459 HydrophobicContact CG-CG1 4.2Å; V448-V459 CarbonylContact O-C 3.57Å; V448-V459 WeakPolarHBondContact O-CA 3.19Å; V449-V459 HydrophobicContact CG1-CG2 4.18Å; V449-V459 HydrophobicContact CG2-CG1 4.35Å; V449-V459 HydrophobicContact CG2-CG2 4.07Å; V459-P476 CarbonylContact O-C 3.59Å; V459-P476 WeakPolarHBondContact O-CA 3.4Å; V459-R477 WeakPolarHBondContact O-CB 3.43Å; V459-R477 PolarHBondContact O-N 2.89Å; V459-S478 PolarHBondContact N-O 2.83Å; V459-S478 VanDerWaalsContact N-O 3.11Å; V459-L513 HydrophobicContact CG1-CD2 4.34Å; V459-L513 HydrophobicContact CG2-CD2 3.82Å; V459-L519 HydrophobicContact CG2-CD1 3.54Å |
| 460 | W | 88 | Confident | 77.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.9 | -177.7 | -53.9 | 85.1 | 0 | 0 | 0 | 108.9 | V410 S430 H431 F447 V448 T450 L474 P476 | V410-W460 HydrophobicContact CG2-CZ2 4.02Å; S430-W460 WeakPolarHBondContact OG-CH2 3.47Å; S430-W460 WeakPolarHBondContact OG-CZ2 3.24Å; H431-W460 AromaticContact CD2-CZ2 3.93Å; H431-W460 AromaticContact NE2-CZ2 3.96Å; F447-W460 CarbonylContact C-O 3.51Å; F447-W460 WeakPolarHBondContact CA-O 3.39Å; F447-W460 WeakPolarHBondContact CB-O 3.46Å; V448-W460 HydrophobicContact CB-CB 4.38Å; V448-W460 PolarHBondContact N-O 3.31Å; V448-W460 PolarHBondContact O-N 3.48Å; T450-W460 PolarHBondContact OG1-NE1 2.93Å; W460-L474 HydrophobicContact CE3-CB 3.78Å; W460-L474 HydrophobicContact CZ3-CB 4.21Å; W460-L474 WeakPolarHBondContact CZ3-O 3.34Å; W460-P476 HydrophobicContact CD2-CB 4.42Å; W460-P476 HydrophobicContact CE3-CB 4.19Å; W460-P476 HydrophobicContact CZ3-CB 4.29Å; W460-P476 HydrophobicContact CZ3-CG 4.44Å |
| 461 | D | 83.6 | Confident | 76.4 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 34% | 0.342 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.4 | 175.7 | -70.8 | -28.7 | 0 | 0 | 0 | 110.1 | R477 | D461-R477 IonicContact OD1-NH1 3.29Å; D461-R477 PolarHBondContact OD1-NH1 2.88Å; D461-R477 VanDerWaalsContact OD2-CD 3.23Å; D461-R477 WeakPolarHBondContact OD2-CD 3.45Å; D461-R477 WeakPolarHBondContact OD2-CG 3.29Å; D461-R477 IonicContact OD2-CZ 2.79Å; D461-R477 IonicContact OD2-NE 3.27Å; D461-R477 IonicContact OD2-NH1 3.6Å; D461-R477 PolarHBondContact OD2-NH1 2.84Å |
| 462 | L | 80.1 | Confident | 75.7 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | trans | -105.4 | 139 | 176.1 | -63.9 | -177.8 | 0 | 0 | 0 | 110.5 | F395 V412 S446 V448 F466 L474 | F395-L462 HydrophobicContact CE1-CD1 4.07Å; F395-L462 HydrophobicContact CE2-CD1 4.21Å; F395-L462 HydrophobicContact CZ-CD1 3.42Å; F395-L462 VanDerWaalsContact CZ-CD1 3.42Å; V412-L462 HydrophobicContact CG2-CD2 3.93Å; S446-L462 PolarHBondContact O-N 2.97Å; V448-L462 HydrophobicContact CG2-CD1 3.8Å; V448-L462 HydrophobicContact CG2-CD2 4.35Å; V448-L462 HydrophobicContact CG2-CG 4.17Å; L462-F466 HydrophobicContact CB-CZ 4.49Å; L462-L474 HydrophobicContact CD2-CD1 3.8Å; L462-L474 HydrophobicContact CD2-CD2 3.67Å; L462-L474 HydrophobicContact CD2-CG 4.41Å | ||
| 463 | P | 73.8 | Confident | 75.1 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | trans | -67.2 | 151.7 | 171.5 | 26.4 | -30.1 | 0 | 0 | 0 | 111.5 | E465 F466 | P463-E465 PolarHBondContact O-N 2.84Å; P463-F466 HydrophobicContact CG-CD1 3.98Å; P463-F466 HydrophobicContact CG-CE1 3.52Å; P463-F466 HydrophobicContact CG-CZ 4.24Å | ||
| 464 | A | 63.1 | Low | 74.5 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 83% | 0.826 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -73.1 | -25 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 465 | E | 60.1 | Low | 74 | Confident | 156 Ų | 156 | 67.4 Ų | 67.4 | 73% | 0.729 | 38% | 0.376 | S | S | * | . | trans | -139.5 | 141.2 | 177.6 | -69.6 | -175.7 | 173.2 | 0 | 0 | 110.2 | P463 | P463-E465 PolarHBondContact O-N 2.84Š| ||
| 466 | F | 63 | Low | 73.5 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 11% | 0.114 | 38% | 0.384 | C | S | . | . | trans | -113.2 | 72.3 | -179.9 | -62.4 | -71.7 | 0 | 0 | 0 | 109.6 | L400 R423 V425 A426 L462 P463 | L400-F466 HydrophobicContact CD1-CE2 3.94Å; L400-F466 HydrophobicContact CD2-CD2 4.28Å; L400-F466 HydrophobicContact CD2-CE2 3.99Å; R423-F466 PolarHBondContact NH2-O 3.08Å; V425-F466 HydrophobicContact CB-CD1 4.43Å; V425-F466 HydrophobicContact CB-CG 4.5Å; V425-F466 HydrophobicContact CG1-CB 3.43Å; V425-F466 VanDerWaalsContact CG1-CB 3.43Å; V425-F466 HydrophobicContact CG1-CD1 3Å; V425-F466 HydrophobicContact CG1-CD2 3.75Å; V425-F466 HydrophobicContact CG1-CE1 3.46Å; V425-F466 VanDerWaalsContact CG1-CE1 3.46Å; V425-F466 HydrophobicContact CG1-CE2 4.17Å; V425-F466 HydrophobicContact CG1-CG 3.14Å; V425-F466 HydrophobicContact CG1-CZ 4.03Å; A426-F466 HydrophobicContact CB-CE1 4.45Å; L462-F466 HydrophobicContact CB-CZ 4.49Å; P463-F466 HydrophobicContact CG-CD1 3.98Å; P463-F466 HydrophobicContact CG-CE1 3.52Å; P463-F466 HydrophobicContact CG-CZ 4.24Å | ||
| 467 | S | 45.9 | Very low | 73.1 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 75% | 0.748 | 40% | 0.396 | S | S | * | . | trans | -96.1 | 94.3 | 177 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 468 | G | 49.3 | Very low | 72.5 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 159.7 | 156 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R423 | R423-G468 PolarHBondContact NH1-O 3.4Š|
| 469 | E | 54.9 | Low | 72.2 | Confident | 204 Ų | 204 | 76.2 Ų | 76.2 | 95% | 0.953 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -76.3 | -10.7 | 169.5 | -69.3 | -173.8 | 160.5 | 0 | 0 | 112.6 | ||
| 470 | E | 59.9 | Low | 72 | Confident | 165 Ų | 165 | 79.5 Ų | 79.5 | 77% | 0.771 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -83.6 | 138.8 | -178.2 | -64.3 | -172 | 168.8 | 0 | 0 | 113.2 | H472 | E470-H472 PolarHBondContact O-N 2.81Å; E470-H472 PolarHBondContact O-ND1 3.2Å |
| 471 | I | 71.2 | Confident | 72 | Confident | 58 Ų | 58 | 86.2 Ų | 86.2 | 30% | 0.297 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 120.9 | 177.9 | -60.8 | 168.4 | 0 | 0 | 0 | 109 | L289 Q427 Q473 | L289-I471 HydrophobicContact CD1-CD1 3.74Å; Q427-I471 HydrophobicContact CB-CG2 3.72Å; I471-Q473 PolarHBondContact O-N 3.35Å |
| 472 | H | 75.8 | Confident | 72 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 32% | 0.324 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.6 | 178.5 | -70.9 | 65.3 | 0 | 0 | 0 | 110.9 | V425 A426 Q427 E470 L474 | V425-H472 PolarHBondContact O-N 2.94Å; A426-H472 CarbonylContact C-O 3.59Å; A426-H472 WeakPolarHBondContact CA-O 2.91Å; A426-H472 HydrophobicContact CB-CB 4.17Å; A426-H472 WeakPolarHBondContact CB-O 3.38Å; Q427-H472 PolarHBondContact N-O 3.01Å; E470-H472 PolarHBondContact O-N 2.81Å; E470-H472 PolarHBondContact O-ND1 3.2Å; H472-L474 PolarHBondContact O-N 2.8Å |
| 473 | Q | 78.8 | Confident | 72.4 | Confident | 183 Ų | 183 | 82.7 Ų | 82.7 | 86% | 0.855 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.1 | 172.5 | -75.8 | -172.8 | -4.8 | 0 | 0 | 110.8 | Q427 I471 | Q427-Q473 CarbonylContact O-C 3.53Å; Q427-Q473 VanDerWaalsContact O-CA 3.23Å; Q427-Q473 WeakPolarHBondContact O-CA 3.38Å; I471-Q473 PolarHBondContact O-N 3.35Å |
| 474 | L | 79.1 | Confident | 73.2 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 9% | 0.094 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 137.1 | 178.9 | -61 | 176.4 | 0 | 0 | 0 | 110.7 | V412 A426 Q427 W460 L462 H472 | V412-L474 HydrophobicContact CG2-CD1 4.1Å; A426-L474 HydrophobicContact CB-CD1 3.9Å; A426-L474 HydrophobicContact CB-CD2 3.87Å; A426-L474 HydrophobicContact CB-CG 3.79Å; Q427-L474 PolarHBondContact O-N 3.08Å; W460-L474 HydrophobicContact CE3-CB 3.78Å; W460-L474 HydrophobicContact CZ3-CB 4.21Å; W460-L474 WeakPolarHBondContact CZ3-O 3.34Å; L462-L474 HydrophobicContact CD2-CD1 3.8Å; L462-L474 HydrophobicContact CD2-CD2 3.67Å; L462-L474 HydrophobicContact CD2-CG 4.41Å; H472-L474 PolarHBondContact O-N 2.8Å |
| 475 | S | 77.8 | Confident | 74.6 | Confident | 89 Ų | 89 | 87.1 Ų | 87.1 | 62% | 0.622 | 45% | 0.447 | S | S | * | . | trans | -108 | 142.1 | 169.1 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | R477 | S475-R477 PolarHBondContact O-N 2.9Š| ||
| 476 | P | 78.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 83.1 Ų | 83.1 | 31% | 0.305 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.9 | 176.7 | 30.2 | -33.3 | 0 | 0 | 0 | 109.6 | K458 V459 W460 T479 | K458-P476 HydrophobicContact CD-CB 4.29Å; V459-P476 CarbonylContact O-C 3.59Å; V459-P476 WeakPolarHBondContact O-CA 3.4Å; W460-P476 HydrophobicContact CD2-CB 4.42Å; W460-P476 HydrophobicContact CE3-CB 4.19Å; W460-P476 HydrophobicContact CZ3-CB 4.29Å; W460-P476 HydrophobicContact CZ3-CG 4.44Å; P476-T479 HydrophobicContact CB-CG2 4.1Å; P476-T479 HydrophobicContact CG-CG2 4.36Å |
| 477 | R | 81.4 | Confident | 77.5 | Confident | 113 Ų | 113 | 82 Ų | 82 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -44.5 | 174 | -175 | -161.7 | 179.1 | 132 | -3.4 | 111.6 | V459 D461 S475 G515 | V459-R477 WeakPolarHBondContact O-CB 3.43Å; V459-R477 PolarHBondContact O-N 2.89Å; D461-R477 IonicContact OD1-NH1 3.29Å; D461-R477 PolarHBondContact OD1-NH1 2.88Å; D461-R477 VanDerWaalsContact OD2-CD 3.23Å; D461-R477 WeakPolarHBondContact OD2-CD 3.45Å; D461-R477 WeakPolarHBondContact OD2-CG 3.29Å; D461-R477 IonicContact OD2-CZ 2.79Å; D461-R477 IonicContact OD2-NE 3.27Å; D461-R477 IonicContact OD2-NH1 3.6Å; D461-R477 PolarHBondContact OD2-NH1 2.84Å; S475-R477 PolarHBondContact O-N 2.9Å; R477-G515 PolarHBondContact NH2-O 2.92Å |
| 478 | S | 78 | Confident | 79.7 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 11% | 0.105 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 145.6 | -178.8 | 59.9 | 0 | 0 | 0 | 0 | 111 | K458 V459 G517 | K458-S478 VanDerWaalsContact CA-O 3.3Å; K458-S478 WeakPolarHBondContact CA-O 3.38Å; V459-S478 PolarHBondContact N-O 2.83Å; V459-S478 VanDerWaalsContact N-O 3.11Å; S478-G517 VanDerWaalsContact CB-O 3.31Å; S478-G517 WeakPolarHBondContact CB-O 3.19Å |
| 479 | T | 84.6 | Confident | 81.8 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 115.5 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | K458 P476 | K458-T479 HydrophobicContact CD-CG2 3.68Å; K458-T479 HydrophobicContact CG-CG2 3.77Å; P476-T479 HydrophobicContact CB-CG2 4.1Å; P476-T479 HydrophobicContact CG-CG2 4.36Å |
| 480 | E | 86.1 | Confident | 83.6 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 34% | 0.341 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | -179.6 | -74.3 | -63.3 | 159.4 | 0 | 0 | 111 | T456 V457 A482 L519 | T456-E480 CarbonylContact C-O 3.45Å; T456-E480 VanDerWaalsContact CA-O 3.26Å; T456-E480 WeakPolarHBondContact CA-O 3.39Å; T456-E480 WeakPolarHBondContact CB-O 3.32Å; V457-E480 PolarHBondContact N-O 3.22Å; V457-E480 PolarHBondContact O-N 2.8Å; E480-A482 PolarHBondContact O-N 2.83Å; E480-L519 HydrophobicContact CB-CB 4.42Å; E480-L519 HydrophobicContact CB-CD2 4.44Å; E480-L519 HydrophobicContact CG-CB 3.63Å; E480-L519 HydrophobicContact CG-CD2 4.5Å |
| 481 | K | 87.7 | Confident | 85.1 | Confident | 141 Ų | 141 | 61.3 Ų | 61.3 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 102.8 | 171.1 | -173.3 | -178.3 | 176.6 | -171.3 | 0 | 108.3 | H483 D484 | K481-H483 WeakPolarHBondContact CE-O 3.46Å; K481-D484 IonicContact NZ-OD1 3.31Å |
| 482 | A | 83.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | trans | -83.6 | -42.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C455 V457 E480 K509 W511 | C455-A482 PolarHBondContact O-N 2.99Å; V457-A482 HydrophobicContact CB-CB 4.2Å; V457-A482 HydrophobicContact CG2-CB 3.55Å; E480-A482 PolarHBondContact O-N 2.83Å; A482-K509 VanDerWaalsContact O-CD 3.25Å; A482-K509 WeakPolarHBondContact O-CD 3.34Å; A482-K509 WeakPolarHBondContact O-CE 3.12Å; A482-K509 PolarHBondContact O-NZ 3.26Å; A482-W511 HydrophobicContact CB-CH2 4.21Å; A482-W511 HydrophobicContact CB-CZ2 3.6Å | ||
| 483 | H | 88.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | trans | -139.5 | 178.4 | -169.9 | -70.5 | -88.8 | 0 | 0 | 0 | 112.5 | C455 K481 K485 V487 S501 S503 D505 T507 | C455-H483 VanDerWaalsContact CB-O 3.22Å; C455-H483 WeakPolarHBondContact CB-O 3.34Å; C455-H483 PolarHBondContact O-N 2.89Å; K481-H483 WeakPolarHBondContact CE-O 3.46Å; H483-K485 WeakPolarHBondContact CB-O 3.49Å; H483-V487 HydrophobicContact CB-CG2 4.37Å; H483-S501 PolarHBondContact NE2-OG 2.77Å; H483-S503 VanDerWaalsContact CG-CB 3.41Å; H483-S503 VanDerWaalsContact ND1-CB 3.32Å; H483-S503 WeakPolarHBondContact ND1-CB 3.01Å; H483-D505 IonicContact CE1-OD1 3.72Å; H483-D505 IonicContact CE1-OD2 3.21Å; H483-D505 IonicContact CG-OD2 3.4Å; H483-D505 IonicContact ND1-OD1 3.72Å; H483-D505 PolarHBondContact ND1-OD1 3.46Å; H483-D505 IonicContact ND1-OD2 3.81Å; H483-D505 PolarHBondContact ND1-OD2 3.21Å; H483-T507 PolarHBondContact CE1-OG1 3.18Å; H483-T507 PolarHBondContact ND1-OG1 3.49Å | ||
| 484 | D | 89.6 | Confident | 87.1 | Confident | 127 Ų | 127 | 49.4 Ų | 49.4 | 68% | 0.679 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -100.4 | -10.4 | 173.2 | -65.3 | -41.6 | 0 | 0 | 0 | 112.9 | K481 | K481-D484 IonicContact NZ-OD1 3.31Š|
| 485 | K | 92.9 | Very high | 87.4 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -132.2 | 174 | 174.1 | -65 | -166.9 | 175.4 | -169 | 0 | 110.4 | C455 H483 S503 Q504 D505 | C455-K485 PolarHBondContact SG-O 3.18Å; H483-K485 WeakPolarHBondContact CB-O 3.49Å; K485-S503 PolarHBondContact O-OG 2.91Å; K485-S503 VanDerWaalsContact O-OG 3.09Å; K485-Q504 HydrophobicContact CB-CB 4.14Å; K485-Q504 HydrophobicContact CD-CB 4.35Å; K485-D505 HydrophobicContact CB-CB 4.23Å; K485-D505 HydrophobicContact CG-CB 4.34Å |
| 486 | D | 91.6 | Very high | 87.8 | Confident | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | trans | -47.8 | 138 | -179.6 | -50.7 | -18 | 0 | 0 | 0 | 113 | S503 Q504 | D486-S503 WeakPolarHBondContact O-CA 3.39Å; D486-S503 WeakPolarHBondContact O-CB 3.11Å; D486-S503 PolarHBondContact O-OG 2.94Å; D486-Q504 PolarHBondContact O-N 2.86Å; D486-Q504 VanDerWaalsContact O-N 3.11Å | ||
| 487 | V | 93.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 105.9 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | V457 H483 V490 | V457-V487 HydrophobicContact CG2-CG1 4.38Å; V457-V487 HydrophobicContact CG2-CG2 4.5Å; H483-V487 HydrophobicContact CB-CG2 4.37Å; V487-V490 HydrophobicContact CG1-CG2 3.86Å |
| 488 | N | 92.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -30.2 | -174.8 | -67.7 | -26 | 0 | 0 | 0 | 112.9 | S437 G502 Q504 I532 W533 | S437-N488 WeakPolarHBondContact CB-O 3.42Å; N488-G502 PolarHBondContact N-O 2.74Å; N488-Q504 PolarHBondContact ND2-OE1 2.9Å; N488-I532 PolarHBondContact ND2-O 3.14Å; N488-W533 HydrophobicContact CB-CE3 4.24Å; N488-W533 WeakPolarHBondContact CB-O 3.49Å |
| 489 | S | 91.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142 | -176.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | S501 G502 W533 V535 | S489-S501 WeakPolarHBondContact O-CA 3.31Å; S489-G502 PolarHBondContact N-O 2.85Å; S489-G502 PolarHBondContact O-N 3.35Å; S489-W533 WeakPolarHBondContact CB-O 3.4Å; S489-V535 PolarHBondContact OG-N 2.86Å; S489-V535 VanDerWaalsContact OG-N 3.14Å |
| 490 | V | 93.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136 | 171.4 | 173.4 | 0 | 0 | 0 | 0 | 107.8 | S437 V449 V457 V487 L499 A500 | S437-V490 WeakPolarHBondContact OG-CG2 3.13Å; V449-V490 HydrophobicContact CB-CG1 4.13Å; V449-V490 HydrophobicContact CG1-CG1 3.84Å; V457-V490 HydrophobicContact CG2-CG2 4.41Å; V487-V490 HydrophobicContact CG1-CG2 3.86Å; V490-L499 HydrophobicContact CG1-CD1 3.55Å; V490-L499 HydrophobicContact CG1-CG 4.23Å; V490-A500 WeakPolarHBondContact CA-O 3.34Å |
| 491 | S | 91.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.2 | 177.4 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | A500 V535 F537 | S491-A500 PolarHBondContact N-O 2.8Å; S491-A500 PolarHBondContact O-N 2.67Å; S491-V535 VanDerWaalsContact CB-O 3.29Å; S491-V535 WeakPolarHBondContact CB-O 3.22Å; S491-F537 WeakPolarHBondContact O-CE2 3.38Å |
| 492 | V | 91.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.7 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | F447 V449 L499 | F447-V492 HydrophobicContact CE2-CG1 4.44Å; F447-V492 HydrophobicContact CE2-CG2 4.49Å; F447-V492 HydrophobicContact CZ-CG1 4.35Å; V449-V492 HydrophobicContact CB-CG2 4.49Å; V449-V492 HydrophobicContact CG2-CG2 4.02Å; V492-L499 HydrophobicContact CG2-CD1 3.74Å |
| 493 | S | 89.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | -63.5 | 153.3 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | N495 D496 L498 | S493-N495 PolarHBondContact O-N 2.94Å; S493-N495 PolarHBondContact OG-OD1 3.12Å; S493-D496 PolarHBondContact O-N 3.02Å; S493-L498 VanDerWaalsContact CB-O 3.31Å; S493-L498 WeakPolarHBondContact CB-O 3.48Å; S493-L498 PolarHBondContact N-O 3.49Å; S493-L498 WeakPolarHBondContact OG-CA 3.36Å; S493-L498 WeakPolarHBondContact OG-CB 3.33Å; S493-L498 PolarHBondContact OG-N 2.8Å; S493-L498 PolarHBondContact OG-O 3.09Å | ||
| 494 | P | 85.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -16.7 | 177.1 | -21.8 | 30 | 0 | 0 | 0 | 114.9 | L443 | L443-P494 WeakPolarHBondContact CD1-O 3.29Å; L443-P494 WeakPolarHBondContact CG-O 3.26Å |
| 495 | N | 86.2 | Confident | 91.2 | Very high | 61 Ų | 61 | 32 Ų | 32 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 2.3 | 179.9 | 70.3 | 13.6 | 0 | 0 | 0 | 113.8 | S493 K497 | S493-N495 PolarHBondContact O-N 2.94Å; S493-N495 PolarHBondContact OG-OD1 3.12Å; N495-K497 PolarHBondContact O-N 2.72Å; N495-K497 WeakPolarHBondContact OD1-CB 3.37Å; N495-K497 PolarHBondContact OD1-N 3.42Å |
| 496 | D | 86.8 | Confident | 91.2 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 58.1 | 4.7 | -175.4 | -59.6 | -11.4 | 0 | 0 | 0 | 115.6 | S441 R442 L443 K444 F447 S493 | S441-D496 PolarHBondContact OG-OD1 3.2Å; S441-D496 PolarHBondContact OG-OD2 3.19Å; R442-D496 WeakPolarHBondContact CA-OD1 3.37Å; R442-D496 PolarHBondContact N-OD1 2.59Å; L443-D496 WeakPolarHBondContact CA-OD2 3.35Å; L443-D496 WeakPolarHBondContact CB-OD2 3.4Å; L443-D496 PolarHBondContact N-OD1 2.95Å; L443-D496 PolarHBondContact N-OD2 2.89Å; K444-D496 PolarHBondContact N-OD2 3Å; F447-D496 HydrophobicContact CE1-CB 4.22Å; F447-D496 HydrophobicContact CZ-CB 4.18Å; S493-D496 PolarHBondContact O-N 3.02Å |
| 497 | K | 87.3 | Confident | 91.3 | Very high | 139 Ų | 139 | 31 Ų | 31 | 60% | 0.604 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -91.7 | -29.6 | -177 | -64.2 | -177.1 | 179.5 | -177 | 0 | 113.2 | N495 L513 | N495-K497 PolarHBondContact O-N 2.72Å; N495-K497 WeakPolarHBondContact OD1-CB 3.37Å; N495-K497 PolarHBondContact OD1-N 3.42Å; K497-L513 PolarHBondContact O-N 2.96Å |
| 498 | L | 90.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 146.8 | -177.8 | -56.1 | 174.7 | 0 | 0 | 0 | 110.6 | S493 L510 W511 L522 F537 L558 | S493-L498 VanDerWaalsContact CB-O 3.31Å; S493-L498 WeakPolarHBondContact CB-O 3.48Å; S493-L498 PolarHBondContact N-O 3.49Å; S493-L498 WeakPolarHBondContact OG-CA 3.36Å; S493-L498 WeakPolarHBondContact OG-CB 3.33Å; S493-L498 PolarHBondContact OG-N 2.8Å; S493-L498 PolarHBondContact OG-O 3.09Å; L498-L510 HydrophobicContact CB-CD1 4.31Å; L498-W511 WeakPolarHBondContact CA-O 3.47Å; L498-L522 HydrophobicContact CD2-CD1 3.4Å; L498-L522 VanDerWaalsContact CD2-CD1 3.4Å; L498-F537 HydrophobicContact CB-CE1 4.35Å; L498-F537 HydrophobicContact CB-CZ 3.98Å; L498-L558 HydrophobicContact CD1-CD1 4.19Å |
| 499 | L | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139 | 174.7 | -178 | 78.9 | 0 | 0 | 0 | 108.7 | V449 V457 V490 V492 L510 W511 L513 L519 | V449-L499 HydrophobicContact CB-CD1 4Å; V449-L499 HydrophobicContact CG1-CD1 3.81Å; V449-L499 HydrophobicContact CG1-CD2 3.84Å; V449-L499 HydrophobicContact CG1-CG 4.47Å; V449-L499 HydrophobicContact CG2-CD1 3.91Å; V457-L499 HydrophobicContact CG1-CD2 3.91Å; V490-L499 HydrophobicContact CG1-CD1 3.55Å; V490-L499 HydrophobicContact CG1-CG 4.23Å; V492-L499 HydrophobicContact CG2-CD1 3.74Å; L499-L510 CarbonylContact O-C 3.57Å; L499-L510 WeakPolarHBondContact O-CA 3.2Å; L499-W511 HydrophobicContact CB-CB 4.15Å; L499-W511 HydrophobicContact CD2-CB 4.37Å; L499-W511 HydrophobicContact CD2-CG 4.38Å; L499-W511 PolarHBondContact N-O 3.03Å; L499-W511 PolarHBondContact O-N 3.09Å; L499-L513 HydrophobicContact CB-CD1 3.75Å; L499-L513 HydrophobicContact CB-CG 4.22Å; L499-L513 HydrophobicContact CD1-CD1 4.29Å; L499-L519 HydrophobicContact CD2-CD2 3.94Å |
| 500 | A | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V490 S491 K509 L510 V535 F537 L544 | V490-A500 WeakPolarHBondContact CA-O 3.34Å; S491-A500 PolarHBondContact N-O 2.8Å; S491-A500 PolarHBondContact O-N 2.67Å; A500-K509 CarbonylContact C-O 3.59Å; A500-K509 VanDerWaalsContact CA-O 3.31Å; A500-K509 WeakPolarHBondContact CA-O 3.37Å; A500-L510 HydrophobicContact CB-CD1 4.41Å; A500-V535 HydrophobicContact CB-CG1 3.64Å; A500-F537 HydrophobicContact CB-CD2 4.48Å; A500-F537 HydrophobicContact CB-CE2 3.59Å; A500-F537 HydrophobicContact CB-CZ 3.66Å; A500-L544 HydrophobicContact CB-CD1 3.69Å; A500-L544 HydrophobicContact CB-CD2 4.02Å |
| 501 | S | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.2 | 172.2 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | H483 S489 A508 K509 W511 | H483-S501 PolarHBondContact NE2-OG 2.77Å; S489-S501 WeakPolarHBondContact O-CA 3.31Å; S501-A508 CarbonylContact O-C 3.55Å; S501-A508 WeakPolarHBondContact O-CA 3.38Å; S501-K509 PolarHBondContact N-O 3.24Å; S501-K509 PolarHBondContact O-N 3.23Å; S501-W511 PolarHBondContact OG-NE1 3.02Å |
| 502 | G | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N488 S489 | N488-G502 PolarHBondContact N-O 2.74Å; S489-G502 PolarHBondContact N-O 2.85Å; S489-G502 PolarHBondContact O-N 3.35Å |
| 503 | S | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 161 | -176.3 | 176 | 0 | 0 | 0 | 0 | 112.8 | H483 K485 D486 D505 R506 T507 I532 | H483-S503 VanDerWaalsContact CG-CB 3.41Å; H483-S503 VanDerWaalsContact ND1-CB 3.32Å; H483-S503 WeakPolarHBondContact ND1-CB 3.01Å; K485-S503 PolarHBondContact O-OG 2.91Å; K485-S503 VanDerWaalsContact O-OG 3.09Å; D486-S503 WeakPolarHBondContact O-CA 3.39Å; D486-S503 WeakPolarHBondContact O-CB 3.11Å; D486-S503 PolarHBondContact O-OG 2.94Å; S503-D505 WeakPolarHBondContact CB-OD1 3.33Å; S503-D505 PolarHBondContact O-N 2.92Å; S503-D505 PolarHBondContact OG-N 2.92Å; S503-R506 PolarHBondContact O-N 3.34Å; S503-T507 PolarHBondContact N-O 2.89Å; S503-I532 PolarHBondContact O-N 2.92Å |
| 504 | Q | 93.2 | Very high | 89.6 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.2 | 170.1 | -159.4 | 65.7 | 1.9 | 0 | 0 | 113.2 | K485 D486 N488 R506 | K485-Q504 HydrophobicContact CB-CB 4.14Å; K485-Q504 HydrophobicContact CD-CB 4.35Å; D486-Q504 PolarHBondContact O-N 2.86Å; D486-Q504 VanDerWaalsContact O-N 3.11Å; N488-Q504 PolarHBondContact ND2-OE1 2.9Å; Q504-R506 PolarHBondContact O-N 2.91Å; Q504-R506 VanDerWaalsContact O-N 3.16Å |
| 505 | D | 92.2 | Very high | 88.3 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 2.7 | 175.3 | 74.3 | 4.6 | 0 | 0 | 0 | 114.6 | H483 K485 S503 T507 | H483-D505 IonicContact CE1-OD1 3.72Å; H483-D505 IonicContact CE1-OD2 3.21Å; H483-D505 IonicContact CG-OD2 3.4Å; H483-D505 IonicContact ND1-OD1 3.72Å; H483-D505 PolarHBondContact ND1-OD1 3.46Å; H483-D505 IonicContact ND1-OD2 3.81Å; H483-D505 PolarHBondContact ND1-OD2 3.21Å; K485-D505 HydrophobicContact CB-CB 4.23Å; K485-D505 HydrophobicContact CG-CB 4.34Å; S503-D505 WeakPolarHBondContact CB-OD1 3.33Å; S503-D505 PolarHBondContact O-N 2.92Å; S503-D505 PolarHBondContact OG-N 2.92Å; D505-T507 VanDerWaalsContact C-N 3.26Å; D505-T507 VanDerWaalsContact CG-OG1 3.23Å; D505-T507 WeakPolarHBondContact OD1-CA 3.1Å; D505-T507 WeakPolarHBondContact OD1-CB 3.33Å; D505-T507 PolarHBondContact OD1-N 2.85Å; D505-T507 PolarHBondContact OD1-OG1 3.31Å; D505-T507 PolarHBondContact OD2-OG1 2.66Å |
| 506 | R | 92.6 | Very high | 86.6 | Confident | 147 Ų | 147 | 40.8 Ų | 40.8 | 56% | 0.555 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 76.1 | 7.4 | -179.4 | -47.8 | 172.8 | -99.6 | -168.6 | -9.5 | 113.8 | S503 Q504 R529 | S503-R506 PolarHBondContact O-N 3.34Å; Q504-R506 PolarHBondContact O-N 2.91Å; Q504-R506 VanDerWaalsContact O-N 3.16Å; R506-R529 VanDerWaalsContact CD-O 3.24Å; R506-R529 WeakPolarHBondContact CD-O 3.38Å |
| 507 | T | 92.8 | Very high | 85 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.7 | 179.4 | 74.3 | 0 | 0 | 0 | 0 | 110.9 | H483 S503 D505 V524 R526 I532 | H483-T507 PolarHBondContact CE1-OG1 3.18Å; H483-T507 PolarHBondContact ND1-OG1 3.49Å; S503-T507 PolarHBondContact N-O 2.89Å; D505-T507 VanDerWaalsContact C-N 3.26Å; D505-T507 VanDerWaalsContact CG-OG1 3.23Å; D505-T507 WeakPolarHBondContact OD1-CA 3.1Å; D505-T507 WeakPolarHBondContact OD1-CB 3.33Å; D505-T507 PolarHBondContact OD1-N 2.85Å; D505-T507 PolarHBondContact OD1-OG1 3.31Å; D505-T507 PolarHBondContact OD2-OG1 2.66Å; T507-V524 HydrophobicContact CG2-CG1 4.3Å; T507-R526 HydrophobicContact CG2-CG 4.31Å; T507-I532 VanDerWaalsContact C-CD1 3.43Å |
| 508 | A | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S501 F525 I532 V535 | S501-A508 CarbonylContact O-C 3.55Å; S501-A508 WeakPolarHBondContact O-CA 3.38Å; A508-F525 HydrophobicContact CB-CB 4.16Å; A508-F525 HydrophobicContact CB-CD2 3.87Å; A508-F525 HydrophobicContact CB-CG 4.47Å; A508-F525 PolarHBondContact N-O 2.92Å; A508-F525 WeakPolarHBondContact O-CD2 3.21Å; A508-F525 PolarHBondContact O-N 3.11Å; A508-I532 HydrophobicContact CB-CD1 3.72Å; A508-V535 HydrophobicContact CB-CG2 4.36Å |
| 509 | K | 93.6 | Very high | 83.1 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.1 | 179.6 | -68.3 | -177.6 | -177.6 | -179.6 | 0 | 110.4 | A482 A500 S501 W511 L521 V524 | A482-K509 VanDerWaalsContact O-CD 3.25Å; A482-K509 WeakPolarHBondContact O-CD 3.34Å; A482-K509 WeakPolarHBondContact O-CE 3.12Å; A482-K509 PolarHBondContact O-NZ 3.26Å; A500-K509 CarbonylContact C-O 3.59Å; A500-K509 VanDerWaalsContact CA-O 3.31Å; A500-K509 WeakPolarHBondContact CA-O 3.37Å; S501-K509 PolarHBondContact N-O 3.24Å; S501-K509 PolarHBondContact O-N 3.23Å; K509-W511 HydrophobicContact CB-CZ2 3.97Å; K509-W511 HydrophobicContact CD-CH2 4.45Å; K509-W511 HydrophobicContact CD-CZ2 3.83Å; K509-L521 HydrophobicContact CB-CD1 3.96Å; K509-L521 HydrophobicContact CD-CD1 4.13Å; K509-L521 HydrophobicContact CG-CD1 4.25Å; K509-V524 HydrophobicContact CG-CG1 4.15Å; K509-V524 HydrophobicContact CG-CG2 4.12Å |
| 510 | L | 93.6 | Very high | 82.6 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.6 | 175.4 | -169.7 | 73.7 | 0 | 0 | 0 | 109.7 | L498 L499 A500 L522 G523 F525 F537 L558 F561 | L498-L510 HydrophobicContact CB-CD1 4.31Å; L499-L510 CarbonylContact O-C 3.57Å; L499-L510 WeakPolarHBondContact O-CA 3.2Å; A500-L510 HydrophobicContact CB-CD1 4.41Å; L510-L522 HydrophobicContact CB-CB 4.4Å; L510-L522 HydrophobicContact CD2-CB 4.14Å; L510-L522 HydrophobicContact CD2-CD1 3.94Å; L510-L522 HydrophobicContact CG-CB 4.33Å; L510-L522 HydrophobicContact CG-CD1 4.16Å; L510-L522 PolarHBondContact O-N 3.26Å; L510-G523 PolarHBondContact N-O 2.95Å; L510-G523 PolarHBondContact O-N 3.49Å; L510-F525 HydrophobicContact CB-CE2 3.98Å; L510-F525 HydrophobicContact CB-CZ 4.41Å; L510-F537 HydrophobicContact CD1-CE1 3.85Å; L510-F537 HydrophobicContact CD1-CZ 3.53Å; L510-L558 HydrophobicContact CD1-CD2 4.03Å; L510-L558 HydrophobicContact CD2-CD2 4.03Å; L510-F561 HydrophobicContact CB-CE1 4.27Å; L510-F561 HydrophobicContact CD2-CE1 3.79Å; L510-F561 HydrophobicContact CD2-CZ 4.37Å |
| 511 | W | 91.1 | Very high | 82.3 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.5 | -179.4 | -44.4 | 82.7 | 0 | 0 | 0 | 110.6 | A482 L498 L499 S501 K509 L519 G520 L521 | A482-W511 HydrophobicContact CB-CH2 4.21Å; A482-W511 HydrophobicContact CB-CZ2 3.6Å; L498-W511 WeakPolarHBondContact CA-O 3.47Å; L499-W511 HydrophobicContact CB-CB 4.15Å; L499-W511 HydrophobicContact CD2-CB 4.37Å; L499-W511 HydrophobicContact CD2-CG 4.38Å; L499-W511 PolarHBondContact N-O 3.03Å; L499-W511 PolarHBondContact O-N 3.09Å; S501-W511 PolarHBondContact OG-NE1 3.02Å; K509-W511 HydrophobicContact CB-CZ2 3.97Å; K509-W511 HydrophobicContact CD-CH2 4.45Å; K509-W511 HydrophobicContact CD-CZ2 3.83Å; W511-L519 HydrophobicContact CB-CD2 3.96Å; W511-L519 HydrophobicContact CB-CG 4.07Å; W511-L519 HydrophobicContact CD2-CD2 3.91Å; W511-L519 HydrophobicContact CE3-CB 4.39Å; W511-L519 HydrophobicContact CE3-CD2 3.98Å; W511-L519 HydrophobicContact CE3-CG 4.46Å; W511-L519 HydrophobicContact CG-CD2 3.9Å; W511-G520 CarbonylContact C-O 3.49Å; W511-G520 VanDerWaalsContact CA-O 3.3Å; W511-G520 WeakPolarHBondContact CA-O 3.06Å; W511-L521 HydrophobicContact CD2-CD1 4.14Å; W511-L521 HydrophobicContact CE3-CB 3.97Å; W511-L521 HydrophobicContact CE3-CD1 4.03Å; W511-L521 HydrophobicContact CH2-CB 4.49Å; W511-L521 HydrophobicContact CH2-CD1 3.92Å; W511-L521 HydrophobicContact CZ2-CD1 4Å; W511-L521 HydrophobicContact CZ3-CB 3.81Å; W511-L521 HydrophobicContact CZ3-CD1 3.94Å; W511-L521 HydrophobicContact CZ3-CG 4.43Å |
| 512 | S | 89.1 | Confident | 82.1 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.8 | 169 | -170 | 0 | 0 | 0 | 0 | 109.6 | S514 G520 | S512-S514 PolarHBondContact O-N 3.41Å; S512-S514 PolarHBondContact OG-OG 3.5Å; S512-G520 PolarHBondContact N-O 3.49Å; S512-G520 PolarHBondContact O-N 2.91Å |
| 513 | L | 79.4 | Confident | 81.8 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 76.1 | 166.5 | -78.1 | 155.1 | 0 | 0 | 0 | 108 | F447 V459 K497 L499 L519 | F447-L513 HydrophobicContact CE2-CD1 3.93Å; F447-L513 HydrophobicContact CE2-CD2 4.34Å; F447-L513 HydrophobicContact CZ-CD1 3.95Å; V459-L513 HydrophobicContact CG1-CD2 4.34Å; V459-L513 HydrophobicContact CG2-CD2 3.82Å; K497-L513 PolarHBondContact O-N 2.96Å; L499-L513 HydrophobicContact CB-CD1 3.75Å; L499-L513 HydrophobicContact CB-CG 4.22Å; L499-L513 HydrophobicContact CD1-CD1 4.29Å; L513-L519 HydrophobicContact CD2-CD1 3.77Å; L513-L519 HydrophobicContact CG-CD1 4.44Å |
| 514 | S | 66.4 | Low | 81.8 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | trans | -80.4 | 139.8 | 170.5 | -67.1 | 0 | 0 | 0 | 0 | 109.4 | S512 D516 G517 | S512-S514 PolarHBondContact O-N 3.41Å; S512-S514 PolarHBondContact OG-OG 3.5Å; S514-D516 PolarHBondContact O-N 2.59Å; S514-G517 PolarHBondContact O-N 2.82Å | ||
| 515 | G | 58.7 | Low | 81.7 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 75% | 0.753 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 5.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R477 | R477-G515 PolarHBondContact NH2-O 2.92Š|
| 516 | D | 50.8 | Low | 81.7 | Confident | 156 Ų | 156 | 56.9 Ų | 56.9 | 83% | 0.834 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 12.1 | -175.5 | -133.1 | 17 | 0 | 0 | 0 | 113.4 | S514 N518 | S514-D516 PolarHBondContact O-N 2.59Å; D516-N518 PolarHBondContact O-N 3.46Å |
| 517 | G | 53.3 | Low | 81.4 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 91.7 | -15.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S478 S514 | S478-G517 VanDerWaalsContact CB-O 3.31Å; S478-G517 WeakPolarHBondContact CB-O 3.19Å; S514-G517 PolarHBondContact O-N 2.82Å |
| 518 | N | 62.8 | Low | 81.4 | Confident | 129 Ų | 129 | 51.7 Ų | 51.7 | 69% | 0.69 | 31% | 0.309 | S | S | * | . | trans | -95.6 | 131.1 | 177.8 | -70.3 | -10.1 | 0 | 0 | 0 | 112.3 | D516 G520 | D516-N518 PolarHBondContact O-N 3.46Å; N518-G520 PolarHBondContact O-N 2.99Å | ||
| 519 | L | 75.8 | Confident | 81.3 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 103.2 | 167.5 | -126.1 | 82.5 | 0 | 0 | 0 | 108.2 | V457 V459 E480 L499 W511 L513 | V457-L519 HydrophobicContact CG1-CD2 4.38Å; V459-L519 HydrophobicContact CG2-CD1 3.54Å; E480-L519 HydrophobicContact CB-CB 4.42Å; E480-L519 HydrophobicContact CB-CD2 4.44Å; E480-L519 HydrophobicContact CG-CB 3.63Å; E480-L519 HydrophobicContact CG-CD2 4.5Å; L499-L519 HydrophobicContact CD2-CD2 3.94Å; W511-L519 HydrophobicContact CB-CD2 3.96Å; W511-L519 HydrophobicContact CB-CG 4.07Å; W511-L519 HydrophobicContact CD2-CD2 3.91Å; W511-L519 HydrophobicContact CE3-CB 4.39Å; W511-L519 HydrophobicContact CE3-CD2 3.98Å; W511-L519 HydrophobicContact CE3-CG 4.46Å; W511-L519 HydrophobicContact CG-CD2 3.9Å; L513-L519 HydrophobicContact CD2-CD1 3.77Å; L513-L519 HydrophobicContact CG-CD1 4.44Å |
| 520 | G | 81.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W511 S512 N518 L522 | W511-G520 CarbonylContact C-O 3.49Å; W511-G520 VanDerWaalsContact CA-O 3.3Å; W511-G520 WeakPolarHBondContact CA-O 3.06Å; S512-G520 PolarHBondContact N-O 3.49Å; S512-G520 PolarHBondContact O-N 2.91Å; N518-G520 PolarHBondContact O-N 2.99Å; G520-L522 PolarHBondContact O-N 2.82Å |
| 521 | L | 87.4 | Confident | 81.3 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119.5 | 172 | -177.9 | 69.9 | 0 | 0 | 0 | 109.8 | K509 W511 V524 | K509-L521 HydrophobicContact CB-CD1 3.96Å; K509-L521 HydrophobicContact CD-CD1 4.13Å; K509-L521 HydrophobicContact CG-CD1 4.25Å; W511-L521 HydrophobicContact CD2-CD1 4.14Å; W511-L521 HydrophobicContact CE3-CB 3.97Å; W511-L521 HydrophobicContact CE3-CD1 4.03Å; W511-L521 HydrophobicContact CH2-CB 4.49Å; W511-L521 HydrophobicContact CH2-CD1 3.92Å; W511-L521 HydrophobicContact CZ2-CD1 4Å; W511-L521 HydrophobicContact CZ3-CB 3.81Å; W511-L521 HydrophobicContact CZ3-CD1 3.94Å; W511-L521 HydrophobicContact CZ3-CG 4.43Å; L521-V524 HydrophobicContact CD2-CG2 4.36Å |
| 522 | L | 88 | Confident | 81.5 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 45% | 0.45 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -41.7 | 178.2 | -69.6 | 172.5 | 0 | 0 | 0 | 112.1 | L498 L510 G520 | L498-L522 HydrophobicContact CD2-CD1 3.4Å; L498-L522 VanDerWaalsContact CD2-CD1 3.4Å; L510-L522 HydrophobicContact CB-CB 4.4Å; L510-L522 HydrophobicContact CD2-CB 4.14Å; L510-L522 HydrophobicContact CD2-CD1 3.94Å; L510-L522 HydrophobicContact CG-CB 4.33Å; L510-L522 HydrophobicContact CG-CD1 4.16Å; L510-L522 PolarHBondContact O-N 3.26Å; G520-L522 PolarHBondContact O-N 2.82Å |
| 523 | G | 88.2 | Confident | 81.7 | Confident | 11 Ų | 11 | 69 Ų | 69 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173 | 166.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L510 | L510-G523 PolarHBondContact N-O 2.95Å; L510-G523 PolarHBondContact O-N 3.49Å |
| 524 | V | 93.1 | Very high | 82.4 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.255 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.6 | -178.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | T507 K509 L521 R526 | T507-V524 HydrophobicContact CG2-CG1 4.3Å; K509-V524 HydrophobicContact CG-CG1 4.15Å; K509-V524 HydrophobicContact CG-CG2 4.12Å; L521-V524 HydrophobicContact CD2-CG2 4.36Å; V524-R526 HydrophobicContact CG1-CG 4.16Å |
| 525 | F | 92.8 | Very high | 83.7 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.7 | 173.2 | -54.3 | -77 | 0 | 0 | 0 | 109.6 | A508 L510 L544 W556 L558 F561 | A508-F525 HydrophobicContact CB-CB 4.16Å; A508-F525 HydrophobicContact CB-CD2 3.87Å; A508-F525 HydrophobicContact CB-CG 4.47Å; A508-F525 PolarHBondContact N-O 2.92Å; A508-F525 WeakPolarHBondContact O-CD2 3.21Å; A508-F525 PolarHBondContact O-N 3.11Å; L510-F525 HydrophobicContact CB-CE2 3.98Å; L510-F525 HydrophobicContact CB-CZ 4.41Å; F525-L544 HydrophobicContact CD2-CD2 3.76Å; F525-L544 HydrophobicContact CE2-CD2 3.32Å; F525-L544 HydrophobicContact CZ-CD2 3.86Å; F525-W556 HydrophobicContact CB-CD2 3.91Å; F525-W556 HydrophobicContact CB-CE3 4.01Å; F525-W556 HydrophobicContact CB-CG 4.39Å; F525-W556 HydrophobicContact CB-CH2 4.46Å; F525-W556 HydrophobicContact CB-CZ2 4.36Å; F525-W556 HydrophobicContact CB-CZ3 4.27Å; F525-W556 HydrophobicContact CD1-CB 3.56Å; F525-W556 AromaticContact CD1-CD2 3.7Å; F525-W556 HydrophobicContact CD1-CD2 3.7Å; F525-W556 AromaticContact CD1-CE3 3.71Å; F525-W556 HydrophobicContact CD1-CE3 3.71Å; F525-W556 AromaticContact CD1-CG 3.64Å; F525-W556 HydrophobicContact CD1-CG 3.64Å; F525-W556 HydrophobicContact CE1-CB 3.5Å; F525-W556 VanDerWaalsContact CE1-CB 3.5Å; F525-W556 HydrophobicContact CE1-CG 4.09Å; F525-W556 HydrophobicContact CG-CB 4.39Å; F525-W556 HydrophobicContact CG-CD2 4.07Å; F525-W556 HydrophobicContact CG-CE3 4.28Å; F525-W556 HydrophobicContact CG-CG 4.09Å; F525-W556 HydrophobicContact CZ-CB 4.34Å; F525-L558 HydrophobicContact CZ-CD2 4.08Å; F525-F561 HydrophobicContact CD1-CB 4.09Å; F525-F561 HydrophobicContact CD1-CD1 4.07Å; F525-F561 HydrophobicContact CE1-CB 4.06Å; F525-F561 AromaticContact CE1-CD1 3.46Å; F525-F561 HydrophobicContact CE1-CD1 3.46Å; F525-F561 VanDerWaalsContact CE1-CD1 3.46Å; F525-F561 HydrophobicContact CE1-CE1 4.37Å; F525-F561 HydrophobicContact CE1-CG 4.22Å; F525-F561 HydrophobicContact CE2-CD1 4.39Å; F525-F561 AromaticContact CZ-CD1 3.63Å; F525-F561 HydrophobicContact CZ-CD1 3.63Å; F525-F561 HydrophobicContact CZ-CE1 4.12Å |
| 526 | R | 90.6 | Very high | 85.3 | Confident | 189 Ų | 189 | 62.8 Ų | 62.8 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133 | 176 | -67.3 | -166.6 | 175.4 | 110.8 | -2.9 | 110.1 | T507 V524 W556 | T507-R526 HydrophobicContact CG2-CG 4.31Å; V524-R526 HydrophobicContact CG1-CG 4.16Å; R526-W556 WeakPolarHBondContact O-CH2 3.36Å |
| 527 | G | 87.1 | Confident | 87.3 | Confident | 42 Ų | 42 | 56 Ų | 56 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | trans | 156.2 | -4.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K554 | G527-K554 PolarHBondContact O-NZ 3.23Š| ||
| 528 | H | 92.6 | Very high | 89 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | trans | -76.5 | 145.4 | 170.8 | -78.3 | -63.3 | 0 | 0 | 0 | 111.7 | I532 S546 S548 D550 K554 | H528-I532 HydrophobicContact CB-CG1 4.38Å; H528-S546 PolarHBondContact NE2-OG 3.34Å; H528-S548 WeakPolarHBondContact ND1-CB 3.09Å; H528-D550 IonicContact ND1-OD2 3.58Å; H528-K554 VanDerWaalsContact CE1-CG 3.48Å; H528-K554 WeakPolarHBondContact CE1-CG 3.45Å | ||
| 529 | R | 91.8 | Very high | 90 | Very high | 205 Ų | 205 | 52.3 Ų | 52.3 | 77% | 0.774 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -82.1 | -33.6 | 180 | -62.5 | -175.5 | -179.5 | -157 | 3.4 | 111.4 | R506 D550 | R506-R529 VanDerWaalsContact CD-O 3.24Å; R506-R529 WeakPolarHBondContact CD-O 3.38Å; R529-D550 HydrophobicContact CB-CB 4.09Å; R529-D550 WeakPolarHBondContact CB-OD2 3.41Å; R529-D550 PolarHBondContact N-OD2 3.39Å |
| 530 | R | 93.9 | Very high | 90.3 | Very high | 158 Ų | 158 | 56.1 Ų | 56.1 | 60% | 0.596 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -123.3 | 178.1 | 178.8 | -67 | -178.2 | 172.1 | 174.6 | -1.5 | 111.7 | S548 A549 D550 | R530-S548 PolarHBondContact O-OG 2.63Å; R530-A549 HydrophobicContact CB-CB 3.94Å; R530-A549 WeakPolarHBondContact CD-O 3.15Å; R530-A549 PolarHBondContact NH1-O 3.47Å; R530-D550 HydrophobicContact CB-CB 4.06Å; R530-D550 HydrophobicContact CG-CB 4.1Å |
| 531 | G | 92.9 | Very high | 90.2 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | trans | -57.8 | 149.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S548 A549 | G531-S548 WeakPolarHBondContact O-CA 3.39Å; G531-S548 PolarHBondContact O-OG 3.45Å; G531-A549 PolarHBondContact O-N 3.14Å | ||
| 532 | I | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.3 | 179.1 | -59 | 177.9 | 0 | 0 | 0 | 107.9 | N488 S503 T507 A508 H528 V535 S547 | N488-I532 PolarHBondContact ND2-O 3.14Å; S503-I532 PolarHBondContact O-N 2.92Å; T507-I532 VanDerWaalsContact C-CD1 3.43Å; A508-I532 HydrophobicContact CB-CD1 3.72Å; H528-I532 HydrophobicContact CB-CG1 4.38Å; I532-V535 HydrophobicContact CG2-CG2 3.68Å; I532-S547 CarbonylContact C-O 3.59Å; I532-S547 WeakPolarHBondContact CA-O 3.3Å; I532-S547 VanDerWaalsContact CG2-O 3.28Å; I532-S547 WeakPolarHBondContact CG2-O 3.21Å |
| 533 | W | 93.7 | Very high | 90.4 | Very high | 77 Ų | 77 | 56 Ų | 56 | 29% | 0.292 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -54.5 | 178.2 | -78.2 | 116.6 | 0 | 0 | 0 | 111.6 | N488 S489 S547 L575 | N488-W533 HydrophobicContact CB-CE3 4.24Å; N488-W533 WeakPolarHBondContact CB-O 3.49Å; S489-W533 WeakPolarHBondContact CB-O 3.4Å; W533-S547 PolarHBondContact N-O 2.79Å; W533-L575 WeakPolarHBondContact CB-O 3.42Å; W533-L575 HydrophobicContact CD2-CD2 4.21Å; W533-L575 HydrophobicContact CG-CD2 4.18Å |
| 534 | S | 93.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.8 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | S546 S547 L575 | S534-S546 WeakPolarHBondContact O-CA 3.3Å; S534-S547 WeakPolarHBondContact CA-OG 3.03Å; S534-S547 VanDerWaalsContact CB-OG 3.27Å; S534-S547 WeakPolarHBondContact CB-OG 3.17Å; S534-S547 PolarHBondContact N-OG 2.95Å; S534-S547 VanDerWaalsContact N-OG 3.16Å; S534-S547 PolarHBondContact O-N 2.97Å; S534-S547 PolarHBondContact O-OG 3.24Å; S534-L575 VanDerWaalsContact CB-O 3.24Å; S534-L575 WeakPolarHBondContact CB-O 3.17Å |
| 535 | V | 94.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | S489 S491 A500 A508 I532 L544 A545 | S489-V535 PolarHBondContact OG-N 2.86Å; S489-V535 VanDerWaalsContact OG-N 3.14Å; S491-V535 VanDerWaalsContact CB-O 3.29Å; S491-V535 WeakPolarHBondContact CB-O 3.22Å; A500-V535 HydrophobicContact CB-CG1 3.64Å; A508-V535 HydrophobicContact CB-CG2 4.36Å; I532-V535 HydrophobicContact CG2-CG2 3.68Å; V535-L544 HydrophobicContact CG1-CD1 3.53Å; V535-L544 HydrophobicContact CG1-CD2 3.81Å; V535-L544 HydrophobicContact CG1-CG 3.77Å; V535-A545 WeakPolarHBondContact CA-O 3.23Å |
| 536 | C | 92.7 | Very high | 90.7 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 136.2 | -179.8 | -167 | 0 | 0 | 0 | 0 | 110.7 | A545 V577 F579 | C536-A545 PolarHBondContact N-O 2.99Å; C536-A545 PolarHBondContact O-N 3.06Å; C536-V577 WeakPolarHBondContact CB-O 3.38Å; C536-F579 HydrophobicContact CB-CD2 4.38Å; C536-F579 HydrophobicContact CB-CE2 4.44Å; C536-F579 WeakPolarHBondContact O-CE2 3.4Å |
| 537 | F | 92.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 143.3 | 170.3 | -77.8 | -79.4 | 0 | 0 | 0 | 111.6 | S491 L498 A500 L510 L544 L558 F579 | S491-F537 WeakPolarHBondContact O-CE2 3.38Å; L498-F537 HydrophobicContact CB-CE1 4.35Å; L498-F537 HydrophobicContact CB-CZ 3.98Å; A500-F537 HydrophobicContact CB-CD2 4.48Å; A500-F537 HydrophobicContact CB-CE2 3.59Å; A500-F537 HydrophobicContact CB-CZ 3.66Å; L510-F537 HydrophobicContact CD1-CE1 3.85Å; L510-F537 HydrophobicContact CD1-CZ 3.53Å; F537-L544 HydrophobicContact CD1-CD1 3.65Å; F537-L544 HydrophobicContact CD2-CD1 4.12Å; F537-L544 HydrophobicContact CE1-CD1 3.7Å; F537-L544 HydrophobicContact CE2-CD1 4.16Å; F537-L544 HydrophobicContact CG-CD1 3.87Å; F537-L544 HydrophobicContact CZ-CD1 3.97Å; F537-L558 HydrophobicContact CD1-CD1 4.27Å; F537-L558 HydrophobicContact CE1-CD1 4.06Å; F537-L558 HydrophobicContact CE1-CD2 3.91Å; F537-F579 WeakPolarHBondContact O-CD2 3.42Å |
| 538 | S | 89.3 | Confident | 91.3 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | trans | -66.4 | 139.3 | 166.4 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | V540 D541 I543 | S538-V540 VanDerWaalsContact C-N 3.27Å; S538-V540 PolarHBondContact O-N 3.12Å; S538-D541 WeakPolarHBondContact CB-O 3.46Å; S538-D541 PolarHBondContact OG-N 2.84Å; S538-I543 PolarHBondContact N-O 2.8Å | ||
| 539 | P | 82.7 | Confident | 91.3 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -70.7 | -21.1 | 178.8 | 26.7 | -34.1 | 0 | 0 | 0 | 113.8 | F579 | P539-F579 HydrophobicContact CG-CB 4.44Š|
| 540 | V | 83.3 | Confident | 91.3 | Very high | 92 Ų | 92 | 34.4 Ų | 34.4 | 56% | 0.558 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -123.5 | -48 | -172.4 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | S538 R582 | S538-V540 VanDerWaalsContact C-N 3.27Å; S538-V540 PolarHBondContact O-N 3.12Å; V540-R582 HydrophobicContact CG2-CB 4.11Å; V540-R582 WeakPolarHBondContact CG2-O 3.43Å |
| 541 | D | 79.1 | Confident | 91.2 | Very high | 76 Ų | 76 | 27 Ų | 27 | 41% | 0.406 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -88.1 | 153.7 | -174.8 | -62.7 | -30.9 | 0 | 0 | 0 | 111.7 | S538 I543 | S538-D541 WeakPolarHBondContact CB-O 3.46Å; S538-D541 PolarHBondContact OG-N 2.84Å; D541-I543 HydrophobicContact CB-CB 4.4Å; D541-I543 HydrophobicContact CB-CD1 3.77Å; D541-I543 HydrophobicContact CB-CG1 3.92Å; D541-I543 PolarHBondContact O-N 3.43Å |
| 542 | Q | 87.1 | Confident | 91.2 | Very high | 106 Ų | 106 | 27.5 Ų | 27.5 | 50% | 0.495 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -79.2 | 56.3 | 175.2 | -64.1 | -63.3 | -33.5 | 0 | 0 | 111.1 | L558 | Q542-L558 HydrophobicContact CB-CB 4.44Å; Q542-L558 HydrophobicContact CB-CD1 4.17Å; Q542-L558 WeakPolarHBondContact O-CG 3.46Å; Q542-L558 PolarHBondContact O-N 2.92Å; Q542-L558 VanDerWaalsContact O-N 3.13Å |
| 543 | I | 91.5 | Very high | 91.1 | Very high | 28 Ų | 28 | 27.6 Ų | 27.6 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.9 | -173.9 | -58.5 | 172.7 | 0 | 0 | 0 | 109.5 | S538 D541 L555 W556 L564 | S538-I543 PolarHBondContact N-O 2.8Å; D541-I543 HydrophobicContact CB-CB 4.4Å; D541-I543 HydrophobicContact CB-CD1 3.77Å; D541-I543 HydrophobicContact CB-CG1 3.92Å; D541-I543 PolarHBondContact O-N 3.43Å; I543-L555 HydrophobicContact CG2-CB 3.89Å; I543-L555 HydrophobicContact CG2-CD2 3.68Å; I543-L555 HydrophobicContact CG2-CG 4.24Å; I543-W556 CarbonylContact C-O 3.57Å; I543-W556 VanDerWaalsContact CA-O 3.29Å; I543-W556 WeakPolarHBondContact CA-O 3.32Å; I543-W556 WeakPolarHBondContact CG2-O 3.43Å; I543-L564 HydrophobicContact CD1-CD1 4.33Å; I543-L564 HydrophobicContact CG1-CD1 4.2Å |
| 544 | L | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.3 | 171.3 | -169.6 | 73.7 | 0 | 0 | 0 | 110 | A500 F525 V535 F537 L555 W556 L558 | A500-L544 HydrophobicContact CB-CD1 3.69Å; A500-L544 HydrophobicContact CB-CD2 4.02Å; F525-L544 HydrophobicContact CD2-CD2 3.76Å; F525-L544 HydrophobicContact CE2-CD2 3.32Å; F525-L544 HydrophobicContact CZ-CD2 3.86Å; V535-L544 HydrophobicContact CG1-CD1 3.53Å; V535-L544 HydrophobicContact CG1-CD2 3.81Å; V535-L544 HydrophobicContact CG1-CG 3.77Å; F537-L544 HydrophobicContact CD1-CD1 3.65Å; F537-L544 HydrophobicContact CD2-CD1 4.12Å; F537-L544 HydrophobicContact CE1-CD1 3.7Å; F537-L544 HydrophobicContact CE2-CD1 4.16Å; F537-L544 HydrophobicContact CG-CD1 3.87Å; F537-L544 HydrophobicContact CZ-CD1 3.97Å; L544-L555 CarbonylContact O-C 3.58Å; L544-L555 WeakPolarHBondContact O-CA 3.28Å; L544-W556 HydrophobicContact CB-CB 4.32Å; L544-W556 PolarHBondContact N-O 3.47Å; L544-W556 PolarHBondContact O-N 2.85Å; L544-L558 HydrophobicContact CB-CD2 4.11Å |
| 545 | A | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 142.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V535 C536 L555 V577 F579 L586 | V535-A545 WeakPolarHBondContact CA-O 3.23Å; C536-A545 PolarHBondContact N-O 2.99Å; C536-A545 PolarHBondContact O-N 3.06Å; A545-L555 HydrophobicContact CB-CD2 3.68Å; A545-V577 HydrophobicContact CB-CG1 3.84Å; A545-F579 HydrophobicContact CB-CD2 4.48Å; A545-F579 HydrophobicContact CB-CE2 3.46Å; A545-F579 VanDerWaalsContact CB-CE2 3.46Å; A545-F579 HydrophobicContact CB-CZ 3.57Å; A545-L586 HydrophobicContact CB-CD2 4.24Å |
| 546 | S | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136.8 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 110 | H528 S534 T553 K554 W556 | H528-S546 PolarHBondContact NE2-OG 3.34Å; S534-S546 WeakPolarHBondContact O-CA 3.3Å; S546-T553 CarbonylContact O-C 3.59Å; S546-T553 WeakPolarHBondContact O-CA 3.09Å; S546-T553 WeakPolarHBondContact O-CG2 3.41Å; S546-K554 PolarHBondContact N-O 3.39Å; S546-K554 PolarHBondContact O-N 2.51Å; S546-K554 PolarHBondContact OG-O 3.45Å; S546-K554 VanDerWaalsContact OG-O 3.08Å; S546-W556 PolarHBondContact OG-NE1 3.01Å |
| 547 | S | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.4 | 175.2 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | I532 W533 S534 V577 | I532-S547 CarbonylContact C-O 3.59Å; I532-S547 WeakPolarHBondContact CA-O 3.3Å; I532-S547 VanDerWaalsContact CG2-O 3.28Å; I532-S547 WeakPolarHBondContact CG2-O 3.21Å; W533-S547 PolarHBondContact N-O 2.79Å; S534-S547 WeakPolarHBondContact CA-OG 3.03Å; S534-S547 VanDerWaalsContact CB-OG 3.27Å; S534-S547 WeakPolarHBondContact CB-OG 3.17Å; S534-S547 PolarHBondContact N-OG 2.95Å; S534-S547 VanDerWaalsContact N-OG 3.16Å; S534-S547 PolarHBondContact O-N 2.97Å; S534-S547 PolarHBondContact O-OG 3.24Å; S547-V577 VanDerWaalsContact CB-CG2 3.47Å |
| 548 | S | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 159.1 | -177.1 | -178 | 0 | 0 | 0 | 0 | 112.3 | H528 R530 G531 D550 G551 T552 V574 | H528-S548 WeakPolarHBondContact ND1-CB 3.09Å; R530-S548 PolarHBondContact O-OG 2.63Å; G531-S548 WeakPolarHBondContact O-CA 3.39Å; G531-S548 PolarHBondContact O-OG 3.45Å; S548-D550 VanDerWaalsContact CB-OD1 3.26Å; S548-D550 WeakPolarHBondContact CB-OD1 3.47Å; S548-D550 PolarHBondContact O-N 3.31Å; S548-D550 PolarHBondContact OG-N 2.77Å; S548-D550 PolarHBondContact OG-OD1 2.86Å; S548-G551 PolarHBondContact O-N 3.11Å; S548-T552 PolarHBondContact N-O 2.84Å; S548-T552 VanDerWaalsContact N-O 3.16Å; S548-V574 PolarHBondContact O-N 3.09Å |
| 549 | A | 93.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -1.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | R530 G531 G551 | R530-A549 HydrophobicContact CB-CB 3.94Å; R530-A549 WeakPolarHBondContact CD-O 3.15Å; R530-A549 PolarHBondContact NH1-O 3.47Å; G531-A549 PolarHBondContact O-N 3.14Å; A549-G551 VanDerWaalsContact C-N 3.29Å |
| 550 | D | 91.9 | Very high | 91 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 20% | 0.198 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.3 | 173.6 | 64.3 | 14.4 | 0 | 0 | 0 | 113.8 | H528 R529 R530 S548 T552 | H528-D550 IonicContact ND1-OD2 3.58Å; R529-D550 HydrophobicContact CB-CB 4.09Å; R529-D550 WeakPolarHBondContact CB-OD2 3.41Å; R529-D550 PolarHBondContact N-OD2 3.39Å; R530-D550 HydrophobicContact CB-CB 4.06Å; R530-D550 HydrophobicContact CG-CB 4.1Å; S548-D550 VanDerWaalsContact CB-OD1 3.26Å; S548-D550 WeakPolarHBondContact CB-OD1 3.47Å; S548-D550 PolarHBondContact O-N 3.31Å; S548-D550 PolarHBondContact OG-N 2.77Å; S548-D550 PolarHBondContact OG-OD1 2.86Å; D550-T552 VanDerWaalsContact C-N 3.26Å; D550-T552 WeakPolarHBondContact OD1-CB 3.45Å; D550-T552 PolarHBondContact OD1-N 2.91Å; D550-T552 PolarHBondContact OD1-OG1 2.94Å |
| 551 | G | 90.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 82.3 | 2.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S548 A549 A572 | S548-G551 PolarHBondContact O-N 3.11Å; A549-G551 VanDerWaalsContact C-N 3.29Å; G551-A572 VanDerWaalsContact CA-O 3.24Å; G551-A572 WeakPolarHBondContact CA-O 3.21Å |
| 552 | T | 93.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 9% | 0.092 | 17% | 0.166 | C | C | . | . | trans | -104.4 | 146.6 | -179.9 | 77.5 | 0 | 0 | 0 | 0 | 112 | S548 D550 T566 F567 E568 | S548-T552 PolarHBondContact N-O 2.84Å; S548-T552 VanDerWaalsContact N-O 3.16Å; D550-T552 VanDerWaalsContact C-N 3.26Å; D550-T552 WeakPolarHBondContact OD1-CB 3.45Å; D550-T552 PolarHBondContact OD1-N 2.91Å; D550-T552 PolarHBondContact OD1-OG1 2.94Å; T552-T566 HydrophobicContact CG2-CG2 4.38Å; T552-F567 WeakPolarHBondContact CA-O 3.5Å; T552-E568 HydrophobicContact CG2-CG 3.98Å | ||
| 553 | T | 94.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.3 | 166.3 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | S546 F567 V577 T588 | S546-T553 CarbonylContact O-C 3.59Å; S546-T553 WeakPolarHBondContact O-CA 3.09Å; S546-T553 WeakPolarHBondContact O-CG2 3.41Å; T553-F567 HydrophobicContact CG2-CD2 4.33Å; T553-F567 PolarHBondContact N-O 3.17Å; T553-F567 WeakPolarHBondContact O-CD2 3.37Å; T553-F567 PolarHBondContact O-N 2.8Å; T553-V577 HydrophobicContact CG2-CG1 4.23Å; T553-V577 HydrophobicContact CG2-CG2 3.89Å; T553-T588 HydrophobicContact CG2-CG2 4.31Å |
| 554 | K | 94.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 13% | 0.13 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.6 | -178.5 | -67.1 | -175.3 | -179.5 | -164.2 | 0 | 111.8 | G527 H528 S546 W556 K565 T566 | G527-K554 PolarHBondContact O-NZ 3.23Å; H528-K554 VanDerWaalsContact CE1-CG 3.48Å; H528-K554 WeakPolarHBondContact CE1-CG 3.45Å; S546-K554 PolarHBondContact N-O 3.39Å; S546-K554 PolarHBondContact O-N 2.51Å; S546-K554 PolarHBondContact OG-O 3.45Å; S546-K554 VanDerWaalsContact OG-O 3.08Å; K554-W556 HydrophobicContact CB-CZ2 4.11Å; K554-W556 HydrophobicContact CD-CH2 4.47Å; K554-W556 HydrophobicContact CD-CZ2 3.98Å; K554-K565 WeakPolarHBondContact CA-O 3.49Å; K554-T566 HydrophobicContact CG-CG2 4Å |
| 555 | L | 94.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.5 | 170.3 | -69.1 | 174.3 | 0 | 0 | 0 | 110.4 | I543 L544 A545 L564 K565 F567 F579 L586 I600 | I543-L555 HydrophobicContact CG2-CB 3.89Å; I543-L555 HydrophobicContact CG2-CD2 3.68Å; I543-L555 HydrophobicContact CG2-CG 4.24Å; L544-L555 CarbonylContact O-C 3.58Å; L544-L555 WeakPolarHBondContact O-CA 3.28Å; A545-L555 HydrophobicContact CB-CD2 3.68Å; L555-L564 PolarHBondContact O-N 3.15Å; L555-K565 HydrophobicContact CB-CB 4.43Å; L555-K565 HydrophobicContact CD1-CB 4.36Å; L555-K565 PolarHBondContact N-O 2.81Å; L555-F567 HydrophobicContact CD1-CE2 3.57Å; L555-F567 HydrophobicContact CD1-CZ 3.93Å; L555-F567 HydrophobicContact CG-CE2 3.81Å; L555-F579 HydrophobicContact CD2-CE1 4.11Å; L555-F579 HydrophobicContact CD2-CZ 3.74Å; L555-L586 HydrophobicContact CD1-CD1 4.13Å; L555-L586 HydrophobicContact CD2-CD1 4.03Å; L555-L586 HydrophobicContact CG-CD1 4.26Å; L555-I600 HydrophobicContact CD1-CD1 4.25Å; L555-I600 HydrophobicContact CD1-CG1 4.23Å; L555-I600 HydrophobicContact CD1-CG2 3.65Å |
| 556 | W | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.5 | -178.8 | -52.1 | 88.4 | 0 | 0 | 0 | 110.9 | F525 R526 I543 L544 S546 K554 S562 C563 | F525-W556 HydrophobicContact CB-CD2 3.91Å; F525-W556 HydrophobicContact CB-CE3 4.01Å; F525-W556 HydrophobicContact CB-CG 4.39Å; F525-W556 HydrophobicContact CB-CH2 4.46Å; F525-W556 HydrophobicContact CB-CZ2 4.36Å; F525-W556 HydrophobicContact CB-CZ3 4.27Å; F525-W556 HydrophobicContact CD1-CB 3.56Å; F525-W556 AromaticContact CD1-CD2 3.7Å; F525-W556 HydrophobicContact CD1-CD2 3.7Å; F525-W556 AromaticContact CD1-CE3 3.71Å; F525-W556 HydrophobicContact CD1-CE3 3.71Å; F525-W556 AromaticContact CD1-CG 3.64Å; F525-W556 HydrophobicContact CD1-CG 3.64Å; F525-W556 HydrophobicContact CE1-CB 3.5Å; F525-W556 VanDerWaalsContact CE1-CB 3.5Å; F525-W556 HydrophobicContact CE1-CG 4.09Å; F525-W556 HydrophobicContact CG-CB 4.39Å; F525-W556 HydrophobicContact CG-CD2 4.07Å; F525-W556 HydrophobicContact CG-CE3 4.28Å; F525-W556 HydrophobicContact CG-CG 4.09Å; F525-W556 HydrophobicContact CZ-CB 4.34Å; R526-W556 WeakPolarHBondContact O-CH2 3.36Å; I543-W556 CarbonylContact C-O 3.57Å; I543-W556 VanDerWaalsContact CA-O 3.29Å; I543-W556 WeakPolarHBondContact CA-O 3.32Å; I543-W556 WeakPolarHBondContact CG2-O 3.43Å; L544-W556 HydrophobicContact CB-CB 4.32Å; L544-W556 PolarHBondContact N-O 3.47Å; L544-W556 PolarHBondContact O-N 2.85Å; S546-W556 PolarHBondContact OG-NE1 3.01Å; K554-W556 HydrophobicContact CB-CZ2 4.11Å; K554-W556 HydrophobicContact CD-CH2 4.47Å; K554-W556 HydrophobicContact CD-CZ2 3.98Å; W556-S562 WeakPolarHBondContact CA-O 3.31Å; W556-C563 HydrophobicContact CE3-CB 3.93Å; W556-C563 HydrophobicContact CH2-CB 4Å; W556-C563 HydrophobicContact CZ3-CB 3.62Å |
| 557 | G | 92.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 135.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q559 F561 S562 | G557-Q559 VanDerWaalsContact C-N 3.32Å; G557-Q559 PolarHBondContact O-N 3Å; G557-F561 WeakPolarHBondContact O-CA 3.11Å; G557-F561 PolarHBondContact O-N 2.87Å; G557-F561 VanDerWaalsContact O-N 3.12Å; G557-S562 PolarHBondContact N-O 3.07Å; G557-S562 VanDerWaalsContact N-O 3.14Å |
| 558 | L | 88.4 | Confident | 91.4 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.2 | 179.5 | -66.3 | 176 | 0 | 0 | 0 | 113.9 | L498 L510 F525 F537 Q542 L544 | L498-L558 HydrophobicContact CD1-CD1 4.19Å; L510-L558 HydrophobicContact CD1-CD2 4.03Å; L510-L558 HydrophobicContact CD2-CD2 4.03Å; F525-L558 HydrophobicContact CZ-CD2 4.08Å; F537-L558 HydrophobicContact CD1-CD1 4.27Å; F537-L558 HydrophobicContact CE1-CD1 4.06Å; F537-L558 HydrophobicContact CE1-CD2 3.91Å; Q542-L558 HydrophobicContact CB-CB 4.44Å; Q542-L558 HydrophobicContact CB-CD1 4.17Å; Q542-L558 WeakPolarHBondContact O-CG 3.46Å; Q542-L558 PolarHBondContact O-N 2.92Å; Q542-L558 VanDerWaalsContact O-N 3.13Å; L544-L558 HydrophobicContact CB-CD2 4.11Å |
| 559 | Q | 86.9 | Confident | 91 | Very high | 160 Ų | 160 | 46 Ų | 46 | 75% | 0.748 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -49.2 | -179.6 | -64.4 | -178.5 | 4.3 | 0 | 0 | 111.8 | G557 | G557-Q559 VanDerWaalsContact C-N 3.32Å; G557-Q559 PolarHBondContact O-N 3Å |
| 560 | D | 85.3 | Confident | 90.8 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 66% | 0.663 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -7.5 | -171.7 | -57.4 | -34.4 | 0 | 0 | 0 | 113.3 | S562 | D560-S562 PolarHBondContact O-N 3.14Š|
| 561 | F | 87.6 | Confident | 90.7 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 27% | 0.272 | 28% | 0.279 | S | S | . | . | trans | 53.5 | 17 | -172.5 | -53.6 | -80.2 | 0 | 0 | 0 | 114.6 | L510 F525 G557 | L510-F561 HydrophobicContact CB-CE1 4.27Å; L510-F561 HydrophobicContact CD2-CE1 3.79Å; L510-F561 HydrophobicContact CD2-CZ 4.37Å; F525-F561 HydrophobicContact CD1-CB 4.09Å; F525-F561 HydrophobicContact CD1-CD1 4.07Å; F525-F561 HydrophobicContact CE1-CB 4.06Å; F525-F561 AromaticContact CE1-CD1 3.46Å; F525-F561 HydrophobicContact CE1-CD1 3.46Å; F525-F561 VanDerWaalsContact CE1-CD1 3.46Å; F525-F561 HydrophobicContact CE1-CE1 4.37Å; F525-F561 HydrophobicContact CE1-CG 4.22Å; F525-F561 HydrophobicContact CE2-CD1 4.39Å; F525-F561 AromaticContact CZ-CD1 3.63Å; F525-F561 HydrophobicContact CZ-CD1 3.63Å; F525-F561 HydrophobicContact CZ-CE1 4.12Å; G557-F561 WeakPolarHBondContact O-CA 3.11Å; G557-F561 PolarHBondContact O-N 2.87Å; G557-F561 VanDerWaalsContact O-N 3.12Å | ||
| 562 | S | 89.4 | Confident | 90.7 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | trans | -85.4 | 152.6 | -179.6 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | W556 G557 D560 L564 | W556-S562 WeakPolarHBondContact CA-O 3.31Å; G557-S562 PolarHBondContact N-O 3.07Å; G557-S562 VanDerWaalsContact N-O 3.14Å; D560-S562 PolarHBondContact O-N 3.14Å; S562-L564 PolarHBondContact O-N 3.04Å | ||
| 563 | C | 90.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 112.1 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 109 | W556 | W556-C563 HydrophobicContact CE3-CB 3.93Å; W556-C563 HydrophobicContact CH2-CB 4Å; W556-C563 HydrophobicContact CZ3-CB 3.62Å |
| 564 | L | 89.9 | Confident | 90.7 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -49 | -179.8 | -64.6 | 174 | 0 | 0 | 0 | 111.6 | I543 L555 S562 | I543-L564 HydrophobicContact CD1-CD1 4.33Å; I543-L564 HydrophobicContact CG1-CD1 4.2Å; L555-L564 PolarHBondContact O-N 3.15Å; S562-L564 PolarHBondContact O-N 3.04Å |
| 565 | K | 90.6 | Very high | 90.7 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.4 | -177.6 | -64.1 | -161.9 | 174.3 | -154 | 0 | 111 | K554 L555 F567 I600 K601 | K554-K565 WeakPolarHBondContact CA-O 3.49Å; L555-K565 HydrophobicContact CB-CB 4.43Å; L555-K565 HydrophobicContact CD1-CB 4.36Å; L555-K565 PolarHBondContact N-O 2.81Å; K565-F567 HydrophobicContact CB-CE2 4.42Å; K565-I600 WeakPolarHBondContact CD-O 3.4Å; K565-I600 VanDerWaalsContact CE-O 3.32Å; K565-I600 WeakPolarHBondContact CE-O 3.4Å; K565-I600 PolarHBondContact NZ-O 3.5Å; K565-K601 PolarHBondContact NZ-O 3.04Å |
| 566 | T | 93.1 | Very high | 90.6 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.9 | 170.4 | -54 | 0 | 0 | 0 | 0 | 107.6 | T552 K554 E568 N603 | T552-T566 HydrophobicContact CG2-CG2 4.38Å; K554-T566 HydrophobicContact CG-CG2 4Å; T566-E568 HydrophobicContact CG2-CG 3.86Å; T566-N603 PolarHBondContact O-ND2 3.12Å |
| 567 | F | 92.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.3 | 171.6 | -59.3 | -83.8 | 0 | 0 | 0 | 107.9 | T552 T553 L555 K565 L586 W598 I600 N603 | T552-F567 WeakPolarHBondContact CA-O 3.5Å; T553-F567 HydrophobicContact CG2-CD2 4.33Å; T553-F567 PolarHBondContact N-O 3.17Å; T553-F567 WeakPolarHBondContact O-CD2 3.37Å; T553-F567 PolarHBondContact O-N 2.8Å; L555-F567 HydrophobicContact CD1-CE2 3.57Å; L555-F567 HydrophobicContact CD1-CZ 3.93Å; L555-F567 HydrophobicContact CG-CE2 3.81Å; K565-F567 HydrophobicContact CB-CE2 4.42Å; F567-L586 HydrophobicContact CD2-CD1 4.05Å; F567-L586 HydrophobicContact CE2-CD1 3.35Å; F567-L586 HydrophobicContact CZ-CD1 3.73Å; F567-W598 HydrophobicContact CB-CD2 4.42Å; F567-W598 HydrophobicContact CB-CE3 4.36Å; F567-W598 HydrophobicContact CB-CZ3 4.49Å; F567-W598 HydrophobicContact CD1-CB 4.22Å; F567-W598 HydrophobicContact CD1-CD2 4.04Å; F567-W598 AromaticContact CD1-CE3 3.72Å; F567-W598 HydrophobicContact CD1-CE3 3.72Å; F567-W598 HydrophobicContact CD1-CG 4.27Å; F567-W598 HydrophobicContact CD1-CZ3 4.41Å; F567-W598 HydrophobicContact CE1-CB 4.14Å; F567-W598 HydrophobicContact CG-CD2 4.49Å; F567-W598 HydrophobicContact CG-CE3 4.44Å; F567-I600 HydrophobicContact CZ-CG1 4.4Å; F567-N603 VanDerWaalsContact CD1-OD1 3.23Å; F567-N603 WeakPolarHBondContact CD1-OD1 3.27Å; F567-N603 WeakPolarHBondContact CE1-OD1 3.42Å |
| 568 | E | 90.6 | Very high | 90.6 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | trans | -119.1 | 144.7 | 176.4 | -56.8 | -170.4 | 162 | 0 | 0 | 108.1 | T552 T566 W598 | T552-E568 HydrophobicContact CG2-CG 3.98Å; T566-E568 HydrophobicContact CG2-CG 3.86Å; E568-W598 WeakPolarHBondContact O-CH2 3.48Å | ||
| 569 | G | 86.7 | Confident | 90.7 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | trans | 145.2 | -5.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K596 | G569-K596 PolarHBondContact O-NZ 2.74Š| ||
| 570 | H | 90.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | trans | -82.5 | 134.1 | 163.7 | -76.6 | -82.9 | 0 | 0 | 0 | 109.5 | A572 V574 T588 D592 | H570-A572 VanDerWaalsContact C-N 3.31Å; H570-V574 HydrophobicContact CB-CG2 3.84Å; H570-V574 VanDerWaalsContact CD2-CG2 3.5Å; H570-V574 WeakPolarHBondContact CD2-CG2 3.45Å; H570-T588 WeakPolarHBondContact NE2-CB 3.49Å; H570-T588 PolarHBondContact NE2-OG1 2.7Å; H570-D592 IonicContact ND1-OD2 3.86Å | ||
| 571 | D | 88.9 | Confident | 90.4 | Very high | 151 Ų | 151 | 41 Ų | 41 | 81% | 0.807 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -78.4 | -25.1 | 179.7 | -62.9 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 572 | A | 91.4 | Very high | 90 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -122.3 | -174.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G551 H570 S591 D592 | G551-A572 VanDerWaalsContact CA-O 3.24Å; G551-A572 WeakPolarHBondContact CA-O 3.21Å; H570-A572 VanDerWaalsContact C-N 3.31Å; A572-S591 WeakPolarHBondContact CB-OG 3.13Å; A572-D592 HydrophobicContact CB-CB 4.05Å |
| 573 | S | 93.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 43 Ų | 43 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | -63.9 | 136.1 | -177.9 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | S591 | S573-S591 PolarHBondContact N-OG 2.58Å; S573-S591 PolarHBondContact O-N 3.17Å; S573-S591 PolarHBondContact O-OG 2.86Å; S573-S591 WeakPolarHBondContact OG-CB 3.39Å; S573-S591 PolarHBondContact OG-OG 2.76Å | ||
| 574 | V | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120 | 172 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | S548 H570 V577 T588 S589 | S548-V574 PolarHBondContact O-N 3.09Å; H570-V574 HydrophobicContact CB-CG2 3.84Å; H570-V574 VanDerWaalsContact CD2-CG2 3.5Å; H570-V574 WeakPolarHBondContact CD2-CG2 3.45Å; V574-V577 HydrophobicContact CG1-CG2 3.97Å; V574-T588 HydrophobicContact CG1-CG2 4.43Å; V574-S589 WeakPolarHBondContact CG1-O 3.49Å |
| 575 | L | 93.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -42.4 | -173 | -61.3 | 176.6 | 0 | 0 | 0 | 111.9 | W533 S534 S589 K615 V616 W617 | W533-L575 WeakPolarHBondContact CB-O 3.42Å; W533-L575 HydrophobicContact CD2-CD2 4.21Å; W533-L575 HydrophobicContact CG-CD2 4.18Å; S534-L575 VanDerWaalsContact CB-O 3.24Å; S534-L575 WeakPolarHBondContact CB-O 3.17Å; L575-S589 PolarHBondContact N-O 3.2Å; L575-K615 HydrophobicContact CD1-CB 4.26Å; L575-V616 WeakPolarHBondContact CD1-O 3.5Å; L575-W617 HydrophobicContact CD1-CD2 4.03Å; L575-W617 HydrophobicContact CD1-CE3 3.75Å; L575-W617 HydrophobicContact CD1-CZ3 4Å; L575-W617 HydrophobicContact CD2-CE3 4.35Å; L575-W617 HydrophobicContact CD2-CZ3 3.94Å; L575-W617 HydrophobicContact CG-CE3 4.48Å |
| 576 | K | 92.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 34.2 Ų | 34.2 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.8 | -177.6 | -148.8 | 165.9 | -168.8 | 143.4 | 0 | 113.4 | D349 T588 S589 W617 L619 | D349-K576 IonicContact OD1-NZ 3.9Å; D349-K576 PolarHBondContact OD1-NZ 3.44Å; D349-K576 IonicContact OD2-NZ 3.82Å; D349-K576 PolarHBondContact OD2-NZ 3.27Å; K576-T588 WeakPolarHBondContact O-CA 3.42Å; K576-S589 WeakPolarHBondContact CA-OG 3.17Å; K576-S589 WeakPolarHBondContact CB-OG 3.14Å; K576-S589 PolarHBondContact N-OG 3.46Å; K576-S589 PolarHBondContact O-N 2.87Å; K576-S589 PolarHBondContact O-OG 2.84Å; K576-W617 WeakPolarHBondContact CD-O 3.33Å; K576-L619 HydrophobicContact CB-CB 4.28Å; K576-L619 HydrophobicContact CD-CB 4.13Å; K576-L619 HydrophobicContact CG-CB 4.44Å |
| 577 | V | 93.6 | Very high | 89 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.9 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | C536 A545 S547 T553 V574 L586 L587 T588 | C536-V577 WeakPolarHBondContact CB-O 3.38Å; A545-V577 HydrophobicContact CB-CG1 3.84Å; S547-V577 VanDerWaalsContact CB-CG2 3.47Å; T553-V577 HydrophobicContact CG2-CG1 4.23Å; T553-V577 HydrophobicContact CG2-CG2 3.89Å; V574-V577 HydrophobicContact CG1-CG2 3.97Å; V577-L586 HydrophobicContact CG1-CD2 3.94Å; V577-L587 WeakPolarHBondContact CA-O 3.47Å; V577-T588 HydrophobicContact CG2-CG2 3.85Å |
| 578 | I | 91.8 | Very high | 89 | Confident | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 141.3 | 177.8 | -75.5 | 159.5 | 0 | 0 | 0 | 110.7 | V580 L586 L587 L619 H620 | I578-V580 HydrophobicContact CG2-CG2 4.29Å; I578-L586 WeakPolarHBondContact O-CA 3.31Å; I578-L587 PolarHBondContact N-O 3.47Å; I578-L587 PolarHBondContact O-N 2.78Å; I578-L619 HydrophobicContact CB-CD2 4.2Å; I578-L619 HydrophobicContact CD1-CB 4.01Å; I578-L619 HydrophobicContact CD1-CD2 3.9Å; I578-L619 HydrophobicContact CD1-CG 3.68Å; I578-L619 WeakPolarHBondContact CD1-O 3.38Å; I578-L619 HydrophobicContact CG1-CD2 4.35Å; I578-H620 VanDerWaalsContact CD1-CA 3.47Å |
| 579 | F | 90.4 | Very high | 89.1 | Confident | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.5 | 168.8 | -74.6 | -85.3 | 0 | 0 | 0 | 111.5 | C536 F537 P539 A545 L555 L586 I600 | C536-F579 HydrophobicContact CB-CD2 4.38Å; C536-F579 HydrophobicContact CB-CE2 4.44Å; C536-F579 WeakPolarHBondContact O-CE2 3.4Å; F537-F579 WeakPolarHBondContact O-CD2 3.42Å; P539-F579 HydrophobicContact CG-CB 4.44Å; A545-F579 HydrophobicContact CB-CD2 4.48Å; A545-F579 HydrophobicContact CB-CE2 3.46Å; A545-F579 VanDerWaalsContact CB-CE2 3.46Å; A545-F579 HydrophobicContact CB-CZ 3.57Å; L555-F579 HydrophobicContact CD2-CE1 4.11Å; L555-F579 HydrophobicContact CD2-CZ 3.74Å; F579-L586 HydrophobicContact CD1-CD2 3.43Å; F579-L586 VanDerWaalsContact CD1-CD2 3.43Å; F579-L586 HydrophobicContact CD1-CG 4.27Å; F579-L586 HydrophobicContact CD2-CD2 4.17Å; F579-L586 HydrophobicContact CE1-CD2 3.43Å; F579-L586 VanDerWaalsContact CE1-CD2 3.43Å; F579-L586 HydrophobicContact CE1-CG 4.23Å; F579-L586 HydrophobicContact CE2-CD2 4.14Å; F579-L586 HydrophobicContact CG-CD2 3.85Å; F579-L586 HydrophobicContact CZ-CD2 3.8Å; F579-I600 HydrophobicContact CD1-CD1 4.03Å; F579-I600 HydrophobicContact CE1-CD1 3.68Å |
| 580 | V | 85.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 162 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | K9 Y12 I578 R582 G583 T584 Q585 L587 D625 | K9-V580 HydrophobicContact CD-CG1 3.88Å; Y12-V580 WeakPolarHBondContact OH-CG1 3.5Å; I578-V580 HydrophobicContact CG2-CG2 4.29Å; V580-R582 VanDerWaalsContact C-N 3.34Å; V580-R582 PolarHBondContact O-N 3.36Å; V580-G583 PolarHBondContact O-N 3.18Å; V580-G583 VanDerWaalsContact O-N 3.08Å; V580-T584 PolarHBondContact O-N 3.33Å; V580-Q585 HydrophobicContact CB-CB 4.45Å; V580-Q585 PolarHBondContact N-O 3.11Å; V580-Q585 PolarHBondContact O-N 3.18Å; V580-L587 HydrophobicContact CG2-CB 4.34Å; V580-L587 HydrophobicContact CG2-CD1 3.47Å; V580-L587 VanDerWaalsContact CG2-CD1 3.47Å; V580-L587 HydrophobicContact CG2-CG 3.76Å; V580-D625 HydrophobicContact CG1-CB 3.98Å |
| 581 | S | 80.3 | Confident | 89.5 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 60.6 | 47.7 | 174.7 | -60 | 0 | 0 | 0 | 0 | 110.4 | L6 K9 G583 T584 Q585 D625 | L6-S581 WeakPolarHBondContact CD2-O 3.26Å; K9-S581 WeakPolarHBondContact CE-OG 3.02Å; S581-G583 PolarHBondContact O-N 3.01Å; S581-T584 VanDerWaalsContact CB-OG1 3.25Å; S581-T584 WeakPolarHBondContact CB-OG1 3.27Å; S581-T584 PolarHBondContact O-N 3.29Å; S581-T584 PolarHBondContact O-OG1 2.94Å; S581-Q585 PolarHBondContact OG-OE1 2.97Å; S581-D625 WeakPolarHBondContact CA-OD2 3.38Å; S581-D625 PolarHBondContact N-OD2 3.02Å |
| 582 | R | 79.2 | Confident | 89.5 | Confident | 152 Ų | 152 | 18.9 Ų | 18.9 | 57% | 0.574 | 10% | 0.098 | S | C | * | . | G | 310 helix | trans | 53.5 | 32.9 | -175.2 | -58.6 | -173.9 | 170.5 | 130 | -0.5 | 114.1 | L6 V540 V580 | L6-R582 HydrophobicContact CD2-CB 4.14Å; L6-R582 HydrophobicContact CD2-CG 4.32Å; V540-R582 HydrophobicContact CG2-CB 4.11Å; V540-R582 WeakPolarHBondContact CG2-O 3.43Å; V580-R582 VanDerWaalsContact C-N 3.34Å; V580-R582 PolarHBondContact O-N 3.36Å |
| 583 | G | 78.4 | Confident | 89.4 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | 93.9 | 9.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | V580 S581 I600 | V580-G583 PolarHBondContact O-N 3.18Å; V580-G583 VanDerWaalsContact O-N 3.08Å; S581-G583 PolarHBondContact O-N 3.01Å; G583-I600 WeakPolarHBondContact O-CD1 3.27Å |
| 584 | T | 84.8 | Confident | 89.4 | Confident | 26 Ų | 26 | 17.6 Ų | 17.6 | 16% | 0.16 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -21.7 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | V580 S581 I600 | V580-T584 PolarHBondContact O-N 3.33Å; S581-T584 VanDerWaalsContact CB-OG1 3.25Å; S581-T584 WeakPolarHBondContact CB-OG1 3.27Å; S581-T584 PolarHBondContact O-N 3.29Å; S581-T584 PolarHBondContact O-OG1 2.94Å; T584-I600 WeakPolarHBondContact O-CB 3.27Å; T584-I600 WeakPolarHBondContact O-CG1 3.47Å; T584-I600 PolarHBondContact O-N 2.95Å; T584-I600 VanDerWaalsContact O-N 3.12Å |
| 585 | Q | 88.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.5 | 178.8 | -68.1 | -179.1 | -46.6 | 0 | 0 | 110.9 | F8 K9 V580 S581 L597 W598 | F8-Q585 HydrophobicContact CD1-CG 4.05Å; K9-Q585 VanDerWaalsContact N-OE1 3.08Å; K9-Q585 PolarHBondContact O-NE2 2.92Å; V580-Q585 HydrophobicContact CB-CB 4.45Å; V580-Q585 PolarHBondContact N-O 3.11Å; V580-Q585 PolarHBondContact O-N 3.18Å; S581-Q585 PolarHBondContact OG-OE1 2.97Å; Q585-L597 HydrophobicContact CB-CD1 4.13Å; Q585-W598 CarbonylContact C-O 3.59Å; Q585-W598 VanDerWaalsContact CA-O 3.24Å; Q585-W598 WeakPolarHBondContact CA-O 3.32Å; Q585-W598 WeakPolarHBondContact CB-O 3.45Å |
| 586 | L | 90.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.9 | 177 | -71.5 | 165.5 | 0 | 0 | 0 | 110 | A545 L555 F567 V577 I578 F579 W598 I600 | A545-L586 HydrophobicContact CB-CD2 4.24Å; L555-L586 HydrophobicContact CD1-CD1 4.13Å; L555-L586 HydrophobicContact CD2-CD1 4.03Å; L555-L586 HydrophobicContact CG-CD1 4.26Å; F567-L586 HydrophobicContact CD2-CD1 4.05Å; F567-L586 HydrophobicContact CE2-CD1 3.35Å; F567-L586 HydrophobicContact CZ-CD1 3.73Å; V577-L586 HydrophobicContact CG1-CD2 3.94Å; I578-L586 WeakPolarHBondContact O-CA 3.31Å; F579-L586 HydrophobicContact CD1-CD2 3.43Å; F579-L586 VanDerWaalsContact CD1-CD2 3.43Å; F579-L586 HydrophobicContact CD1-CG 4.27Å; F579-L586 HydrophobicContact CD2-CD2 4.17Å; F579-L586 HydrophobicContact CE1-CD2 3.43Å; F579-L586 VanDerWaalsContact CE1-CD2 3.43Å; F579-L586 HydrophobicContact CE1-CG 4.23Å; F579-L586 HydrophobicContact CE2-CD2 4.14Å; F579-L586 HydrophobicContact CG-CD2 3.85Å; F579-L586 HydrophobicContact CZ-CD2 3.8Å; L586-W598 HydrophobicContact CB-CB 4.24Å; L586-W598 PolarHBondContact N-O 3.38Å; L586-W598 PolarHBondContact O-N 2.91Å; L586-I600 HydrophobicContact CD1-CD1 4.16Å; L586-I600 HydrophobicContact CD1-CG1 3.86Å; L586-I600 HydrophobicContact CG-CD1 3.94Å; L586-I600 HydrophobicContact CG-CG1 3.88Å |
| 587 | L | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.6 | 163.4 | -75.2 | 171.3 | 0 | 0 | 0 | 109 | V577 I578 V580 V595 L597 L619 M628 | V577-L587 WeakPolarHBondContact CA-O 3.47Å; I578-L587 PolarHBondContact N-O 3.47Å; I578-L587 PolarHBondContact O-N 2.78Å; V580-L587 HydrophobicContact CG2-CB 4.34Å; V580-L587 HydrophobicContact CG2-CD1 3.47Å; V580-L587 VanDerWaalsContact CG2-CD1 3.47Å; V580-L587 HydrophobicContact CG2-CG 3.76Å; L587-V595 HydrophobicContact CD2-CG1 4.26Å; L587-L597 HydrophobicContact CD2-CB 3.93Å; L587-L597 HydrophobicContact CD2-CD1 3.63Å; L587-L597 HydrophobicContact CD2-CG 4.35Å; L587-L597 HydrophobicContact CG-CD1 3.97Å; L587-L619 HydrophobicContact CB-CD2 3.78Å; L587-M628 HydrophobicContact CD1-SD 3.44Å; L587-M628 WeakPolarHBondContact CD1-SD 3.47Å; L587-M628 HydrophobicContact CD2-SD 4.15Å; L587-M628 HydrophobicContact CG-SD 4.48Å |
| 588 | T | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.8 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | T553 H570 V574 K576 V577 V595 K596 W598 | T553-T588 HydrophobicContact CG2-CG2 4.31Å; H570-T588 WeakPolarHBondContact NE2-CB 3.49Å; H570-T588 PolarHBondContact NE2-OG1 2.7Å; V574-T588 HydrophobicContact CG1-CG2 4.43Å; K576-T588 WeakPolarHBondContact O-CA 3.42Å; V577-T588 HydrophobicContact CG2-CG2 3.85Å; T588-V595 CarbonylContact O-C 3.44Å; T588-V595 WeakPolarHBondContact O-CA 3.17Å; T588-K596 PolarHBondContact N-O 3.36Å; T588-K596 PolarHBondContact O-N 3.29Å; T588-K596 PolarHBondContact OG1-O 3.08Å; T588-W598 PolarHBondContact OG1-NE1 2.71Å |
| 589 | S | 93 | Very high | 89 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | V574 L575 K576 | V574-S589 WeakPolarHBondContact CG1-O 3.49Å; L575-S589 PolarHBondContact N-O 3.2Å; K576-S589 WeakPolarHBondContact CA-OG 3.17Å; K576-S589 WeakPolarHBondContact CB-OG 3.14Å; K576-S589 PolarHBondContact N-OG 3.46Å; K576-S589 PolarHBondContact O-N 2.87Å; K576-S589 PolarHBondContact O-OG 2.84Å |
| 590 | G | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 160.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D592 L594 V616 | G590-D592 VanDerWaalsContact CA-OD1 3.3Å; G590-D592 WeakPolarHBondContact CA-OD1 3.31Å; G590-D592 PolarHBondContact O-N 3.21Å; G590-L594 PolarHBondContact N-O 3.28Å; G590-V616 PolarHBondContact O-N 2.8Å |
| 591 | S | 92.2 | Very high | 88.8 | Confident | 22 Ų | 22 | 24.3 Ų | 24.3 | 15% | 0.154 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.7 | 167.1 | 61 | 0 | 0 | 0 | 0 | 113 | A572 S573 G593 K615 | A572-S591 WeakPolarHBondContact CB-OG 3.13Å; S573-S591 PolarHBondContact N-OG 2.58Å; S573-S591 PolarHBondContact O-N 3.17Å; S573-S591 PolarHBondContact O-OG 2.86Å; S573-S591 WeakPolarHBondContact OG-CB 3.39Å; S573-S591 PolarHBondContact OG-OG 2.76Å; S591-G593 VanDerWaalsContact C-N 3.26Å; S591-K615 WeakPolarHBondContact O-CG 3.26Å |
| 592 | D | 89.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 27.5 Ų | 27.5 | 25% | 0.251 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.9 | 174.1 | 55.8 | 0.8 | 0 | 0 | 0 | 112.9 | H570 A572 G590 L594 | H570-D592 IonicContact ND1-OD2 3.86Å; A572-D592 HydrophobicContact CB-CB 4.05Å; G590-D592 VanDerWaalsContact CA-OD1 3.3Å; G590-D592 WeakPolarHBondContact CA-OD1 3.31Å; G590-D592 PolarHBondContact O-N 3.21Å; D592-L594 VanDerWaalsContact C-N 3.27Å; D592-L594 WeakPolarHBondContact OD1-CB 3.33Å; D592-L594 PolarHBondContact OD1-N 2.59Å |
| 593 | G | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 86.5 | -6.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S591 D614 | S591-G593 VanDerWaalsContact C-N 3.26Å; G593-D614 VanDerWaalsContact CA-O 3.26Å; G593-D614 WeakPolarHBondContact CA-O 3.19Å |
| 594 | L | 92.5 | Very high | 89.6 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 142.7 | -174.6 | -58 | 178.1 | 0 | 0 | 0 | 111.9 | G590 D592 D610 | G590-L594 PolarHBondContact N-O 3.28Å; D592-L594 VanDerWaalsContact C-N 3.27Å; D592-L594 WeakPolarHBondContact OD1-CB 3.33Å; D592-L594 PolarHBondContact OD1-N 2.59Å; L594-D610 HydrophobicContact CD2-CB 3.81Å |
| 595 | V | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.1 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | L587 T588 L609 V616 L619 T630 | L587-V595 HydrophobicContact CD2-CG1 4.26Å; T588-V595 CarbonylContact O-C 3.44Å; T588-V595 WeakPolarHBondContact O-CA 3.17Å; V595-L609 HydrophobicContact CB-CB 4.24Å; V595-L609 HydrophobicContact CG1-CD1 4.39Å; V595-L609 PolarHBondContact N-O 3.28Å; V595-L609 WeakPolarHBondContact O-CB 3.48Å; V595-L609 PolarHBondContact O-N 3.32Å; V595-V616 HydrophobicContact CG2-CG1 4.22Å; V595-V616 HydrophobicContact CG2-CG2 4.34Å; V595-L619 HydrophobicContact CG1-CD1 4.23Å; V595-T630 HydrophobicContact CG2-CG2 3.92Å |
| 596 | K | 92.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 33 Ų | 33 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.8 | -176.2 | -56.5 | -168.4 | -175.8 | -166.4 | 0 | 111.1 | G569 T588 W598 T608 | G569-K596 PolarHBondContact O-NZ 2.74Å; T588-K596 PolarHBondContact N-O 3.36Å; T588-K596 PolarHBondContact O-N 3.29Å; T588-K596 PolarHBondContact OG1-O 3.08Å; K596-W598 HydrophobicContact CB-CZ2 4.1Å; K596-W598 HydrophobicContact CD-CZ2 3.98Å; K596-T608 HydrophobicContact CD-CG2 3.92Å; K596-T608 HydrophobicContact CG-CG2 3.98Å |
| 597 | L | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.1 | 173.9 | -179.5 | 64.6 | 0 | 0 | 0 | 110 | K9 Y12 Q585 L587 V606 K607 | K9-L597 HydrophobicContact CB-CD2 4.39Å; K9-L597 VanDerWaalsContact O-CD2 3.29Å; K9-L597 WeakPolarHBondContact O-CD2 3.46Å; Y12-L597 HydrophobicContact CD2-CD2 4.41Å; Y12-L597 HydrophobicContact CE2-CD2 4.24Å; Q585-L597 HydrophobicContact CB-CD1 4.13Å; L587-L597 HydrophobicContact CD2-CB 3.93Å; L587-L597 HydrophobicContact CD2-CD1 3.63Å; L587-L597 HydrophobicContact CD2-CG 4.35Å; L587-L597 HydrophobicContact CG-CD1 3.97Å; L597-V606 HydrophobicContact CG-CB 4.5Å; L597-V606 PolarHBondContact O-N 3.11Å; L597-K607 PolarHBondContact N-O 3.09Å |
| 598 | W | 91.4 | Very high | 89.5 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 145 | -177.5 | -53.4 | 85.1 | 0 | 0 | 0 | 111.1 | F567 E568 Q585 L586 T588 K596 C605 | F567-W598 HydrophobicContact CB-CD2 4.42Å; F567-W598 HydrophobicContact CB-CE3 4.36Å; F567-W598 HydrophobicContact CB-CZ3 4.49Å; F567-W598 HydrophobicContact CD1-CB 4.22Å; F567-W598 HydrophobicContact CD1-CD2 4.04Å; F567-W598 AromaticContact CD1-CE3 3.72Å; F567-W598 HydrophobicContact CD1-CE3 3.72Å; F567-W598 HydrophobicContact CD1-CG 4.27Å; F567-W598 HydrophobicContact CD1-CZ3 4.41Å; F567-W598 HydrophobicContact CE1-CB 4.14Å; F567-W598 HydrophobicContact CG-CD2 4.49Å; F567-W598 HydrophobicContact CG-CE3 4.44Å; E568-W598 WeakPolarHBondContact O-CH2 3.48Å; Q585-W598 CarbonylContact C-O 3.59Å; Q585-W598 VanDerWaalsContact CA-O 3.24Å; Q585-W598 WeakPolarHBondContact CA-O 3.32Å; Q585-W598 WeakPolarHBondContact CB-O 3.45Å; L586-W598 HydrophobicContact CB-CB 4.24Å; L586-W598 PolarHBondContact N-O 3.38Å; L586-W598 PolarHBondContact O-N 2.91Å; T588-W598 PolarHBondContact OG1-NE1 2.71Å; K596-W598 HydrophobicContact CB-CZ2 4.1Å; K596-W598 HydrophobicContact CD-CZ2 3.98Å; W598-C605 HydrophobicContact CD2-CB 4.33Å; W598-C605 HydrophobicContact CE3-CB 3.8Å; W598-C605 HydrophobicContact CH2-CB 3.93Å; W598-C605 HydrophobicContact CZ2-CB 4.45Å; W598-C605 HydrophobicContact CZ3-CB 3.59Å |
| 599 | T | 89.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.5 | 169.7 | -64.6 | 0 | 0 | 0 | 0 | 110.1 | F8 K601 N603 E604 V606 | F8-T599 HydrophobicContact CD1-CG2 4.43Å; F8-T599 HydrophobicContact CE1-CG2 4.18Å; T599-K601 VanDerWaalsContact C-N 3.31Å; T599-K601 HydrophobicContact CG2-CB 4.45Å; T599-K601 PolarHBondContact O-N 2.92Å; T599-N603 WeakPolarHBondContact O-CA 3.12Å; T599-N603 PolarHBondContact O-N 2.77Å; T599-E604 PolarHBondContact N-O 3.09Å; T599-E604 VanDerWaalsContact N-O 3.14Å; T599-V606 WeakPolarHBondContact OG1-CG2 3.43Å |
| 600 | I | 87.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -34.9 | -173.5 | -61.1 | 177.4 | 0 | 0 | 0 | 111.5 | L555 K565 F567 F579 G583 T584 L586 | L555-I600 HydrophobicContact CD1-CD1 4.25Å; L555-I600 HydrophobicContact CD1-CG1 4.23Å; L555-I600 HydrophobicContact CD1-CG2 3.65Å; K565-I600 WeakPolarHBondContact CD-O 3.4Å; K565-I600 VanDerWaalsContact CE-O 3.32Å; K565-I600 WeakPolarHBondContact CE-O 3.4Å; K565-I600 PolarHBondContact NZ-O 3.5Å; F567-I600 HydrophobicContact CZ-CG1 4.4Å; F579-I600 HydrophobicContact CD1-CD1 4.03Å; F579-I600 HydrophobicContact CE1-CD1 3.68Å; G583-I600 WeakPolarHBondContact O-CD1 3.27Å; T584-I600 WeakPolarHBondContact O-CB 3.27Å; T584-I600 WeakPolarHBondContact O-CG1 3.47Å; T584-I600 PolarHBondContact O-N 2.95Å; T584-I600 VanDerWaalsContact O-N 3.12Å; L586-I600 HydrophobicContact CD1-CD1 4.16Å; L586-I600 HydrophobicContact CD1-CG1 3.86Å; L586-I600 HydrophobicContact CG-CD1 3.94Å; L586-I600 HydrophobicContact CG-CG1 3.88Å |
| 601 | K | 85 | Confident | 88.8 | Confident | 157 Ų | 157 | 48.8 Ų | 48.8 | 68% | 0.683 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -51.7 | -177.8 | -69.1 | -173.5 | 178.8 | -179.3 | 0 | 112.2 | K565 T599 | K565-K601 PolarHBondContact NZ-O 3.04Å; T599-K601 VanDerWaalsContact C-N 3.31Å; T599-K601 HydrophobicContact CG2-CB 4.45Å; T599-K601 PolarHBondContact O-N 2.92Å |
| 602 | T | 82.7 | Confident | 88.5 | Confident | 74 Ų | 74 | 48 Ų | 48 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.3 | -176 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | E604 | T602-E604 WeakPolarHBondContact CB-OE2 3.47Å; T602-E604 PolarHBondContact O-N 3Å; T602-E604 PolarHBondContact OG1-OE2 2.95Å |
| 603 | N | 84.3 | Confident | 88.4 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | trans | 65.4 | 17.7 | -174 | -152.2 | 52 | 0 | 0 | 0 | 114.1 | T566 F567 T599 | T566-N603 PolarHBondContact O-ND2 3.12Å; F567-N603 VanDerWaalsContact CD1-OD1 3.23Å; F567-N603 WeakPolarHBondContact CD1-OD1 3.27Å; F567-N603 WeakPolarHBondContact CE1-OD1 3.42Å; T599-N603 WeakPolarHBondContact O-CA 3.12Å; T599-N603 PolarHBondContact O-N 2.77Å | ||
| 604 | E | 87.9 | Confident | 88.4 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 58% | 0.575 | 30% | 0.301 | S | S | * | . | trans | -102.3 | 150 | -175.6 | -67.7 | 162.7 | 170.1 | 0 | 0 | 111.4 | T599 T602 | T599-E604 PolarHBondContact N-O 3.09Å; T599-E604 VanDerWaalsContact N-O 3.14Å; T602-E604 WeakPolarHBondContact CB-OE2 3.47Å; T602-E604 PolarHBondContact O-N 3Å; T602-E604 PolarHBondContact OG1-OE2 2.95Å | ||
| 605 | C | 86.8 | Confident | 88.4 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.2 | 168 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | W598 | W598-C605 HydrophobicContact CD2-CB 4.33Å; W598-C605 HydrophobicContact CE3-CB 3.8Å; W598-C605 HydrophobicContact CH2-CB 3.93Å; W598-C605 HydrophobicContact CZ2-CB 4.45Å; W598-C605 HydrophobicContact CZ3-CB 3.59Å |
| 606 | V | 86.8 | Confident | 88.5 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -43.9 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | T10 L597 T599 | T10-V606 HydrophobicContact CG2-CG1 4.48Å; L597-V606 HydrophobicContact CG-CB 4.5Å; L597-V606 PolarHBondContact O-N 3.11Å; T599-V606 WeakPolarHBondContact OG1-CG2 3.43Å |
| 607 | K | 86.6 | Confident | 88.4 | Confident | 95 Ų | 95 | 62.8 Ų | 62.8 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 139.4 | -176.4 | -161.9 | 73.4 | 176.5 | -175.5 | 0 | 111.1 | T10 L597 L609 | T10-K607 WeakPolarHBondContact O-CB 3.12Å; L597-K607 PolarHBondContact N-O 3.09Å; K607-L609 HydrophobicContact CG-CD2 3.97Å |
| 608 | T | 91.1 | Very high | 88.2 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.1 | 165.7 | 52.9 | 0 | 0 | 0 | 0 | 108.5 | K596 | K596-T608 HydrophobicContact CD-CG2 3.92Å; K596-T608 HydrophobicContact CG-CG2 3.98Å |
| 609 | L | 89.1 | Confident | 88.2 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.1 | 179.1 | -58.2 | 170.9 | 0 | 0 | 0 | 108.3 | Y12 V595 K607 M628 W640 | Y12-L609 HydrophobicContact CD2-CD1 4.42Å; Y12-L609 WeakPolarHBondContact O-CD2 3.33Å; V595-L609 HydrophobicContact CB-CB 4.24Å; V595-L609 HydrophobicContact CG1-CD1 4.39Å; V595-L609 PolarHBondContact N-O 3.28Å; V595-L609 WeakPolarHBondContact O-CB 3.48Å; V595-L609 PolarHBondContact O-N 3.32Å; K607-L609 HydrophobicContact CG-CD2 3.97Å; L609-M628 HydrophobicContact CD1-CE 3.27Å; L609-W640 HydrophobicContact CB-CH2 3.79Å; L609-W640 HydrophobicContact CB-CZ2 4.31Å; L609-W640 HydrophobicContact CB-CZ3 4.09Å; L609-W640 HydrophobicContact CD1-CE3 4.4Å; L609-W640 HydrophobicContact CD1-CZ3 4.37Å; L609-W640 HydrophobicContact CD2-CZ3 4.04Å; L609-W640 HydrophobicContact CG-CZ3 4.41Å |
| 610 | D | 89.9 | Confident | 88.2 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 66% | 0.658 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.3 | 179.8 | -175.8 | 10.1 | 0 | 0 | 0 | 108.9 | L594 | L594-D610 HydrophobicContact CD2-CB 3.81Å |
| 611 | A | 85.6 | Confident | 88.1 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | trans | -147.2 | -6.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V14 T638 W640 | V14-A611 HydrophobicContact CG2-CB 4.34Å; A611-T638 HydrophobicContact CB-CG2 4.39Å; A611-W640 HydrophobicContact CB-CH2 3.43Å; A611-W640 VanDerWaalsContact CB-CH2 3.43Å; A611-W640 HydrophobicContact CB-CZ2 3.5Å; A611-W640 VanDerWaalsContact CB-CZ2 3.5Å | ||
| 612 | H | 87 | Confident | 88 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | trans | -117.8 | 141.4 | -175.8 | -61.6 | -71.4 | 0 | 0 | 0 | 109.1 | V616 T630 S632 D634 T638 | H612-V616 HydrophobicContact CB-CG2 3.93Å; H612-V616 VanDerWaalsContact CD2-CG2 3.45Å; H612-V616 WeakPolarHBondContact CD2-CG2 3.36Å; H612-T630 WeakPolarHBondContact NE2-CB 3.47Å; H612-T630 PolarHBondContact NE2-OG1 3.38Å; H612-S632 VanDerWaalsContact ND1-CB 3.3Å; H612-S632 WeakPolarHBondContact ND1-CB 3.2Å; H612-D634 IonicContact ND1-OD1 2.66Å; H612-T638 PolarHBondContact CE1-OG1 3.03Å; H612-T638 PolarHBondContact NE2-OG1 3.09Å | ||
| 613 | Q | 86.6 | Confident | 87.5 | Confident | 182 Ų | 182 | 57.5 Ų | 57.5 | 85% | 0.85 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -88.4 | -18.2 | 179.7 | -65.6 | -177.3 | -11.7 | 0 | 0 | 112.9 | D634 | Q613-D634 PolarHBondContact N-OD2 3.12Š|
| 614 | D | 89.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -135.3 | -175 | -176.6 | -157.2 | -8.2 | 0 | 0 | 0 | 110.5 | G593 V616 S632 A633 D634 | G593-D614 VanDerWaalsContact CA-O 3.26Å; G593-D614 WeakPolarHBondContact CA-O 3.19Å; D614-V616 PolarHBondContact O-N 2.94Å; D614-S632 PolarHBondContact O-OG 2.92Å; D614-A633 HydrophobicContact CB-CB 4.14Å; D614-D634 HydrophobicContact CB-CB 4.14Å |
| 615 | K | 91.8 | Very high | 86.3 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -53.7 | 130.8 | -173.7 | -63.3 | 169.3 | -171.4 | 162.4 | 0 | 113 | L575 S591 W617 S632 A633 | L575-K615 HydrophobicContact CD1-CB 4.26Å; S591-K615 WeakPolarHBondContact O-CG 3.26Å; K615-W617 HydrophobicContact CD-CZ2 4.19Å; K615-W617 PolarHBondContact O-N 3.03Å; K615-S632 CarbonylContact O-C 3.54Å; K615-S632 VanDerWaalsContact O-CA 3.29Å; K615-S632 WeakPolarHBondContact O-CA 3.35Å; K615-S632 PolarHBondContact O-OG 2.79Å; K615-A633 HydrophobicContact CB-CB 4.4Å; K615-A633 PolarHBondContact O-N 2.95Å | ||
| 616 | V | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 100.8 | 174 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | L575 G590 V595 H612 D614 G618 T630 | L575-V616 WeakPolarHBondContact CD1-O 3.5Å; G590-V616 PolarHBondContact O-N 2.8Å; V595-V616 HydrophobicContact CG2-CG1 4.22Å; V595-V616 HydrophobicContact CG2-CG2 4.34Å; H612-V616 HydrophobicContact CB-CG2 3.93Å; H612-V616 VanDerWaalsContact CD2-CG2 3.45Å; H612-V616 WeakPolarHBondContact CD2-CG2 3.36Å; D614-V616 PolarHBondContact O-N 2.94Å; V616-G618 WeakPolarHBondContact CG1-O 3.32Å; V616-T630 HydrophobicContact CG1-CG2 4.28Å |
| 617 | W | 91.6 | Very high | 85.9 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -40.6 | 177.9 | -64.2 | 107.2 | 0 | 0 | 0 | 112.8 | V347 L348 L575 K576 K615 G631 | V347-W617 WeakPolarHBondContact O-CB 3.47Å; L348-W617 WeakPolarHBondContact O-CB 3.31Å; L575-W617 HydrophobicContact CD1-CD2 4.03Å; L575-W617 HydrophobicContact CD1-CE3 3.75Å; L575-W617 HydrophobicContact CD1-CZ3 4Å; L575-W617 HydrophobicContact CD2-CE3 4.35Å; L575-W617 HydrophobicContact CD2-CZ3 3.94Å; L575-W617 HydrophobicContact CG-CE3 4.48Å; K576-W617 WeakPolarHBondContact CD-O 3.33Å; K615-W617 HydrophobicContact CD-CZ2 4.19Å; K615-W617 PolarHBondContact O-N 3.03Å; W617-G631 PolarHBondContact N-O 2.99Å; W617-G631 VanDerWaalsContact N-O 3.14Å |
| 618 | G | 87.1 | Confident | 86 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V616 T630 G631 | V616-G618 WeakPolarHBondContact CG1-O 3.32Å; G618-T630 CarbonylContact O-C 3.52Å; G618-T630 WeakPolarHBondContact O-CA 3.42Å; G618-G631 PolarHBondContact N-O 3.31Å; G618-G631 PolarHBondContact O-N 3.26Å |
| 619 | L | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.7 | 169.7 | 179.3 | 75.2 | 0 | 0 | 0 | 107.1 | K576 I578 L587 V595 V629 T630 | K576-L619 HydrophobicContact CB-CB 4.28Å; K576-L619 HydrophobicContact CD-CB 4.13Å; K576-L619 HydrophobicContact CG-CB 4.44Å; I578-L619 HydrophobicContact CB-CD2 4.2Å; I578-L619 HydrophobicContact CD1-CB 4.01Å; I578-L619 HydrophobicContact CD1-CD2 3.9Å; I578-L619 HydrophobicContact CD1-CG 3.68Å; I578-L619 WeakPolarHBondContact CD1-O 3.38Å; I578-L619 HydrophobicContact CG1-CD2 4.35Å; L587-L619 HydrophobicContact CB-CD2 3.78Å; V595-L619 HydrophobicContact CG1-CD1 4.23Å; L619-V629 CarbonylContact C-O 3.58Å; L619-V629 WeakPolarHBondContact CA-O 3.3Å; L619-T630 HydrophobicContact CD1-CG2 3.39Å |
| 620 | H | 89.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 133.1 | 172.1 | -166.5 | 59.3 | 0 | 0 | 0 | 112.9 | V350 K351 F352 I578 M628 V629 | V350-H620 VanDerWaalsContact O-CB 3.29Å; V350-H620 WeakPolarHBondContact O-CB 3.15Å; K351-H620 HydrophobicContact CD-CB 4.07Å; F352-H620 AromaticContact CD2-CD2 3.51Å; F352-H620 PolarHBondContact N-CD2 2.87Å; I578-H620 VanDerWaalsContact CD1-CA 3.47Å; H620-M628 CarbonylContact O-C 3.57Å; H620-M628 VanDerWaalsContact O-CA 3.32Å; H620-M628 WeakPolarHBondContact O-CA 3.37Å; H620-V629 PolarHBondContact N-O 3Å; H620-V629 PolarHBondContact O-N 3.33Å |
| 621 | G | 85.7 | Confident | 86.2 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 145.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 622 | S | 82.2 | Confident | 86.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | trans | -61.3 | 156.2 | 168 | 167.1 | 0 | 0 | 0 | 0 | 110.8 | D357 K624 D625 K627 | D357-S622 WeakPolarHBondContact OD2-CA 3.35Å; D357-S622 WeakPolarHBondContact OD2-CB 3.4Å; D357-S622 PolarHBondContact OD2-OG 3.2Å; S622-K624 PolarHBondContact O-N 2.78Å; S622-K624 PolarHBondContact OG-N 2.73Å; S622-D625 WeakPolarHBondContact O-CA 3.15Å; S622-D625 PolarHBondContact O-N 3.35Å; S622-K627 WeakPolarHBondContact CB-O 3.35Å; S622-K627 PolarHBondContact N-O 2.94Å | ||
| 623 | R | 72.5 | Confident | 86.6 | Confident | 112 Ų | 112 | 43 Ų | 43 | 42% | 0.423 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.2 | 177.4 | -65.5 | 179.2 | -178 | 161.1 | 6.5 | 114.2 | D357 F395 K396 D625 | D357-R623 PolarHBondContact OD2-N 3.19Å; F395-R623 PolarHBondContact O-NH2 3.28Å; F395-R623 VanDerWaalsContact O-NH2 3.1Å; K396-R623 PolarHBondContact O-NE 2.78Å; K396-R623 PolarHBondContact O-NH1 2.81Å; K396-R623 PolarHBondContact O-NH2 2.8Å; R623-D625 VanDerWaalsContact C-N 3.32Å |
| 624 | K | 72.6 | Confident | 86.5 | Confident | 141 Ų | 141 | 35.6 Ų | 35.6 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.8 | 176.7 | -66 | 176.9 | -177.2 | 166.6 | 0 | 111.7 | S622 D626 | S622-K624 PolarHBondContact O-N 2.78Å; S622-K624 PolarHBondContact OG-N 2.73Å; K624-D626 PolarHBondContact O-N 3.49Å; K624-D626 VanDerWaalsContact O-N 3.12Å |
| 625 | D | 74.3 | Confident | 86.4 | Confident | 29 Ų | 29 | 32.3 Ų | 32.3 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 61.9 | 2.8 | -174.4 | -60 | -35.4 | 0 | 0 | 0 | 115.1 | K9 Y12 V580 S581 S622 R623 K627 | K9-D625 VanDerWaalsContact NZ-C 3.25Å; K9-D625 PolarHBondContact NZ-O 3.18Å; Y12-D625 PolarHBondContact OH-O 3.47Å; V580-D625 HydrophobicContact CG1-CB 3.98Å; S581-D625 WeakPolarHBondContact CA-OD2 3.38Å; S581-D625 PolarHBondContact N-OD2 3.02Å; S622-D625 WeakPolarHBondContact O-CA 3.15Å; S622-D625 PolarHBondContact O-N 3.35Å; R623-D625 VanDerWaalsContact C-N 3.32Å; D625-K627 PolarHBondContact O-N 3.06Å |
| 626 | D | 79.1 | Confident | 86.2 | Confident | 79 Ų | 79 | 28.6 Ų | 28.6 | 42% | 0.422 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -69.8 | -31.7 | -176.7 | -62.8 | -30.2 | 0 | 0 | 0 | 113.2 | K624 D642 | K624-D626 PolarHBondContact O-N 3.49Å; K624-D626 VanDerWaalsContact O-N 3.12Å; D626-D642 PolarHBondContact O-N 3.22Å |
| 627 | K | 86.6 | Confident | 86 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 30% | 0.3 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.8 | 178.1 | -67.3 | 174.4 | -177.3 | 179.1 | 0 | 110.2 | F352 S622 D625 W640 L641 | F352-K627 HydrophobicContact CE2-CB 4.35Å; F352-K627 HydrophobicContact CZ-CB 3.78Å; S622-K627 WeakPolarHBondContact CB-O 3.35Å; S622-K627 PolarHBondContact N-O 2.94Å; D625-K627 PolarHBondContact O-N 3.06Å; K627-W640 CarbonylContact C-O 3.57Å; K627-W640 VanDerWaalsContact CA-O 3.23Å; K627-W640 WeakPolarHBondContact CA-O 3.49Å; K627-L641 HydrophobicContact CD-CD2 4.26Å; K627-L641 HydrophobicContact CG-CD2 3.45Å; K627-L641 VanDerWaalsContact CG-CD2 3.45Å; K627-L641 HydrophobicContact CG-CG 4.31Å |
| 628 | M | 89.6 | Confident | 86 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.7 | 164.1 | 63.5 | 174.5 | -175.1 | 0 | 0 | 110.2 | Y12 L587 L609 H620 V639 W640 | Y12-M628 HydrophobicContact CD1-CE 3.81Å; Y12-M628 HydrophobicContact CD1-CG 4.01Å; Y12-M628 HydrophobicContact CD1-SD 4.05Å; Y12-M628 HydrophobicContact CD2-CE 3.71Å; Y12-M628 HydrophobicContact CD2-SD 4.06Å; Y12-M628 HydrophobicContact CE1-CE 4.49Å; Y12-M628 HydrophobicContact CE1-CG 4.07Å; Y12-M628 HydrophobicContact CE1-SD 4.16Å; Y12-M628 HydrophobicContact CE2-CE 4.41Å; Y12-M628 HydrophobicContact CE2-SD 4.17Å; Y12-M628 HydrophobicContact CG-CE 3.35Å; Y12-M628 HydrophobicContact CG-CG 4.48Å; Y12-M628 HydrophobicContact CG-SD 3.99Å; L587-M628 HydrophobicContact CD1-SD 3.44Å; L587-M628 WeakPolarHBondContact CD1-SD 3.47Å; L587-M628 HydrophobicContact CD2-SD 4.15Å; L587-M628 HydrophobicContact CG-SD 4.48Å; L609-M628 HydrophobicContact CD1-CE 3.27Å; H620-M628 CarbonylContact O-C 3.57Å; H620-M628 VanDerWaalsContact O-CA 3.32Å; H620-M628 WeakPolarHBondContact O-CA 3.37Å; M628-V639 CarbonylContact O-C 3.59Å; M628-V639 WeakPolarHBondContact O-CA 3.05Å; M628-W640 HydrophobicContact CE-CB 3.45Å; M628-W640 VanDerWaalsContact CE-CB 3.45Å; M628-W640 HydrophobicContact CE-CD2 3.57Å; M628-W640 HydrophobicContact CE-CE3 4.1Å; M628-W640 HydrophobicContact CE-CG 3.26Å; M628-W640 HydrophobicContact CG-CB 3.5Å; M628-W640 VanDerWaalsContact CG-CB 3.5Å; M628-W640 HydrophobicContact CG-CG 3.82Å; M628-W640 PolarHBondContact N-O 2.84Å; M628-W640 PolarHBondContact O-N 2.87Å; M628-W640 HydrophobicContact SD-CB 4.35Å; M628-W640 HydrophobicContact SD-CG 4.35Å |
| 629 | V | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.8 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | V350 F352 I360 L619 H620 I637 T638 V639 | V350-V629 HydrophobicContact CB-CG1 3.98Å; V350-V629 HydrophobicContact CG1-CB 4.31Å; V350-V629 HydrophobicContact CG1-CG1 3.31Å; F352-V629 HydrophobicContact CD1-CG2 4.47Å; F352-V629 HydrophobicContact CE1-CG2 3.54Å; F352-V629 HydrophobicContact CE2-CB 4.23Å; F352-V629 HydrophobicContact CE2-CG2 3.85Å; F352-V629 HydrophobicContact CZ-CB 4.05Å; F352-V629 HydrophobicContact CZ-CG2 3.19Å; I360-V629 HydrophobicContact CG2-CG2 4.28Å; L619-V629 CarbonylContact C-O 3.58Å; L619-V629 WeakPolarHBondContact CA-O 3.3Å; H620-V629 PolarHBondContact N-O 3Å; H620-V629 PolarHBondContact O-N 3.33Å; V629-I637 HydrophobicContact CG1-CG2 3.64Å; V629-T638 WeakPolarHBondContact CA-O 3.1Å; V629-V639 HydrophobicContact CG2-CB 4.15Å; V629-V639 HydrophobicContact CG2-CG1 4.06Å; V629-V639 HydrophobicContact CG2-CG2 3.79Å |
| 630 | T | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.4 | 174.3 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | V595 H612 V616 G618 L619 I637 T638 W640 | V595-T630 HydrophobicContact CG2-CG2 3.92Å; H612-T630 WeakPolarHBondContact NE2-CB 3.47Å; H612-T630 PolarHBondContact NE2-OG1 3.38Å; V616-T630 HydrophobicContact CG1-CG2 4.28Å; G618-T630 CarbonylContact O-C 3.52Å; G618-T630 WeakPolarHBondContact O-CA 3.42Å; L619-T630 HydrophobicContact CD1-CG2 3.39Å; T630-I637 WeakPolarHBondContact O-CA 3.34Å; T630-T638 PolarHBondContact N-O 3.06Å; T630-T638 PolarHBondContact O-N 2.99Å; T630-T638 PolarHBondContact OG1-O 3.02Å; T630-T638 PolarHBondContact OG1-OG1 3.47Å; T630-W640 PolarHBondContact OG1-NE1 3.16Å |
| 631 | G | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W617 G618 | W617-G631 PolarHBondContact N-O 2.99Å; W617-G631 VanDerWaalsContact N-O 3.14Å; G618-G631 PolarHBondContact N-O 3.31Å; G618-G631 PolarHBondContact O-N 3.26Å |
| 632 | S | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 163.6 | -172.3 | 159.5 | 0 | 0 | 0 | 0 | 111.9 | V347 H612 D614 K615 D634 N636 | V347-S632 PolarHBondContact N-O 2.88Å; H612-S632 VanDerWaalsContact ND1-CB 3.3Å; H612-S632 WeakPolarHBondContact ND1-CB 3.2Å; D614-S632 PolarHBondContact O-OG 2.92Å; K615-S632 CarbonylContact O-C 3.54Å; K615-S632 VanDerWaalsContact O-CA 3.29Å; K615-S632 WeakPolarHBondContact O-CA 3.35Å; K615-S632 PolarHBondContact O-OG 2.79Å; S632-D634 WeakPolarHBondContact CB-OD1 3.29Å; S632-D634 PolarHBondContact O-N 3.5Å; S632-D634 PolarHBondContact OG-N 3.02Å; S632-D634 PolarHBondContact OG-OD1 3.29Å; S632-N636 PolarHBondContact N-O 3.17Å |
| 633 | A | 89.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E346 D614 K615 S635 | E346-A633 HydrophobicContact CG-CB 4.24Å; D614-A633 HydrophobicContact CB-CB 4.14Å; K615-A633 HydrophobicContact CB-CB 4.4Å; K615-A633 PolarHBondContact O-N 2.95Å; A633-S635 PolarHBondContact O-N 3Å |
| 634 | D | 85.2 | Confident | 86.1 | Confident | 26 Ų | 26 | 24.9 Ų | 24.9 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 16.3 | 176.1 | 75.1 | -15.3 | 0 | 0 | 0 | 114.4 | H612 Q613 D614 S632 N636 | H612-D634 IonicContact ND1-OD1 2.66Å; Q613-D634 PolarHBondContact N-OD2 3.12Å; D614-D634 HydrophobicContact CB-CB 4.14Å; S632-D634 WeakPolarHBondContact CB-OD1 3.29Å; S632-D634 PolarHBondContact O-N 3.5Å; S632-D634 PolarHBondContact OG-N 3.02Å; S632-D634 PolarHBondContact OG-OD1 3.29Å; D634-N636 VanDerWaalsContact CG-ND2 3.31Å; D634-N636 PolarHBondContact O-N 2.49Å; D634-N636 VanDerWaalsContact O-N 3.09Å; D634-N636 VanDerWaalsContact OD1-CB 3.3Å; D634-N636 WeakPolarHBondContact OD1-CB 3.35Å; D634-N636 PolarHBondContact OD1-N 3.25Å; D634-N636 VanDerWaalsContact OD1-N 3.08Å; D634-N636 PolarHBondContact OD2-ND2 3.46Å |
| 635 | S | 86.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 68.7 | -4.8 | -178.2 | -54.2 | 0 | 0 | 0 | 0 | 115.5 | Y343 N344 A633 | Y343-S635 WeakPolarHBondContact CE2-OG 3.4Å; Y343-S635 VanDerWaalsContact CZ-OG 3.26Å; Y343-S635 PolarHBondContact OH-OG 2.96Å; N344-S635 WeakPolarHBondContact O-CA 3.29Å; N344-S635 WeakPolarHBondContact O-CB 3.34Å; N344-S635 PolarHBondContact O-OG 3.22Å; A633-S635 PolarHBondContact O-N 3Å |
| 636 | N | 88.3 | Confident | 86.6 | Confident | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | trans | -86.1 | 140.2 | -175.2 | -65.3 | -40.9 | 0 | 0 | 0 | 111.4 | K17 P20 S632 D634 | K17-N636 WeakPolarHBondContact CE-ND2 3.43Å; K17-N636 PolarHBondContact NZ-ND2 3.27Å; P20-N636 WeakPolarHBondContact CD-OD1 3.39Å; S632-N636 PolarHBondContact N-O 3.17Å; D634-N636 VanDerWaalsContact CG-ND2 3.31Å; D634-N636 PolarHBondContact O-N 2.49Å; D634-N636 VanDerWaalsContact O-N 3.09Å; D634-N636 VanDerWaalsContact OD1-CB 3.3Å; D634-N636 WeakPolarHBondContact OD1-CB 3.35Å; D634-N636 PolarHBondContact OD1-N 3.25Å; D634-N636 VanDerWaalsContact OD1-N 3.08Å; D634-N636 PolarHBondContact OD2-ND2 3.46Å | ||
| 637 | I | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.3 | 169.9 | -51.6 | 173.8 | 0 | 0 | 0 | 107.6 | K17 I18 V347 I360 V362 F372 V629 T630 | K17-I637 WeakPolarHBondContact CA-O 3.47Å; I18-I637 HydrophobicContact CB-CB 4.22Å; I18-I637 PolarHBondContact N-O 3.33Å; I18-I637 PolarHBondContact O-N 3.5Å; I18-I637 VanDerWaalsContact O-N 3.08Å; V347-I637 HydrophobicContact CG2-CD1 4.27Å; V347-I637 HydrophobicContact CG2-CG1 4.08Å; I360-I637 HydrophobicContact CD1-CG2 4.21Å; V362-I637 HydrophobicContact CB-CD1 4.23Å; V362-I637 HydrophobicContact CG1-CD1 3.65Å; V362-I637 HydrophobicContact CG2-CD1 3.52Å; F372-I637 HydrophobicContact CE2-CD1 4.33Å; V629-I637 HydrophobicContact CG1-CG2 3.64Å; T630-I637 WeakPolarHBondContact O-CA 3.34Å |
| 638 | T | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.7 | 178 | 48.9 | 0 | 0 | 0 | 0 | 109.7 | V14 K17 A611 H612 V629 T630 W640 | V14-T638 HydrophobicContact CG1-CG2 4.44Å; K17-T638 HydrophobicContact CB-CG2 4.27Å; K17-T638 HydrophobicContact CD-CG2 3.97Å; K17-T638 HydrophobicContact CG-CG2 3.68Å; A611-T638 HydrophobicContact CB-CG2 4.39Å; H612-T638 PolarHBondContact CE1-OG1 3.03Å; H612-T638 PolarHBondContact NE2-OG1 3.09Å; V629-T638 WeakPolarHBondContact CA-O 3.1Å; T630-T638 PolarHBondContact N-O 3.06Å; T630-T638 PolarHBondContact O-N 2.99Å; T630-T638 PolarHBondContact OG1-O 3.02Å; T630-T638 PolarHBondContact OG1-OG1 3.47Å; T638-W640 PolarHBondContact OG1-NE1 2.9Å |
| 639 | V | 89.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.9 | 168.7 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | S15 S16 L374 M628 V629 | S15-V639 WeakPolarHBondContact CA-O 3.18Å; S15-V639 WeakPolarHBondContact CB-O 3.49Å; S15-V639 PolarHBondContact N-O 3.22Å; S16-V639 PolarHBondContact N-O 3.34Å; S16-V639 PolarHBondContact O-N 2.86Å; S16-V639 WeakPolarHBondContact OG-CB 3.3Å; S16-V639 WeakPolarHBondContact OG-CG2 3.4Å; L374-V639 HydrophobicContact CD2-CG2 3.8Å; M628-V639 CarbonylContact O-C 3.59Å; M628-V639 WeakPolarHBondContact O-CA 3.05Å; V629-V639 HydrophobicContact CG2-CB 4.15Å; V629-V639 HydrophobicContact CG2-CG1 4.06Å; V629-V639 HydrophobicContact CG2-CG2 3.79Å |
| 640 | W | 89.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.4 | 177.5 | -48.6 | 75.8 | 0 | 0 | 0 | 110.7 | Y12 A13 V14 L609 A611 K627 M628 T630 T638 | Y12-W640 HydrophobicContact CD1-CB 4.27Å; A13-W640 CarbonylContact O-C 3.56Å; A13-W640 VanDerWaalsContact O-CA 3.22Å; A13-W640 WeakPolarHBondContact O-CA 3.35Å; V14-W640 HydrophobicContact CB-CE3 4.49Å; V14-W640 HydrophobicContact CG2-CD2 4.15Å; V14-W640 HydrophobicContact CG2-CE3 3.63Å; V14-W640 HydrophobicContact CG2-CH2 3.67Å; V14-W640 HydrophobicContact CG2-CZ2 4.19Å; V14-W640 HydrophobicContact CG2-CZ3 3.37Å; L609-W640 HydrophobicContact CB-CH2 3.79Å; L609-W640 HydrophobicContact CB-CZ2 4.31Å; L609-W640 HydrophobicContact CB-CZ3 4.09Å; L609-W640 HydrophobicContact CD1-CE3 4.4Å; L609-W640 HydrophobicContact CD1-CZ3 4.37Å; L609-W640 HydrophobicContact CD2-CZ3 4.04Å; L609-W640 HydrophobicContact CG-CZ3 4.41Å; A611-W640 HydrophobicContact CB-CH2 3.43Å; A611-W640 VanDerWaalsContact CB-CH2 3.43Å; A611-W640 HydrophobicContact CB-CZ2 3.5Å; A611-W640 VanDerWaalsContact CB-CZ2 3.5Å; K627-W640 CarbonylContact C-O 3.57Å; K627-W640 VanDerWaalsContact CA-O 3.23Å; K627-W640 WeakPolarHBondContact CA-O 3.49Å; M628-W640 HydrophobicContact CE-CB 3.45Å; M628-W640 VanDerWaalsContact CE-CB 3.45Å; M628-W640 HydrophobicContact CE-CD2 3.57Å; M628-W640 HydrophobicContact CE-CE3 4.1Å; M628-W640 HydrophobicContact CE-CG 3.26Å; M628-W640 HydrophobicContact CG-CB 3.5Å; M628-W640 VanDerWaalsContact CG-CB 3.5Å; M628-W640 HydrophobicContact CG-CG 3.82Å; M628-W640 PolarHBondContact N-O 2.84Å; M628-W640 PolarHBondContact O-N 2.87Å; M628-W640 HydrophobicContact SD-CB 4.35Å; M628-W640 HydrophobicContact SD-CG 4.35Å; T630-W640 PolarHBondContact OG1-NE1 3.16Å; T638-W640 PolarHBondContact OG1-NE1 2.9Å |
| 641 | L | 87 | Confident | 85.8 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143 | 172.8 | -83.2 | 167.6 | 0 | 0 | 0 | 109.8 | Y12 A13 S15 K627 V643 | Y12-L641 CarbonylContact C-O 3.44Å; Y12-L641 WeakPolarHBondContact CA-O 3.5Å; A13-L641 PolarHBondContact N-O 3.38Å; A13-L641 PolarHBondContact O-N 3.28Å; S15-L641 VanDerWaalsContact CB-CD1 3.4Å; S15-L641 WeakPolarHBondContact OG-CD1 3.22Å; K627-L641 HydrophobicContact CD-CD2 4.26Å; K627-L641 HydrophobicContact CG-CD2 3.45Å; K627-L641 VanDerWaalsContact CG-CD2 3.45Å; K627-L641 HydrophobicContact CG-CG 4.31Å; L641-V643 PolarHBondContact O-N 2.53Å |
| 642 | D | 84.6 | Confident | 85.6 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.7 | 171.5 | -176.6 | -8 | 0 | 0 | 0 | 110.5 | K9 Y12 D626 T644 | K9-D642 VanDerWaalsContact CD-OD2 3.3Å; K9-D642 WeakPolarHBondContact CD-OD2 3.15Å; K9-D642 WeakPolarHBondContact CE-OD2 3.39Å; K9-D642 WeakPolarHBondContact CG-OD2 3.3Å; K9-D642 IonicContact NZ-OD2 2.63Å; K9-D642 PolarHBondContact NZ-OD2 3.46Å; Y12-D642 HydrophobicContact CD1-CB 4.23Å; Y12-D642 HydrophobicContact CE1-CB 3.97Å; D626-D642 PolarHBondContact O-N 3.22Å; D642-T644 VanDerWaalsContact OD1-CB 3.24Å; D642-T644 WeakPolarHBondContact OD1-CB 3.48Å; D642-T644 WeakPolarHBondContact OD1-CG2 3.38Å; D642-T644 PolarHBondContact OD1-N 2.91Å; D642-T644 PolarHBondContact OD1-OG1 3.14Å |
| 643 | V | 81.8 | Confident | 85.6 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | trans | -111.7 | 6.6 | -177.7 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | N11 A13 L641 K645 V646 E647 | N11-V643 PolarHBondContact O-N 3.38Å; A13-V643 HydrophobicContact CB-CB 4.38Å; A13-V643 HydrophobicContact CB-CG2 3.41Å; A13-V643 VanDerWaalsContact CB-CG2 3.41Å; L641-V643 PolarHBondContact O-N 2.53Å; V643-K645 VanDerWaalsContact C-N 3.3Å; V643-K645 PolarHBondContact O-N 3.07Å; V643-K645 VanDerWaalsContact O-N 3.15Å; V643-V646 HydrophobicContact CG1-CB 3.79Å; V643-V646 HydrophobicContact CG1-CG1 4.3Å; V643-V646 HydrophobicContact CG1-CG2 4.36Å; V643-V646 WeakPolarHBondContact O-CA 3.26Å; V643-V646 WeakPolarHBondContact O-CB 3.43Å; V643-V646 PolarHBondContact O-N 3.34Å; V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 PolarHBondContact O-N 3.22Å | ||
| 644 | T | 78.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | -171 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | K9 T10 N11 D642 V646 L648 | K9-T644 HydrophobicContact CB-CG2 4.15Å; T10-T644 WeakPolarHBondContact OG1-CG2 3.48Å; N11-T644 VanDerWaalsContact N-CG2 3.26Å; N11-T644 WeakPolarHBondContact O-CG2 3.5Å; D642-T644 VanDerWaalsContact OD1-CB 3.24Å; D642-T644 WeakPolarHBondContact OD1-CB 3.48Å; D642-T644 WeakPolarHBondContact OD1-CG2 3.38Å; D642-T644 PolarHBondContact OD1-N 2.91Å; D642-T644 PolarHBondContact OD1-OG1 3.14Å; T644-V646 VanDerWaalsContact C-N 3.34Å; T644-L648 WeakPolarHBondContact O-CB 3.46Å; T644-L648 WeakPolarHBondContact O-CG 3.35Å; T644-L648 PolarHBondContact O-N 3.07Å |
| 645 | K | 76.9 | Confident | 85.7 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -69.7 | -33.2 | 177.6 | -67.8 | 177.2 | -179.2 | 168 | 0 | 112.6 | V643 A649 | V643-K645 VanDerWaalsContact C-N 3.3Å; V643-K645 PolarHBondContact O-N 3.07Å; V643-K645 VanDerWaalsContact O-N 3.15Å; K645-A649 VanDerWaalsContact O-CB 3.31Å; K645-A649 WeakPolarHBondContact O-CB 3.36Å; K645-A649 PolarHBondContact O-N 2.91Å |
| 646 | V | 80.6 | Confident | 85.9 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.7 | -47 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | V643 T644 L648 A649 E650 | V643-V646 HydrophobicContact CG1-CB 3.79Å; V643-V646 HydrophobicContact CG1-CG1 4.3Å; V643-V646 HydrophobicContact CG1-CG2 4.36Å; V643-V646 WeakPolarHBondContact O-CA 3.26Å; V643-V646 WeakPolarHBondContact O-CB 3.43Å; V643-V646 PolarHBondContact O-N 3.34Å; T644-V646 VanDerWaalsContact C-N 3.34Å; V646-L648 PolarHBondContact O-N 3.23Å; V646-A649 PolarHBondContact O-N 3.03Å; V646-E650 HydrophobicContact CG1-CG 4.48Å; V646-E650 WeakPolarHBondContact O-CG 3.41Å; V646-E650 PolarHBondContact O-N 3Å |
| 647 | E | 82.4 | Confident | 86 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.1 | -71.5 | 179 | 168.4 | 0 | 0 | 112.4 | N11 V643 A649 E650 E651 | N11-E647 WeakPolarHBondContact CB-OE2 3.39Å; N11-E647 PolarHBondContact ND2-OE1 2.93Å; V643-E647 HydrophobicContact CG1-CG 4.21Å; V643-E647 PolarHBondContact O-N 3.22Å; E647-A649 VanDerWaalsContact C-N 3.28Å; E647-A649 PolarHBondContact O-N 3.35Å; E647-E650 PolarHBondContact O-N 2.6Å; E647-E650 VanDerWaalsContact O-N 3.17Å; E647-E651 WeakPolarHBondContact O-CG 3.32Å; E647-E651 PolarHBondContact O-N 3.42Å |
| 648 | L | 81.4 | Confident | 85.9 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 177 | -77.1 | 169.8 | 0 | 0 | 0 | 112.3 | T644 V646 Q652 | T644-L648 WeakPolarHBondContact O-CB 3.46Å; T644-L648 WeakPolarHBondContact O-CG 3.35Å; T644-L648 PolarHBondContact O-N 3.07Å; V646-L648 PolarHBondContact O-N 3.23Å; L648-Q652 WeakPolarHBondContact O-CB 3.03Å; L648-Q652 WeakPolarHBondContact O-CG 3.18Å; L648-Q652 PolarHBondContact O-N 3.16Å |
| 649 | A | 84.6 | Confident | 85.9 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 44% | 0.438 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K645 V646 E647 A653 | K645-A649 VanDerWaalsContact O-CB 3.31Å; K645-A649 WeakPolarHBondContact O-CB 3.36Å; K645-A649 PolarHBondContact O-N 2.91Å; V646-A649 PolarHBondContact O-N 3.03Å; E647-A649 VanDerWaalsContact C-N 3.28Å; E647-A649 PolarHBondContact O-N 3.35Å; A649-A653 VanDerWaalsContact O-CB 3.28Å; A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 2.82Å |
| 650 | E | 87 | Confident | 86 | Confident | 101 Ų | 101 | 82 Ų | 82 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.7 | -74.8 | -179.8 | -170.1 | 0 | 0 | 112.1 | V646 E647 A653 K654 | V646-E650 HydrophobicContact CG1-CG 4.48Å; V646-E650 WeakPolarHBondContact O-CG 3.41Å; V646-E650 PolarHBondContact O-N 3Å; E647-E650 PolarHBondContact O-N 2.6Å; E647-E650 VanDerWaalsContact O-N 3.17Å; E650-A653 PolarHBondContact O-N 2.99Å; E650-K654 WeakPolarHBondContact O-CB 3.3Å; E650-K654 VanDerWaalsContact O-CG 3.24Å; E650-K654 WeakPolarHBondContact O-CG 3.21Å; E650-K654 PolarHBondContact O-N 2.98Å |
| 651 | E | 85.3 | Confident | 85.9 | Confident | 107 Ų | 107 | 84.8 Ų | 84.8 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.6 | -74.3 | 178.5 | 176.5 | 0 | 0 | 111.4 | E647 K654 Q655 | E647-E651 WeakPolarHBondContact O-CG 3.32Å; E647-E651 PolarHBondContact O-N 3.42Å; E651-K654 PolarHBondContact O-N 2.88Å; E651-Q655 WeakPolarHBondContact O-CG 3.31Å; E651-Q655 PolarHBondContact O-N 3.41Å |
| 652 | Q | 87.3 | Confident | 85.9 | Confident | 113 Ų | 113 | 87 Ų | 87 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174.9 | -74.8 | 172.4 | 0.5 | 0 | 0 | 111.4 | L648 K654 Q655 E656 | L648-Q652 WeakPolarHBondContact O-CB 3.03Å; L648-Q652 WeakPolarHBondContact O-CG 3.18Å; L648-Q652 PolarHBondContact O-N 3.16Å; Q652-K654 PolarHBondContact O-N 3.34Å; Q652-Q655 PolarHBondContact O-N 2.87Å; Q652-E656 WeakPolarHBondContact O-CB 3.4Å; Q652-E656 WeakPolarHBondContact O-CG 3.27Å; Q652-E656 PolarHBondContact O-N 3.36Å |
| 653 | A | 90.3 | Very high | 86.1 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A649 E650 E656 E657 | A649-A653 VanDerWaalsContact O-CB 3.28Å; A649-A653 WeakPolarHBondContact O-CB 3.42Å; A649-A653 PolarHBondContact O-N 2.82Å; E650-A653 PolarHBondContact O-N 2.99Å; A653-E656 PolarHBondContact O-N 3.21Å; A653-E657 VanDerWaalsContact O-CB 3.32Å; A653-E657 WeakPolarHBondContact O-CB 3.4Å; A653-E657 PolarHBondContact O-N 3.47Å |
| 654 | K | 88.3 | Confident | 86.5 | Confident | 131 Ų | 131 | 94 Ų | 94 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 175.1 | -75.4 | 168.8 | -175.4 | 168.5 | 0 | 111.7 | E650 E651 Q652 E657 Q658 | E650-K654 WeakPolarHBondContact O-CB 3.3Å; E650-K654 VanDerWaalsContact O-CG 3.24Å; E650-K654 WeakPolarHBondContact O-CG 3.21Å; E650-K654 PolarHBondContact O-N 2.98Å; E651-K654 PolarHBondContact O-N 2.88Å; Q652-K654 PolarHBondContact O-N 3.34Å; K654-E657 PolarHBondContact O-N 3.25Å; K654-Q658 WeakPolarHBondContact O-CB 3.41Å; K654-Q658 PolarHBondContact O-N 2.49Å |
| 655 | Q | 88.2 | Confident | 86.9 | Confident | 118 Ų | 118 | 94 Ų | 94 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 176.5 | -73.5 | 178.3 | 3.5 | 0 | 0 | 111.4 | E651 Q652 Q658 I659 | E651-Q655 WeakPolarHBondContact O-CG 3.31Å; E651-Q655 PolarHBondContact O-N 3.41Å; Q652-Q655 PolarHBondContact O-N 2.87Å; Q655-Q658 PolarHBondContact O-N 3.27Å; Q655-I659 VanDerWaalsContact O-CG1 3.26Å; Q655-I659 WeakPolarHBondContact O-CG1 3.45Å; Q655-I659 PolarHBondContact O-N 3.19Å |
| 656 | E | 90.8 | Very high | 87.5 | Confident | 124 Ų | 124 | 90 Ų | 90 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176 | -73.4 | 177.6 | -179.5 | 0 | 0 | 111.6 | Q652 A653 Q658 I659 L660 | Q652-E656 WeakPolarHBondContact O-CB 3.4Å; Q652-E656 WeakPolarHBondContact O-CG 3.27Å; Q652-E656 PolarHBondContact O-N 3.36Å; A653-E656 PolarHBondContact O-N 3.21Å; E656-Q658 VanDerWaalsContact C-N 3.32Å; E656-Q658 PolarHBondContact O-N 3.36Å; E656-I659 PolarHBondContact O-N 2.84Å; E656-L660 WeakPolarHBondContact O-CB 3.25Å; E656-L660 VanDerWaalsContact O-CG 3.29Å; E656-L660 WeakPolarHBondContact O-CG 3.5Å; E656-L660 PolarHBondContact O-N 2.8Å |
| 657 | E | 90.1 | Very high | 88 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.7 | -170.1 | -175.9 | 171.4 | 0 | 0 | 111.6 | A653 K654 L660 K661 | A653-E657 VanDerWaalsContact O-CB 3.32Å; A653-E657 WeakPolarHBondContact O-CB 3.4Å; A653-E657 PolarHBondContact O-N 3.47Å; K654-E657 PolarHBondContact O-N 3.25Å; E657-L660 PolarHBondContact O-N 3.36Å; E657-K661 HydrophobicContact CG-CD 4.28Å; E657-K661 WeakPolarHBondContact O-CB 3.3Å; E657-K661 VanDerWaalsContact O-CG 3.3Å; E657-K661 WeakPolarHBondContact O-CG 3.43Å; E657-K661 PolarHBondContact O-N 3.3Å; E657-K661 WeakPolarHBondContact OE1-CE 3.31Å; E657-K661 IonicContact OE1-NZ 3.12Å; E657-K661 PolarHBondContact OE1-NZ 3.3Å |
| 658 | Q | 88.1 | Confident | 88.2 | Confident | 120 Ų | 120 | 88.8 Ų | 88.8 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 177 | -169.9 | 174.4 | 11.4 | 0 | 0 | 111.7 | K654 Q655 E656 K661 Q662 | K654-Q658 WeakPolarHBondContact O-CB 3.41Å; K654-Q658 PolarHBondContact O-N 2.49Å; Q655-Q658 PolarHBondContact O-N 3.27Å; E656-Q658 VanDerWaalsContact C-N 3.32Å; E656-Q658 PolarHBondContact O-N 3.36Å; Q658-K661 PolarHBondContact O-N 2.82Å; Q658-Q662 WeakPolarHBondContact O-CB 3.37Å; Q658-Q662 PolarHBondContact O-N 2.66Å |
| 659 | I | 91.4 | Very high | 88.3 | Confident | 108 Ų | 108 | 87.9 Ų | 87.9 | 55% | 0.554 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.4 | -68.2 | 165 | 0 | 0 | 0 | 110.4 | Q655 E656 Q662 Q663 | Q655-I659 VanDerWaalsContact O-CG1 3.26Å; Q655-I659 WeakPolarHBondContact O-CG1 3.45Å; Q655-I659 PolarHBondContact O-N 3.19Å; E656-I659 PolarHBondContact O-N 2.84Å; I659-Q662 PolarHBondContact O-N 3.09Å; I659-Q663 PolarHBondContact O-N 2.79Å |
| 660 | L | 91.3 | Very high | 88.3 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.7 | -74 | 173.1 | 0 | 0 | 0 | 111.5 | E656 E657 Q662 Q663 E664 | E656-L660 WeakPolarHBondContact O-CB 3.25Å; E656-L660 VanDerWaalsContact O-CG 3.29Å; E656-L660 WeakPolarHBondContact O-CG 3.5Å; E656-L660 PolarHBondContact O-N 2.8Å; E657-L660 PolarHBondContact O-N 3.36Å; L660-Q662 VanDerWaalsContact C-N 3.29Å; L660-Q662 PolarHBondContact O-N 3.45Å; L660-Q663 PolarHBondContact O-N 3.31Å; L660-E664 WeakPolarHBondContact O-CG 3.01Å; L660-E664 PolarHBondContact O-N 2.98Å |
| 661 | K | 88.3 | Confident | 88.2 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 30% | 0.296 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 176.3 | -73.5 | 176.6 | -178.4 | 166.6 | 0 | 112 | E657 Q658 E664 L665 L680 L684 | E657-K661 HydrophobicContact CG-CD 4.28Å; E657-K661 WeakPolarHBondContact O-CB 3.3Å; E657-K661 VanDerWaalsContact O-CG 3.3Å; E657-K661 WeakPolarHBondContact O-CG 3.43Å; E657-K661 PolarHBondContact O-N 3.3Å; E657-K661 WeakPolarHBondContact OE1-CE 3.31Å; E657-K661 IonicContact OE1-NZ 3.12Å; E657-K661 PolarHBondContact OE1-NZ 3.3Å; Q658-K661 PolarHBondContact O-N 2.82Å; K661-E664 PolarHBondContact O-N 3.34Å; K661-L665 WeakPolarHBondContact O-CB 3.1Å; K661-L665 PolarHBondContact O-N 2.68Å; K661-L680 HydrophobicContact CB-CD1 4.37Å; K661-L680 HydrophobicContact CG-CD1 4.29Å; K661-L680 WeakPolarHBondContact O-CD2 3.49Å; K661-L684 HydrophobicContact CB-CD1 4.12Å; K661-L684 HydrophobicContact CB-CD2 3.94Å; K661-L684 HydrophobicContact CB-CG 4.45Å; K661-L684 HydrophobicContact CD-CD2 4.03Å |
| 662 | Q | 86.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 95 Ų | 95 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.3 | -171.5 | 173.4 | 10 | 0 | 0 | 112 | Q658 I659 L660 L665 S666 | Q658-Q662 WeakPolarHBondContact O-CB 3.37Å; Q658-Q662 PolarHBondContact O-N 2.66Å; I659-Q662 PolarHBondContact O-N 3.09Å; L660-Q662 VanDerWaalsContact C-N 3.29Å; L660-Q662 PolarHBondContact O-N 3.45Å; Q662-L665 WeakPolarHBondContact O-CB 2.87Å; Q662-L665 PolarHBondContact O-N 3.34Å; Q662-S666 PolarHBondContact O-N 2.72Å |
| 663 | Q | 89.3 | Confident | 87.9 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 174.7 | -172.3 | 177.2 | 1.2 | 0 | 0 | 111.4 | I659 L660 L665 S666 N667 | I659-Q663 PolarHBondContact O-N 2.79Å; L660-Q663 PolarHBondContact O-N 3.31Å; Q663-L665 VanDerWaalsContact C-N 3.32Å; Q663-L665 PolarHBondContact O-N 3.19Å; Q663-S666 PolarHBondContact O-N 2.81Å; Q663-N667 VanDerWaalsContact O-CG 3.24Å; Q663-N667 PolarHBondContact O-N 3.21Å; Q663-N667 PolarHBondContact O-ND2 3.41Å |
| 664 | E | 89.7 | Confident | 87.5 | Confident | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 173.5 | -74.7 | -175.6 | 176.5 | 0 | 0 | 111.7 | L660 K661 S666 N667 L668 L680 | L660-E664 WeakPolarHBondContact O-CG 3.01Å; L660-E664 PolarHBondContact O-N 2.98Å; K661-E664 PolarHBondContact O-N 3.34Å; E664-S666 PolarHBondContact O-N 2.94Å; E664-N667 PolarHBondContact O-N 2.78Å; E664-L668 WeakPolarHBondContact O-CB 3.31Å; E664-L668 VanDerWaalsContact O-CG 3.23Å; E664-L668 WeakPolarHBondContact O-CG 3.35Å; E664-L668 PolarHBondContact O-N 3.07Å; E664-L680 HydrophobicContact CB-CD2 3.86Å |
| 665 | L | 87.7 | Confident | 87 | Confident | 5 Ų | 5 | 90.9 Ų | 90.9 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 175.6 | -176.5 | 75.4 | 0 | 0 | 0 | 111 | K661 Q662 Q663 N667 L668 L669 A677 L680 A681 L684 | K661-L665 WeakPolarHBondContact O-CB 3.1Å; K661-L665 PolarHBondContact O-N 2.68Å; Q662-L665 WeakPolarHBondContact O-CB 2.87Å; Q662-L665 PolarHBondContact O-N 3.34Å; Q663-L665 VanDerWaalsContact C-N 3.32Å; Q663-L665 PolarHBondContact O-N 3.19Å; L665-N667 VanDerWaalsContact C-N 3.34Å; L665-N667 PolarHBondContact O-N 3.4Å; L665-L668 PolarHBondContact O-N 3.35Å; L665-L669 HydrophobicContact CG-CD1 4.31Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.31Å; L665-L669 PolarHBondContact O-N 3.27Å; L665-A677 HydrophobicContact CD1-CB 4.47Å; L665-A677 VanDerWaalsContact CD1-O 3.28Å; L665-A677 WeakPolarHBondContact CD1-O 3.44Å; L665-L680 HydrophobicContact CB-CD2 3.95Å; L665-L680 HydrophobicContact CD1-CB 4.17Å; L665-L680 HydrophobicContact CD1-CD2 4.38Å; L665-L680 HydrophobicContact CD1-CG 4.38Å; L665-A681 HydrophobicContact CD1-CB 3.8Å; L665-L684 HydrophobicContact CD2-CD1 4.37Å |
| 666 | S | 87.8 | Confident | 86.7 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 178.1 | -173 | 0 | 0 | 0 | 0 | 111.9 | Q662 Q663 E664 L668 L669 H670 | Q662-S666 PolarHBondContact O-N 2.72Å; Q663-S666 PolarHBondContact O-N 2.81Å; E664-S666 PolarHBondContact O-N 2.94Å; S666-L668 PolarHBondContact O-N 2.8Å; S666-L669 PolarHBondContact O-N 2.94Å; S666-H670 PolarHBondContact O-CD2 2.82Å; S666-H670 VanDerWaalsContact O-CD2 3.27Å; S666-H670 PolarHBondContact O-N 3.14Å |
| 667 | N | 91.3 | Very high | 86.4 | Confident | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.7 | -68.4 | -17.5 | 0 | 0 | 0 | 111.5 | Q663 E664 L665 L669 H670 E671 | Q663-N667 VanDerWaalsContact O-CG 3.24Å; Q663-N667 PolarHBondContact O-N 3.21Å; Q663-N667 PolarHBondContact O-ND2 3.41Å; E664-N667 PolarHBondContact O-N 2.78Å; L665-N667 VanDerWaalsContact C-N 3.34Å; L665-N667 PolarHBondContact O-N 3.4Å; N667-L669 VanDerWaalsContact C-N 3.34Å; N667-L669 PolarHBondContact O-N 2.81Å; N667-H670 PolarHBondContact O-N 3.11Å; N667-E671 WeakPolarHBondContact O-CB 3.19Å; N667-E671 WeakPolarHBondContact O-CG 3.41Å; N667-E671 PolarHBondContact O-N 2.83Å |
| 668 | L | 86.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 14% | 0.141 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.5 | -34 | 179.1 | -69.8 | 170 | 0 | 0 | 0 | 112.7 | E664 L665 S666 K672 K673 K676 A677 L680 | E664-L668 WeakPolarHBondContact O-CB 3.31Å; E664-L668 VanDerWaalsContact O-CG 3.23Å; E664-L668 WeakPolarHBondContact O-CG 3.35Å; E664-L668 PolarHBondContact O-N 3.07Å; L665-L668 PolarHBondContact O-N 3.35Å; S666-L668 PolarHBondContact O-N 2.8Å; L668-K672 PolarHBondContact O-N 2.76Å; L668-K673 HydrophobicContact CD2-CB 3.98Å; L668-K673 HydrophobicContact CD2-CD 4.03Å; L668-K673 PolarHBondContact O-N 2.89Å; L668-K676 HydrophobicContact CD1-CB 3.84Å; L668-K676 HydrophobicContact CD2-CB 4.06Å; L668-K676 HydrophobicContact CD2-CD 4.39Å; L668-A677 HydrophobicContact CB-CB 3.98Å; L668-L680 HydrophobicContact CD1-CD2 4.12Å |
| 669 | L | 84.3 | Confident | 85.8 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 173 | -70.6 | 175.3 | 0 | 0 | 0 | 111.5 | L665 S666 N667 K672 A677 V693 | L665-L669 HydrophobicContact CG-CD1 4.31Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.31Å; L665-L669 PolarHBondContact O-N 3.27Å; S666-L669 PolarHBondContact O-N 2.94Å; N667-L669 VanDerWaalsContact C-N 3.34Å; N667-L669 PolarHBondContact O-N 2.81Å; L669-K672 PolarHBondContact O-N 2.96Å; L669-A677 HydrophobicContact CD2-CB 4.06Å; L669-V693 HydrophobicContact CD2-CG2 3.25Å |
| 670 | H | 85.6 | Confident | 85.5 | Confident | 155 Ų | 155 | 72.7 Ų | 72.7 | 72% | 0.718 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 175.6 | -82.8 | -63.7 | 0 | 0 | 0 | 112.7 | S666 N667 K672 | S666-H670 PolarHBondContact O-CD2 2.82Å; S666-H670 VanDerWaalsContact O-CD2 3.27Å; S666-H670 PolarHBondContact O-N 3.14Å; N667-H670 PolarHBondContact O-N 3.11Å; H670-K672 PolarHBondContact O-N 3.04Å |
| 671 | E | 85.1 | Confident | 85.3 | Confident | 112 Ų | 112 | 67.9 Ų | 67.9 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -1.6 | 176.3 | -68.8 | -177.2 | 169 | 0 | 0 | 113.8 | N667 K673 | N667-E671 WeakPolarHBondContact O-CB 3.19Å; N667-E671 WeakPolarHBondContact O-CG 3.41Å; N667-E671 PolarHBondContact O-N 2.83Å; E671-K673 HydrophobicContact CB-CD 4.31Å; E671-K673 HydrophobicContact CB-CG 4.21Å; E671-K673 PolarHBondContact O-N 3.4Å; E671-K673 WeakPolarHBondContact OE2-CD 3.42Å; E671-K673 VanDerWaalsContact OE2-CE 3.23Å; E671-K673 WeakPolarHBondContact OE2-CE 3.28Å; E671-K673 IonicContact OE2-NZ 2.67Å; E671-K673 PolarHBondContact OE2-NZ 3.06Å |
| 672 | K | 81.6 | Confident | 85.2 | Confident | 145 Ų | 145 | 64.9 Ų | 64.9 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.5 | -175.7 | -58.2 | -175.9 | 178.9 | -176.9 | 0 | 114 | L668 L669 H670 Y674 | L668-K672 PolarHBondContact O-N 2.76Å; L669-K672 PolarHBondContact O-N 2.96Å; H670-K672 PolarHBondContact O-N 3.04Å; K672-Y674 HydrophobicContact CB-CE1 4.48Å; K672-Y674 HydrophobicContact CB-CE2 4Å; K672-Y674 VanDerWaalsContact O-CD2 3.29Å; K672-Y674 WeakPolarHBondContact O-CD2 3.45Å; K672-Y674 WeakPolarHBondContact O-CE2 3.33Å; K672-Y674 PolarHBondContact O-N 2.86Å; K672-Y674 VanDerWaalsContact O-N 3.1Å |
| 673 | K | 83 | Confident | 85.1 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | trans | -85.8 | 75.1 | 176.6 | -72.7 | 178.2 | -175.9 | 158 | 0 | 110.6 | L668 E671 L675 K676 A677 | L668-K673 HydrophobicContact CD2-CB 3.98Å; L668-K673 HydrophobicContact CD2-CD 4.03Å; L668-K673 PolarHBondContact O-N 2.89Å; E671-K673 HydrophobicContact CB-CD 4.31Å; E671-K673 HydrophobicContact CB-CG 4.21Å; E671-K673 PolarHBondContact O-N 3.4Å; E671-K673 WeakPolarHBondContact OE2-CD 3.42Å; E671-K673 VanDerWaalsContact OE2-CE 3.23Å; E671-K673 WeakPolarHBondContact OE2-CE 3.28Å; E671-K673 IonicContact OE2-NZ 2.67Å; E671-K673 PolarHBondContact OE2-NZ 3.06Å; K673-L675 PolarHBondContact O-N 2.75Å; K673-K676 PolarHBondContact O-N 2.84Å; K673-A677 WeakPolarHBondContact O-CB 3.19Å; K673-A677 PolarHBondContact O-N 2.78Å; K673-A677 VanDerWaalsContact O-N 3.09Å | ||
| 674 | Y | 81.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -35.9 | -169.3 | -58 | -61.3 | 0 | 0 | 0 | 115.2 | K672 K676 A677 L678 V693 A696 I697 L706 | K672-Y674 HydrophobicContact CB-CE1 4.48Å; K672-Y674 HydrophobicContact CB-CE2 4Å; K672-Y674 VanDerWaalsContact O-CD2 3.29Å; K672-Y674 WeakPolarHBondContact O-CD2 3.45Å; K672-Y674 WeakPolarHBondContact O-CE2 3.33Å; K672-Y674 PolarHBondContact O-N 2.86Å; K672-Y674 VanDerWaalsContact O-N 3.1Å; Y674-K676 PolarHBondContact O-N 2.99Å; Y674-A677 PolarHBondContact O-N 3.4Å; Y674-L678 WeakPolarHBondContact O-CB 3.42Å; Y674-L678 PolarHBondContact O-N 2.62Å; Y674-V693 HydrophobicContact CD1-CG1 3.87Å; Y674-V693 HydrophobicContact CG-CG1 4.42Å; Y674-A696 HydrophobicContact CE1-CB 3.91Å; Y674-I697 HydrophobicContact CD1-CG1 4.13Å; Y674-I697 HydrophobicContact CD2-CG1 3.89Å; Y674-I697 HydrophobicContact CE2-CG1 4.41Å; Y674-I697 HydrophobicContact CG-CD1 4.2Å; Y674-I697 HydrophobicContact CG-CG1 3.72Å; Y674-L706 HydrophobicContact CD2-CD2 4.13Å |
| 675 | L | 78.7 | Confident | 84.5 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.9 | -52.2 | 176.7 | -90.1 | 172.6 | 0 | 0 | 0 | 113.1 | K673 G679 T710 R713 | K673-L675 PolarHBondContact O-N 2.75Å; L675-G679 PolarHBondContact O-N 2.81Å; L675-T710 VanDerWaalsContact CD2-CA 3.44Å; L675-T710 HydrophobicContact CD2-CG2 3.69Å; L675-T710 HydrophobicContact CG-CG2 3.61Å; L675-R713 HydrophobicContact CD2-CB 4.26Å |
| 676 | K | 81.4 | Confident | 84.3 | Confident | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -75.8 | -38.1 | -177.1 | -66.6 | -173.8 | 178 | -173.5 | 0 | 110.8 | L668 K673 Y674 L678 G679 L680 | L668-K676 HydrophobicContact CD1-CB 3.84Å; L668-K676 HydrophobicContact CD2-CB 4.06Å; L668-K676 HydrophobicContact CD2-CD 4.39Å; K673-K676 PolarHBondContact O-N 2.84Å; Y674-K676 PolarHBondContact O-N 2.99Å; K676-L678 VanDerWaalsContact C-N 3.35Å; K676-G679 PolarHBondContact O-N 3.28Å; K676-L680 VanDerWaalsContact O-CB 3.32Å; K676-L680 WeakPolarHBondContact O-CB 3.36Å; K676-L680 PolarHBondContact O-N 2.87Å |
| 677 | A | 85 | Confident | 84 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L665 L668 L669 K673 Y674 L680 A681 V693 | L665-A677 HydrophobicContact CD1-CB 4.47Å; L665-A677 VanDerWaalsContact CD1-O 3.28Å; L665-A677 WeakPolarHBondContact CD1-O 3.44Å; L668-A677 HydrophobicContact CB-CB 3.98Å; L669-A677 HydrophobicContact CD2-CB 4.06Å; K673-A677 WeakPolarHBondContact O-CB 3.19Å; K673-A677 PolarHBondContact O-N 2.78Å; K673-A677 VanDerWaalsContact O-N 3.09Å; Y674-A677 PolarHBondContact O-N 3.4Å; A677-L680 PolarHBondContact O-N 2.97Å; A677-A681 WeakPolarHBondContact O-CB 3.49Å; A677-A681 PolarHBondContact O-N 3.41Å; A677-V693 HydrophobicContact CB-CG2 4.48Å |
| 678 | L | 83.2 | Confident | 83.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.7 | -169.3 | 71.5 | 0 | 0 | 0 | 111.3 | Y674 K676 L680 A681 I682 V690 V693 I694 L711 L714 | Y674-L678 WeakPolarHBondContact O-CB 3.42Å; Y674-L678 PolarHBondContact O-N 2.62Å; K676-L678 VanDerWaalsContact C-N 3.35Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L678-L680 PolarHBondContact O-N 3.05Å; L678-A681 PolarHBondContact O-N 2.85Å; L678-I682 HydrophobicContact CD1-CD1 4.43Å; L678-I682 HydrophobicContact CG-CD1 3.96Å; L678-I682 WeakPolarHBondContact O-CB 3.23Å; L678-I682 WeakPolarHBondContact O-CD1 3.36Å; L678-I682 WeakPolarHBondContact O-CG1 3.46Å; L678-I682 PolarHBondContact O-N 2.79Å; L678-V690 HydrophobicContact CD1-CB 4.39Å; L678-V690 HydrophobicContact CD1-CG1 3.59Å; L678-V693 HydrophobicContact CB-CG1 4.46Å; L678-V693 HydrophobicContact CD1-CG1 4.16Å; L678-I694 HydrophobicContact CD1-CG1 4.5Å; L678-L711 HydrophobicContact CD2-CD2 4.21Å; L678-L714 HydrophobicContact CD2-CD1 3.86Å; L678-L714 HydrophobicContact CD2-CD2 4.38Å |
| 679 | G | 82.7 | Confident | 83.6 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L675 K676 S683 Q718 | L675-G679 PolarHBondContact O-N 2.81Å; K676-G679 PolarHBondContact O-N 3.28Å; G679-S683 PolarHBondContact O-N 2.82Å; G679-S683 VanDerWaalsContact O-N 3.11Å; G679-Q718 PolarHBondContact O-NE2 3.02Å |
| 680 | L | 85.2 | Confident | 83.6 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 178.3 | -169.5 | 64.1 | 0 | 0 | 0 | 112.1 | K661 E664 L665 L668 K676 A677 L678 I682 S683 L684 | K661-L680 HydrophobicContact CB-CD1 4.37Å; K661-L680 HydrophobicContact CG-CD1 4.29Å; K661-L680 WeakPolarHBondContact O-CD2 3.49Å; E664-L680 HydrophobicContact CB-CD2 3.86Å; L665-L680 HydrophobicContact CB-CD2 3.95Å; L665-L680 HydrophobicContact CD1-CB 4.17Å; L665-L680 HydrophobicContact CD1-CD2 4.38Å; L665-L680 HydrophobicContact CD1-CG 4.38Å; L668-L680 HydrophobicContact CD1-CD2 4.12Å; K676-L680 VanDerWaalsContact O-CB 3.32Å; K676-L680 WeakPolarHBondContact O-CB 3.36Å; K676-L680 PolarHBondContact O-N 2.87Å; A677-L680 PolarHBondContact O-N 2.97Å; L678-L680 VanDerWaalsContact C-N 3.32Å; L678-L680 PolarHBondContact O-N 3.05Å; L680-I682 VanDerWaalsContact C-N 3.34Å; L680-I682 PolarHBondContact O-N 2.93Å; L680-S683 WeakPolarHBondContact CA-OG 3.32Å; L680-S683 PolarHBondContact O-N 2.96Å; L680-S683 PolarHBondContact O-OG 3.2Å; L680-L684 HydrophobicContact CG-CD1 4.28Å; L680-L684 WeakPolarHBondContact O-CG 3.45Å; L680-L684 PolarHBondContact O-N 2.84Å |
| 681 | A | 86.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L665 A677 L678 L684 D685 Q686 V690 | L665-A681 HydrophobicContact CD1-CB 3.8Å; A677-A681 WeakPolarHBondContact O-CB 3.49Å; A677-A681 PolarHBondContact O-N 3.41Å; L678-A681 PolarHBondContact O-N 2.85Å; A681-L684 CarbonylContact O-C 3.53Å; A681-L684 PolarHBondContact O-N 2.8Å; A681-D685 PolarHBondContact O-N 2.79Å; A681-Q686 PolarHBondContact O-N 2.99Å; A681-Q686 VanDerWaalsContact O-N 3.1Å; A681-V690 HydrophobicContact CB-CG2 3.6Å |
| 682 | I | 86.1 | Confident | 83.6 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 173.6 | -66.9 | 166.4 | 0 | 0 | 0 | 110 | L678 L680 L684 D685 V690 Q718 | L678-I682 HydrophobicContact CD1-CD1 4.43Å; L678-I682 HydrophobicContact CG-CD1 3.96Å; L678-I682 WeakPolarHBondContact O-CB 3.23Å; L678-I682 WeakPolarHBondContact O-CD1 3.36Å; L678-I682 WeakPolarHBondContact O-CG1 3.46Å; L678-I682 PolarHBondContact O-N 2.79Å; L680-I682 VanDerWaalsContact C-N 3.34Å; L680-I682 PolarHBondContact O-N 2.93Å; I682-L684 PolarHBondContact O-N 2.88Å; I682-D685 PolarHBondContact O-N 3.06Å; I682-D685 VanDerWaalsContact O-N 3.11Å; I682-V690 HydrophobicContact CG1-CG2 4.04Å; I682-Q718 HydrophobicContact CD1-CB 4.23Å; I682-Q718 HydrophobicContact CG2-CB 4.1Å; I682-Q718 HydrophobicContact CG2-CG 3.96Å |
| 683 | S | 85.1 | Confident | 83.7 | Confident | 75 Ų | 75 | 46 Ų | 46 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.7 | -19.7 | 176.5 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | G679 L680 | G679-S683 PolarHBondContact O-N 2.82Å; G679-S683 VanDerWaalsContact O-N 3.11Å; L680-S683 WeakPolarHBondContact CA-OG 3.32Å; L680-S683 PolarHBondContact O-N 2.96Å; L680-S683 PolarHBondContact O-OG 3.2Å |
| 684 | L | 84.8 | Confident | 83.7 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4 | 175.6 | -69.8 | 171.7 | 0 | 0 | 0 | 112.6 | K661 L665 L680 A681 I682 Q686 | K661-L684 HydrophobicContact CB-CD1 4.12Å; K661-L684 HydrophobicContact CB-CD2 3.94Å; K661-L684 HydrophobicContact CB-CG 4.45Å; K661-L684 HydrophobicContact CD-CD2 4.03Å; L665-L684 HydrophobicContact CD2-CD1 4.37Å; L680-L684 HydrophobicContact CG-CD1 4.28Å; L680-L684 WeakPolarHBondContact O-CG 3.45Å; L680-L684 PolarHBondContact O-N 2.84Å; A681-L684 CarbonylContact O-C 3.53Å; A681-L684 PolarHBondContact O-N 2.8Å; I682-L684 PolarHBondContact O-N 2.88Å; L684-Q686 VanDerWaalsContact C-N 3.33Å; L684-Q686 HydrophobicContact CB-CG 4.23Å; L684-Q686 PolarHBondContact O-N 2.84Å |
| 685 | D | 82 | Confident | 83.9 | Confident | 101 Ų | 101 | 42.6 Ų | 42.6 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 47.2 | -175.9 | -75.8 | -31.9 | 0 | 0 | 0 | 114.9 | A681 I682 P687 Y725 | A681-D685 PolarHBondContact O-N 2.79Å; I682-D685 PolarHBondContact O-N 3.06Å; I682-D685 VanDerWaalsContact O-N 3.11Å; D685-P687 WeakPolarHBondContact O-CD 3.48Å; D685-Y725 VanDerWaalsContact CA-OH 3.27Å; D685-Y725 WeakPolarHBondContact CA-OH 3.21Å; D685-Y725 PolarHBondContact OD1-OH 2.78Å |
| 686 | Q | 83.4 | Confident | 83.9 | Confident | 59 Ų | 59 | 41 Ų | 41 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | trans | -103.9 | 86.4 | 178.5 | -66.8 | -165.5 | -12.3 | 0 | 0 | 112.5 | A681 L684 H688 T689 V690 | A681-Q686 PolarHBondContact O-N 2.99Å; A681-Q686 VanDerWaalsContact O-N 3.1Å; L684-Q686 VanDerWaalsContact C-N 3.33Å; L684-Q686 HydrophobicContact CB-CG 4.23Å; L684-Q686 PolarHBondContact O-N 2.84Å; Q686-H688 VanDerWaalsContact C-N 3.28Å; Q686-H688 PolarHBondContact O-N 2.92Å; Q686-T689 HydrophobicContact CB-CG2 4.32Å; Q686-T689 WeakPolarHBondContact CB-OG1 3.42Å; Q686-T689 PolarHBondContact O-N 3.1Å; Q686-T689 PolarHBondContact O-OG1 2.78Å; Q686-T689 PolarHBondContact OE1-OG1 2.81Å; Q686-V690 VanDerWaalsContact O-CG2 3.27Å; Q686-V690 WeakPolarHBondContact O-CG2 3.24Å; Q686-V690 PolarHBondContact O-N 2.83Å | ||
| 687 | P | 81.6 | Confident | 83.9 | Confident | 53 Ų | 53 | 34.1 Ų | 34.1 | 34% | 0.344 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63 | -30.2 | -175 | 22.5 | -33.9 | 0 | 0 | 0 | 114.1 | D685 L691 Y725 W729 | D685-P687 WeakPolarHBondContact O-CD 3.48Å; P687-L691 WeakPolarHBondContact O-CB 3.46Å; P687-L691 PolarHBondContact O-N 3Å; P687-Y725 HydrophobicContact CB-CD1 3.65Å; P687-Y725 HydrophobicContact CB-CE1 3.77Å; P687-Y725 HydrophobicContact CB-CG 4.14Å; P687-Y725 HydrophobicContact CG-CE1 4.28Å; P687-W729 WeakPolarHBondContact O-CZ2 3.35Å |
| 688 | H | 84.1 | Confident | 83.6 | Confident | 136 Ų | 136 | 39.9 Ų | 39.9 | 63% | 0.63 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -73.6 | -38.4 | -179.7 | -174.1 | -83.5 | 0 | 0 | 0 | 112.5 | Q686 L691 T692 | Q686-H688 VanDerWaalsContact C-N 3.28Å; Q686-H688 PolarHBondContact O-N 2.92Å; H688-L691 PolarHBondContact O-N 3.26Å; H688-T692 WeakPolarHBondContact O-CB 3.06Å; H688-T692 PolarHBondContact O-N 3.39Å; H688-T692 PolarHBondContact O-OG1 2.53Å |
| 689 | T | 83.8 | Confident | 83.3 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | Q686 L691 T692 V693 | Q686-T689 HydrophobicContact CB-CG2 4.32Å; Q686-T689 WeakPolarHBondContact CB-OG1 3.42Å; Q686-T689 PolarHBondContact O-N 3.1Å; Q686-T689 PolarHBondContact O-OG1 2.78Å; Q686-T689 PolarHBondContact OE1-OG1 2.81Å; T689-L691 PolarHBondContact O-N 3.35Å; T689-T692 WeakPolarHBondContact O-CB 3.26Å; T689-T692 PolarHBondContact O-N 3.3Å; T689-T692 VanDerWaalsContact O-N 3.17Å; T689-V693 WeakPolarHBondContact O-CG2 3.43Å; T689-V693 PolarHBondContact O-N 3.2Å |
| 690 | V | 85.2 | Confident | 83 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 170.4 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | L678 A681 I682 Q686 T692 V693 I694 L722 Y725 W729 | L678-V690 HydrophobicContact CD1-CB 4.39Å; L678-V690 HydrophobicContact CD1-CG1 3.59Å; A681-V690 HydrophobicContact CB-CG2 3.6Å; I682-V690 HydrophobicContact CG1-CG2 4.04Å; Q686-V690 VanDerWaalsContact O-CG2 3.27Å; Q686-V690 WeakPolarHBondContact O-CG2 3.24Å; Q686-V690 PolarHBondContact O-N 2.83Å; V690-T692 VanDerWaalsContact C-N 3.31Å; V690-T692 PolarHBondContact O-N 3.3Å; V690-V693 WeakPolarHBondContact O-CB 3.46Å; V690-V693 PolarHBondContact O-N 3.1Å; V690-I694 HydrophobicContact CG1-CD1 3.89Å; V690-I694 WeakPolarHBondContact O-CD1 3.37Å; V690-I694 WeakPolarHBondContact O-CG1 3.33Å; V690-I694 PolarHBondContact O-N 3.37Å; V690-L722 HydrophobicContact CG1-CD1 3.99Å; V690-Y725 HydrophobicContact CG1-CD2 4.44Å; V690-W729 HydrophobicContact CB-CH2 4.31Å; V690-W729 HydrophobicContact CB-CZ2 4.1Å; V690-W729 HydrophobicContact CG1-CH2 3.5Å; V690-W729 HydrophobicContact CG1-CZ2 3.79Å |
| 691 | L | 85 | Confident | 81.8 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 174.8 | -177.6 | 88.7 | 0 | 0 | 0 | 111.8 | P687 H688 T689 V693 I694 K695 W729 N735 | P687-L691 WeakPolarHBondContact O-CB 3.46Å; P687-L691 PolarHBondContact O-N 3Å; H688-L691 PolarHBondContact O-N 3.26Å; T689-L691 PolarHBondContact O-N 3.35Å; L691-V693 VanDerWaalsContact C-N 3.32Å; L691-V693 PolarHBondContact O-N 3.27Å; L691-I694 PolarHBondContact O-N 3.22Å; L691-K695 HydrophobicContact CD2-CD 4.33Å; L691-K695 HydrophobicContact CG-CD 4.23Å; L691-K695 WeakPolarHBondContact O-CB 3.16Å; L691-K695 WeakPolarHBondContact O-CG 3.29Å; L691-K695 PolarHBondContact O-N 3.39Å; L691-W729 HydrophobicContact CB-CZ2 3.88Å; L691-W729 HydrophobicContact CD1-CB 4.34Å; L691-W729 HydrophobicContact CD1-CD2 3.54Å; L691-W729 HydrophobicContact CD1-CE3 4.19Å; L691-W729 HydrophobicContact CD1-CG 3.59Å; L691-W729 HydrophobicContact CD1-CZ2 4.36Å; L691-N735 HydrophobicContact CD1-CB 4.14Å |
| 692 | T | 84.6 | Confident | 80.8 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | -179.4 | -55.7 | 0 | 0 | 0 | 0 | 111 | H688 T689 V690 A696 | H688-T692 WeakPolarHBondContact O-CB 3.06Å; H688-T692 PolarHBondContact O-N 3.39Å; H688-T692 PolarHBondContact O-OG1 2.53Å; T689-T692 WeakPolarHBondContact O-CB 3.26Å; T689-T692 PolarHBondContact O-N 3.3Å; T689-T692 VanDerWaalsContact O-N 3.17Å; V690-T692 VanDerWaalsContact C-N 3.31Å; V690-T692 PolarHBondContact O-N 3.3Å; T692-A696 WeakPolarHBondContact O-CB 3.43Å; T692-A696 PolarHBondContact O-N 2.82Å |
| 693 | V | 84.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 172.4 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | L669 Y674 A677 L678 T689 V690 L691 K695 A696 I697 | L669-V693 HydrophobicContact CD2-CG2 3.25Å; Y674-V693 HydrophobicContact CD1-CG1 3.87Å; Y674-V693 HydrophobicContact CG-CG1 4.42Å; A677-V693 HydrophobicContact CB-CG2 4.48Å; L678-V693 HydrophobicContact CB-CG1 4.46Å; L678-V693 HydrophobicContact CD1-CG1 4.16Å; T689-V693 WeakPolarHBondContact O-CG2 3.43Å; T689-V693 PolarHBondContact O-N 3.2Å; V690-V693 WeakPolarHBondContact O-CB 3.46Å; V690-V693 PolarHBondContact O-N 3.1Å; L691-V693 VanDerWaalsContact C-N 3.32Å; L691-V693 PolarHBondContact O-N 3.27Å; V693-K695 PolarHBondContact O-N 3Å; V693-A696 WeakPolarHBondContact O-CB 3.33Å; V693-A696 PolarHBondContact O-N 3.37Å; V693-A696 VanDerWaalsContact O-N 3.15Å; V693-I697 HydrophobicContact CG1-CD1 3.89Å; V693-I697 HydrophobicContact CG1-CG1 4.47Å; V693-I697 VanDerWaalsContact O-CG1 3.31Å; V693-I697 WeakPolarHBondContact O-CG1 3.39Å; V693-I697 PolarHBondContact O-N 3.02Å |
| 694 | I | 83.8 | Confident | 78.7 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | -178.3 | -68.4 | 159.2 | 0 | 0 | 0 | 111.5 | L678 V690 L691 A696 I697 R698 L722 W729 D738 V742 | L678-I694 HydrophobicContact CD1-CG1 4.5Å; V690-I694 HydrophobicContact CG1-CD1 3.89Å; V690-I694 WeakPolarHBondContact O-CD1 3.37Å; V690-I694 WeakPolarHBondContact O-CG1 3.33Å; V690-I694 PolarHBondContact O-N 3.37Å; L691-I694 PolarHBondContact O-N 3.22Å; I694-A696 VanDerWaalsContact C-N 3.3Å; I694-A696 PolarHBondContact O-N 3.36Å; I694-I697 PolarHBondContact O-N 2.79Å; I694-R698 PolarHBondContact O-N 3.48Å; I694-L722 HydrophobicContact CD1-CD1 4.22Å; I694-W729 HydrophobicContact CD1-CH2 3.22Å; I694-W729 HydrophobicContact CD1-CZ2 4.3Å; I694-W729 HydrophobicContact CD1-CZ3 3.34Å; I694-D738 HydrophobicContact CG2-CB 4.12Å; I694-V742 HydrophobicContact CD1-CG2 3.99Å; I694-V742 HydrophobicContact CG1-CG2 4.4Å; I694-V742 HydrophobicContact CG2-CG2 3.96Å |
| 695 | K | 84.7 | Confident | 77.9 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 173 | -76.9 | 178.9 | 176.6 | -176.9 | 0 | 112.2 | L691 V693 R698 Q699 N735 D738 | L691-K695 HydrophobicContact CD2-CD 4.33Å; L691-K695 HydrophobicContact CG-CD 4.23Å; L691-K695 WeakPolarHBondContact O-CB 3.16Å; L691-K695 WeakPolarHBondContact O-CG 3.29Å; L691-K695 PolarHBondContact O-N 3.39Å; V693-K695 PolarHBondContact O-N 3Å; K695-R698 PolarHBondContact O-N 2.68Å; K695-Q699 WeakPolarHBondContact O-CG 3.48Å; K695-Q699 PolarHBondContact O-N 3.15Å; K695-N735 WeakPolarHBondContact CE-OD1 3.34Å; K695-N735 PolarHBondContact NZ-OD1 3.4Å; K695-D738 WeakPolarHBondContact CE-OD2 3.27Å; K695-D738 VanDerWaalsContact CG-OD2 3.31Å; K695-D738 WeakPolarHBondContact CG-OD2 3.17Å |
| 696 | A | 80.1 | Confident | 77.3 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y674 T692 V693 I694 | Y674-A696 HydrophobicContact CE1-CB 3.91Å; T692-A696 WeakPolarHBondContact O-CB 3.43Å; T692-A696 PolarHBondContact O-N 2.82Å; V693-A696 WeakPolarHBondContact O-CB 3.33Å; V693-A696 PolarHBondContact O-N 3.37Å; V693-A696 VanDerWaalsContact O-N 3.15Å; I694-A696 VanDerWaalsContact C-N 3.3Å; I694-A696 PolarHBondContact O-N 3.36Å |
| 697 | I | 80.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 174.8 | -65.5 | 164.8 | 0 | 0 | 0 | 110.6 | Y674 V693 I694 Q699 A700 G703 L706 L707 | Y674-I697 HydrophobicContact CD1-CG1 4.13Å; Y674-I697 HydrophobicContact CD2-CG1 3.89Å; Y674-I697 HydrophobicContact CE2-CG1 4.41Å; Y674-I697 HydrophobicContact CG-CD1 4.2Å; Y674-I697 HydrophobicContact CG-CG1 3.72Å; V693-I697 HydrophobicContact CG1-CD1 3.89Å; V693-I697 HydrophobicContact CG1-CG1 4.47Å; V693-I697 VanDerWaalsContact O-CG1 3.31Å; V693-I697 WeakPolarHBondContact O-CG1 3.39Å; V693-I697 PolarHBondContact O-N 3.02Å; I694-I697 PolarHBondContact O-N 2.79Å; I697-Q699 VanDerWaalsContact C-N 3.29Å; I697-Q699 PolarHBondContact O-N 3.11Å; I697-A700 WeakPolarHBondContact O-CB 2.89Å; I697-A700 PolarHBondContact O-N 3.43Å; I697-G703 WeakPolarHBondContact CG2-O 3.5Å; I697-G703 VanDerWaalsContact O-CA 3.26Å; I697-G703 WeakPolarHBondContact O-CA 3.32Å; I697-L706 HydrophobicContact CG2-CB 4.46Å; I697-L706 HydrophobicContact CG2-CD2 4.44Å; I697-L707 HydrophobicContact CD1-CD1 4.18Å; I697-L707 HydrophobicContact CG2-CB 3.93Å; I697-L707 HydrophobicContact CG2-CD1 4.28Å |
| 698 | R | 78.8 | Confident | 76.7 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -28.9 | -179 | -160.3 | -172.6 | 77.8 | -172.8 | 7.3 | 113.5 | I694 K695 A700 D738 | I694-R698 PolarHBondContact O-N 3.48Å; K695-R698 PolarHBondContact O-N 2.68Å; R698-A700 VanDerWaalsContact C-N 3.27Å; R698-D738 WeakPolarHBondContact CD-OD1 3.28Å; R698-D738 IonicContact CZ-OD1 3.21Å; R698-D738 IonicContact NE-OD1 3.44Å; R698-D738 PolarHBondContact NE-OD1 3.18Å; R698-D738 VanDerWaalsContact NH1-CG 3.33Å; R698-D738 IonicContact NH1-OD1 2.65Å; R698-D738 PolarHBondContact NH1-OD1 2.87Å; R698-D738 IonicContact NH1-OD2 2.7Å |
| 699 | Q | 78 | Confident | 76.2 | Confident | 159 Ų | 159 | 60.9 Ų | 60.9 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.5 | 177.8 | -72.5 | 177.9 | -3 | 0 | 0 | 113.2 | K695 I697 | K695-Q699 WeakPolarHBondContact O-CG 3.48Å; K695-Q699 PolarHBondContact O-N 3.15Å; I697-Q699 VanDerWaalsContact C-N 3.29Å; I697-Q699 PolarHBondContact O-N 3.11Å |
| 700 | A | 75.8 | Confident | 75.7 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -81.3 | 148.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I697 R698 D702 G703 | I697-A700 WeakPolarHBondContact O-CB 2.89Å; I697-A700 PolarHBondContact O-N 3.43Å; R698-A700 VanDerWaalsContact C-N 3.27Å; A700-D702 PolarHBondContact O-N 2.91Å; A700-G703 PolarHBondContact O-N 3.1Å; A700-G703 VanDerWaalsContact O-N 3.12Å |
| 701 | E | 59.7 | Low | 75.2 | Confident | 202 Ų | 202 | 59.7 Ų | 59.7 | 94% | 0.944 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.3 | -173.1 | -68.3 | 177.7 | 160.2 | 0 | 0 | 113.9 | ||
| 702 | D | 66.7 | Low | 74.9 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 69% | 0.69 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 31.4 | 174.9 | -62.1 | -37.6 | 0 | 0 | 0 | 112.8 | A700 S704 L706 | A700-D702 PolarHBondContact O-N 2.91Å; D702-S704 PolarHBondContact O-N 3.33Å; D702-L706 WeakPolarHBondContact O-CB 3.32Å; D702-L706 PolarHBondContact O-N 2.87Å |
| 703 | G | 62.9 | Low | 74.6 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -30.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | I697 A700 L707 | I697-G703 WeakPolarHBondContact CG2-O 3.5Å; I697-G703 VanDerWaalsContact O-CA 3.26Å; I697-G703 WeakPolarHBondContact O-CA 3.32Å; A700-G703 PolarHBondContact O-N 3.1Å; A700-G703 VanDerWaalsContact O-N 3.12Å; G703-L707 VanDerWaalsContact O-CB 3.25Å; G703-L707 WeakPolarHBondContact O-CB 3.45Å; G703-L707 PolarHBondContact O-N 3.17Å |
| 704 | S | 63.7 | Low | 74.4 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 57% | 0.573 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -70.1 | -45.3 | -179.7 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | D702 L707 E708 | D702-S704 PolarHBondContact O-N 3.33Å; S704-L707 PolarHBondContact O-N 3.35Å; S704-E708 WeakPolarHBondContact O-CB 3.3Å; S704-E708 PolarHBondContact O-N 2.88Å |
| 705 | D | 67.4 | Low | 74.2 | Confident | 107 Ų | 107 | 79 Ų | 79 | 57% | 0.572 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -76.5 | -33.9 | -174.5 | -59.7 | 7.7 | 0 | 0 | 0 | 110.1 | S709 | D705-S709 WeakPolarHBondContact O-CB 3.39Å; D705-S709 PolarHBondContact O-N 2.74Å; D705-S709 PolarHBondContact O-OG 3.5Å |
| 706 | L | 69.9 | Low | 73.8 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 170.4 | -168.9 | 66.4 | 0 | 0 | 0 | 111.1 | Y674 I697 D702 S709 T710 | Y674-L706 HydrophobicContact CD2-CD2 4.13Å; I697-L706 HydrophobicContact CG2-CB 4.46Å; I697-L706 HydrophobicContact CG2-CD2 4.44Å; D702-L706 WeakPolarHBondContact O-CB 3.32Å; D702-L706 PolarHBondContact O-N 2.87Å; L706-S709 PolarHBondContact O-OG 3.35Å; L706-T710 WeakPolarHBondContact O-CB 3.42Å; L706-T710 WeakPolarHBondContact O-CG2 3.27Å; L706-T710 PolarHBondContact O-N 3.12Å; L706-T710 PolarHBondContact O-OG1 2.82Å |
| 707 | L | 73.9 | Confident | 73.7 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 7% | 0.068 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 175.9 | -173.4 | 67 | 0 | 0 | 0 | 111.2 | I697 G703 S704 T710 L711 A741 V742 V745 | I697-L707 HydrophobicContact CD1-CD1 4.18Å; I697-L707 HydrophobicContact CG2-CB 3.93Å; I697-L707 HydrophobicContact CG2-CD1 4.28Å; G703-L707 VanDerWaalsContact O-CB 3.25Å; G703-L707 WeakPolarHBondContact O-CB 3.45Å; G703-L707 PolarHBondContact O-N 3.17Å; S704-L707 PolarHBondContact O-N 3.35Å; L707-T710 WeakPolarHBondContact CA-OG1 3.29Å; L707-T710 PolarHBondContact O-N 2.56Å; L707-T710 VanDerWaalsContact O-N 3.12Å; L707-T710 PolarHBondContact O-OG1 2.88Å; L707-L711 HydrophobicContact CD1-CD1 4.04Å; L707-L711 HydrophobicContact CD1-CG 4.2Å; L707-L711 HydrophobicContact CD2-CD1 4.45Å; L707-L711 HydrophobicContact CG-CD1 3.89Å; L707-L711 HydrophobicContact CG-CG 4.34Å; L707-L711 WeakPolarHBondContact O-CG 3.4Å; L707-L711 PolarHBondContact O-N 2.82Å; L707-A741 HydrophobicContact CD2-CB 4.31Å; L707-V742 HydrophobicContact CD2-CG2 4.42Å; L707-V745 HydrophobicContact CD2-CG2 4.4Å |
| 708 | E | 77.7 | Confident | 73.8 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 34% | 0.341 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -50.6 | 179.1 | -173.2 | 175.7 | 176.8 | 0 | 0 | 112.1 | S704 T710 L711 L712 V745 H749 | S704-E708 WeakPolarHBondContact O-CB 3.3Å; S704-E708 PolarHBondContact O-N 2.88Å; E708-T710 PolarHBondContact O-N 3.27Å; E708-L711 PolarHBondContact O-N 2.81Å; E708-L712 HydrophobicContact CG-CD1 4.09Å; E708-L712 WeakPolarHBondContact O-CB 3.47Å; E708-L712 VanDerWaalsContact O-CG 3.32Å; E708-L712 WeakPolarHBondContact O-CG 3.34Å; E708-L712 PolarHBondContact O-N 2.75Å; E708-L712 VanDerWaalsContact O-N 3.07Å; E708-V745 HydrophobicContact CB-CG1 4.42Å; E708-V745 HydrophobicContact CG-CG1 4.34Å; E708-H749 WeakPolarHBondContact CG-NE2 3.41Å; E708-H749 IonicContact OE1-CD2 2.87Å; E708-H749 IonicContact OE1-CE1 3.68Å; E708-H749 PolarHBondContact OE1-CE1 2.74Å; E708-H749 IonicContact OE1-NE2 3.57Å; E708-H749 PolarHBondContact OE1-NE2 3.07Å |
| 709 | S | 75 | Confident | 73.9 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -29 | 175.5 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | D705 L706 | D705-S709 WeakPolarHBondContact O-CB 3.39Å; D705-S709 PolarHBondContact O-N 2.74Å; D705-S709 PolarHBondContact O-OG 3.5Å; L706-S709 PolarHBondContact O-OG 3.35Å |
| 710 | T | 71.9 | Confident | 74.1 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.7 | -43.7 | 176 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | L675 L706 L707 E708 R713 | L675-T710 VanDerWaalsContact CD2-CA 3.44Å; L675-T710 HydrophobicContact CD2-CG2 3.69Å; L675-T710 HydrophobicContact CG-CG2 3.61Å; L706-T710 WeakPolarHBondContact O-CB 3.42Å; L706-T710 WeakPolarHBondContact O-CG2 3.27Å; L706-T710 PolarHBondContact O-N 3.12Å; L706-T710 PolarHBondContact O-OG1 2.82Å; L707-T710 WeakPolarHBondContact CA-OG1 3.29Å; L707-T710 PolarHBondContact O-N 2.56Å; L707-T710 VanDerWaalsContact O-N 3.12Å; L707-T710 PolarHBondContact O-OG1 2.88Å; E708-T710 PolarHBondContact O-N 3.27Å; T710-R713 PolarHBondContact O-N 3.38Å |
| 711 | L | 75.9 | Confident | 74.5 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74.9 | -33.9 | -175.7 | -67.9 | -179.8 | 0 | 0 | 0 | 112.3 | L678 L707 E708 R713 L714 K719 L722 V742 V745 | L678-L711 HydrophobicContact CD2-CD2 4.21Å; L707-L711 HydrophobicContact CD1-CD1 4.04Å; L707-L711 HydrophobicContact CD1-CG 4.2Å; L707-L711 HydrophobicContact CD2-CD1 4.45Å; L707-L711 HydrophobicContact CG-CD1 3.89Å; L707-L711 HydrophobicContact CG-CG 4.34Å; L707-L711 WeakPolarHBondContact O-CG 3.4Å; L707-L711 PolarHBondContact O-N 2.82Å; E708-L711 PolarHBondContact O-N 2.81Å; L711-R713 PolarHBondContact O-N 2.76Å; L711-L714 HydrophobicContact CD2-CD1 3.6Å; L711-L714 PolarHBondContact O-N 3.41Å; L711-K719 WeakPolarHBondContact O-CE 3.49Å; L711-L722 HydrophobicContact CD2-CD2 3.39Å; L711-V742 HydrophobicContact CD1-CB 4.48Å; L711-V742 HydrophobicContact CD1-CG1 4.08Å; L711-V742 HydrophobicContact CD1-CG2 4.46Å; L711-V745 HydrophobicContact CB-CG1 3.92Å; L711-V745 HydrophobicContact CD1-CB 3.8Å; L711-V745 HydrophobicContact CD1-CG1 3.65Å; L711-V745 HydrophobicContact CD1-CG2 4.46Å; L711-V745 HydrophobicContact CG-CG1 4.35Å |
| 712 | L | 77.1 | Confident | 75.7 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 45% | 0.45 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -32.7 | 174.9 | -77.5 | 172.4 | 0 | 0 | 0 | 112.7 | E708 H749 | E708-L712 HydrophobicContact CG-CD1 4.09Å; E708-L712 WeakPolarHBondContact O-CB 3.47Å; E708-L712 VanDerWaalsContact O-CG 3.32Å; E708-L712 WeakPolarHBondContact O-CG 3.34Å; E708-L712 PolarHBondContact O-N 2.75Å; E708-L712 VanDerWaalsContact O-N 3.07Å; L712-H749 HydrophobicContact CD2-CB 3.68Å |
| 713 | R | 79.8 | Confident | 76.5 | Confident | 199 Ų | 199 | 59.6 Ų | 59.6 | 75% | 0.751 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6.1 | -177.1 | -163 | 170.9 | 178.4 | 169.3 | 2.6 | 114 | L675 T710 L711 | L675-R713 HydrophobicContact CD2-CB 4.26Å; T710-R713 PolarHBondContact O-N 3.38Å; L711-R713 PolarHBondContact O-N 2.76Å |
| 714 | L | 78.9 | Confident | 77.5 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -74.9 | 151.9 | 179.6 | -70.8 | 172.3 | 0 | 0 | 0 | 112.5 | L678 L711 Q718 K719 L722 | L678-L714 HydrophobicContact CD2-CD1 3.86Å; L678-L714 HydrophobicContact CD2-CD2 4.38Å; L711-L714 HydrophobicContact CD2-CD1 3.6Å; L711-L714 PolarHBondContact O-N 3.41Å; L714-Q718 HydrophobicContact CB-CB 4.33Å; L714-Q718 HydrophobicContact CD2-CB 4.36Å; L714-Q718 VanDerWaalsContact CD2-OE1 3.31Å; L714-K719 HydrophobicContact CB-CG 4.17Å; L714-K719 VanDerWaalsContact O-CE 3.28Å; L714-K719 WeakPolarHBondContact O-CE 3.36Å; L714-L722 HydrophobicContact CD1-CD2 4.37Å |
| 715 | R | 79.1 | Confident | 78.7 | Confident | 188 Ų | 188 | 63.1 Ų | 63.1 | 71% | 0.709 | 30% | 0.304 | S | S | * | . | trans | -71.4 | 159.3 | 174.3 | -66.6 | -177 | -178.1 | 176.4 | 1 | 111.6 | D717 Q718 K719 | R715-D717 PolarHBondContact O-N 2.78Å; R715-Q718 HydrophobicContact CB-CB 4.49Å; R715-Q718 HydrophobicContact CB-CG 4.27Å; R715-Q718 WeakPolarHBondContact O-CB 3.45Å; R715-Q718 PolarHBondContact O-N 2.96Å; R715-Q718 VanDerWaalsContact O-N 3.12Å; R715-K719 WeakPolarHBondContact O-CG 3.35Å; R715-K719 PolarHBondContact O-N 2.86Å | ||
| 716 | A | 77.6 | Confident | 79.5 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.2 | -51.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q718 K719 E720 F758 | A716-Q718 VanDerWaalsContact C-N 3.27Å; A716-Q718 PolarHBondContact O-N 3Å; A716-K719 WeakPolarHBondContact O-CB 3.39Å; A716-K719 PolarHBondContact O-N 2.84Å; A716-K719 VanDerWaalsContact O-N 3.09Å; A716-E720 PolarHBondContact O-N 3.45Å; A716-E720 VanDerWaalsContact O-N 3.12Å; A716-F758 HydrophobicContact CB-CE1 3.84Å; A716-F758 HydrophobicContact CB-CZ 4.31Å; A716-F758 WeakPolarHBondContact O-CE1 3.28Å |
| 717 | D | 78.1 | Confident | 80.3 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 64% | 0.642 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.1 | -34.6 | 177.5 | -45.4 | -18.1 | 0 | 0 | 0 | 113 | R715 E720 S721 | R715-D717 PolarHBondContact O-N 2.78Å; D717-E720 PolarHBondContact O-N 2.97Å; D717-S721 PolarHBondContact O-N 2.75Å; D717-S721 VanDerWaalsContact O-N 3.12Å; D717-S721 PolarHBondContact O-OG 3.12Å |
| 718 | Q | 81.4 | Confident | 80.9 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.1 | -32.6 | 178.8 | -68.5 | 176.3 | -30.3 | 0 | 0 | 112.1 | G679 I682 L714 R715 A716 E720 L722 | G679-Q718 PolarHBondContact O-NE2 3.02Å; I682-Q718 HydrophobicContact CD1-CB 4.23Å; I682-Q718 HydrophobicContact CG2-CB 4.1Å; I682-Q718 HydrophobicContact CG2-CG 3.96Å; L714-Q718 HydrophobicContact CB-CB 4.33Å; L714-Q718 HydrophobicContact CD2-CB 4.36Å; L714-Q718 VanDerWaalsContact CD2-OE1 3.31Å; R715-Q718 HydrophobicContact CB-CB 4.49Å; R715-Q718 HydrophobicContact CB-CG 4.27Å; R715-Q718 WeakPolarHBondContact O-CB 3.45Å; R715-Q718 PolarHBondContact O-N 2.96Å; R715-Q718 VanDerWaalsContact O-N 3.12Å; A716-Q718 VanDerWaalsContact C-N 3.27Å; A716-Q718 PolarHBondContact O-N 3Å; Q718-E720 VanDerWaalsContact C-N 3.34Å; Q718-L722 VanDerWaalsContact O-CB 3.31Å; Q718-L722 WeakPolarHBondContact O-CB 3.36Å; Q718-L722 PolarHBondContact O-N 2.88Å |
| 719 | K | 81.9 | Confident | 81.3 | Confident | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 173.9 | -68.2 | 171.7 | 179.3 | 178.8 | 0 | 110.7 | L711 L714 R715 A716 L722 L723 L746 L750 | L711-K719 WeakPolarHBondContact O-CE 3.49Å; L714-K719 HydrophobicContact CB-CG 4.17Å; L714-K719 VanDerWaalsContact O-CE 3.28Å; L714-K719 WeakPolarHBondContact O-CE 3.36Å; R715-K719 WeakPolarHBondContact O-CG 3.35Å; R715-K719 PolarHBondContact O-N 2.86Å; A716-K719 WeakPolarHBondContact O-CB 3.39Å; A716-K719 PolarHBondContact O-N 2.84Å; A716-K719 VanDerWaalsContact O-N 3.09Å; K719-L722 PolarHBondContact O-N 2.79Å; K719-L723 WeakPolarHBondContact O-CG 3.35Å; K719-L723 PolarHBondContact O-N 2.67Å; K719-L746 HydrophobicContact CG-CD2 4.29Å; K719-L750 HydrophobicContact CD-CD1 4.29Å; K719-L750 HydrophobicContact CD-CD2 4.33Å |
| 720 | E | 82.1 | Confident | 81.9 | Confident | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -52.4 | 174 | -171.9 | -178.1 | 142.2 | 0 | 0 | 112 | A716 D717 Q718 L722 L723 R724 F758 | A716-E720 PolarHBondContact O-N 3.45Å; A716-E720 VanDerWaalsContact O-N 3.12Å; D717-E720 PolarHBondContact O-N 2.97Å; Q718-E720 VanDerWaalsContact C-N 3.34Å; E720-L722 PolarHBondContact O-N 3.31Å; E720-L723 WeakPolarHBondContact O-CB 3.26Å; E720-L723 PolarHBondContact O-N 2.88Å; E720-R724 PolarHBondContact O-N 3.31Å; E720-F758 HydrophobicContact CB-CD1 4.14Å; E720-F758 HydrophobicContact CB-CG 4.44Å; E720-F758 HydrophobicContact CG-CB 4.31Å |
| 721 | S | 83.8 | Confident | 82.6 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.9 | -35.6 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | D717 R724 Y725 | D717-S721 PolarHBondContact O-N 2.75Å; D717-S721 VanDerWaalsContact O-N 3.12Å; D717-S721 PolarHBondContact O-OG 3.12Å; S721-R724 WeakPolarHBondContact O-CB 3.46Å; S721-R724 PolarHBondContact O-N 3.06Å; S721-Y725 WeakPolarHBondContact O-CD2 3.49Å; S721-Y725 PolarHBondContact O-N 2.81Å |
| 722 | L | 84.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -38.8 | 176.2 | -170.3 | 67.2 | 0 | 0 | 0 | 112.5 | V690 I694 L711 L714 Q718 K719 E720 R724 Y725 C726 W729 V742 L746 | V690-L722 HydrophobicContact CG1-CD1 3.99Å; I694-L722 HydrophobicContact CD1-CD1 4.22Å; L711-L722 HydrophobicContact CD2-CD2 3.39Å; L714-L722 HydrophobicContact CD1-CD2 4.37Å; Q718-L722 VanDerWaalsContact O-CB 3.31Å; Q718-L722 WeakPolarHBondContact O-CB 3.36Å; Q718-L722 PolarHBondContact O-N 2.88Å; K719-L722 PolarHBondContact O-N 2.79Å; E720-L722 PolarHBondContact O-N 3.31Å; L722-R724 VanDerWaalsContact C-N 3.35Å; L722-Y725 PolarHBondContact O-N 3.05Å; L722-C726 PolarHBondContact O-N 2.78Å; L722-C726 PolarHBondContact O-SG 3.43Å; L722-W729 HydrophobicContact CD1-CH2 3.94Å; L722-W729 HydrophobicContact CD1-CZ3 4.21Å; L722-V742 HydrophobicContact CD1-CG1 4.38Å; L722-V742 HydrophobicContact CD2-CG1 3.56Å; L722-V742 HydrophobicContact CG-CG1 3.85Å; L722-L746 HydrophobicContact CD2-CD1 4.31Å |
| 723 | L | 84.2 | Confident | 83.2 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 172.6 | -76.7 | 169.8 | 0 | 0 | 0 | 111 | K719 E720 Y725 C726 V727 L743 L746 L755 | K719-L723 WeakPolarHBondContact O-CG 3.35Å; K719-L723 PolarHBondContact O-N 2.67Å; E720-L723 WeakPolarHBondContact O-CB 3.26Å; E720-L723 PolarHBondContact O-N 2.88Å; L723-Y725 VanDerWaalsContact C-N 3.3Å; L723-Y725 PolarHBondContact O-N 3.21Å; L723-C726 WeakPolarHBondContact O-CB 3.37Å; L723-C726 PolarHBondContact O-N 2.91Å; L723-C726 VanDerWaalsContact O-N 3.13Å; L723-V727 WeakPolarHBondContact O-CG2 3.35Å; L723-V727 PolarHBondContact O-N 3.31Å; L723-L743 HydrophobicContact CD2-CD1 4.27Å; L723-L746 HydrophobicContact CD2-CD1 3.76Å; L723-L746 HydrophobicContact CG-CD1 4.09Å; L723-L755 HydrophobicContact CD1-CD2 4.13Å |
| 724 | R | 85.1 | Confident | 83.3 | Confident | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.7 | -42.9 | 173.8 | -176 | 179.3 | 178 | -169.5 | 1.7 | 111.7 | E720 S721 L722 V727 | E720-R724 PolarHBondContact O-N 3.31Å; S721-R724 WeakPolarHBondContact O-CB 3.46Å; S721-R724 PolarHBondContact O-N 3.06Å; L722-R724 VanDerWaalsContact C-N 3.35Å; R724-V727 WeakPolarHBondContact O-CB 3.26Å; R724-V727 PolarHBondContact O-N 3.32Å |
| 725 | Y | 87.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -34.4 | 176.2 | -60.2 | -32.5 | 0 | 0 | 0 | 113.2 | D685 P687 V690 S721 L722 L723 V727 V728 W729 | D685-Y725 VanDerWaalsContact CA-OH 3.27Å; D685-Y725 WeakPolarHBondContact CA-OH 3.21Å; D685-Y725 PolarHBondContact OD1-OH 2.78Å; P687-Y725 HydrophobicContact CB-CD1 3.65Å; P687-Y725 HydrophobicContact CB-CE1 3.77Å; P687-Y725 HydrophobicContact CB-CG 4.14Å; P687-Y725 HydrophobicContact CG-CE1 4.28Å; V690-Y725 HydrophobicContact CG1-CD2 4.44Å; S721-Y725 WeakPolarHBondContact O-CD2 3.49Å; S721-Y725 PolarHBondContact O-N 2.81Å; L722-Y725 PolarHBondContact O-N 3.05Å; L723-Y725 VanDerWaalsContact C-N 3.3Å; L723-Y725 PolarHBondContact O-N 3.21Å; Y725-V727 VanDerWaalsContact C-N 3.29Å; Y725-V727 PolarHBondContact O-N 2.93Å; Y725-V728 PolarHBondContact O-N 2.85Å; Y725-W729 VanDerWaalsContact O-CG 3.27Å; Y725-W729 PolarHBondContact O-N 3.44Å |
| 726 | C | 85.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -36.4 | 175.4 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | L722 L723 V728 W729 N730 | L722-C726 PolarHBondContact O-N 2.78Å; L722-C726 PolarHBondContact O-SG 3.43Å; L723-C726 WeakPolarHBondContact O-CB 3.37Å; L723-C726 PolarHBondContact O-N 2.91Å; L723-C726 VanDerWaalsContact O-N 3.13Å; C726-V728 PolarHBondContact O-N 3.47Å; C726-W729 PolarHBondContact O-N 2.78Å; C726-N730 VanDerWaalsContact O-CB 3.25Å; C726-N730 WeakPolarHBondContact O-CB 3.32Å; C726-N730 PolarHBondContact O-N 2.9Å |
| 727 | V | 85 | Confident | 83.9 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -52.3 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | L723 R724 Y725 W729 N730 T731 H764 L768 | L723-V727 WeakPolarHBondContact O-CG2 3.35Å; L723-V727 PolarHBondContact O-N 3.31Å; R724-V727 WeakPolarHBondContact O-CB 3.26Å; R724-V727 PolarHBondContact O-N 3.32Å; Y725-V727 VanDerWaalsContact C-N 3.29Å; Y725-V727 PolarHBondContact O-N 2.93Å; V727-W729 VanDerWaalsContact C-N 3.34Å; V727-W729 PolarHBondContact O-N 2.9Å; V727-N730 PolarHBondContact O-N 3.35Å; V727-T731 WeakPolarHBondContact O-CG2 3.23Å; V727-T731 PolarHBondContact O-N 2.96Å; V727-H764 HydrophobicContact CG2-CB 3.77Å; V727-L768 HydrophobicContact CB-CD2 4.49Å; V727-L768 HydrophobicContact CG2-CD1 4.25Å; V727-L768 HydrophobicContact CG2-CD2 4.37Å; V727-L768 HydrophobicContact CG2-CG 4.03Å |
| 728 | V | 86.7 | Confident | 84.2 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | Y725 C726 T731 | Y725-V728 PolarHBondContact O-N 2.85Å; C726-V728 PolarHBondContact O-N 3.47Å; V728-T731 PolarHBondContact O-OG1 2.92Å |
| 729 | W | 87.6 | Confident | 84.4 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.6 | -32.5 | -179.9 | -60.1 | -17.9 | 0 | 0 | 0 | 113.6 | P687 V690 L691 I694 L722 Y725 C726 V727 T731 N732 N735 A739 | P687-W729 WeakPolarHBondContact O-CZ2 3.35Å; V690-W729 HydrophobicContact CB-CH2 4.31Å; V690-W729 HydrophobicContact CB-CZ2 4.1Å; V690-W729 HydrophobicContact CG1-CH2 3.5Å; V690-W729 HydrophobicContact CG1-CZ2 3.79Å; L691-W729 HydrophobicContact CB-CZ2 3.88Å; L691-W729 HydrophobicContact CD1-CB 4.34Å; L691-W729 HydrophobicContact CD1-CD2 3.54Å; L691-W729 HydrophobicContact CD1-CE3 4.19Å; L691-W729 HydrophobicContact CD1-CG 3.59Å; L691-W729 HydrophobicContact CD1-CZ2 4.36Å; I694-W729 HydrophobicContact CD1-CH2 3.22Å; I694-W729 HydrophobicContact CD1-CZ2 4.3Å; I694-W729 HydrophobicContact CD1-CZ3 3.34Å; L722-W729 HydrophobicContact CD1-CH2 3.94Å; L722-W729 HydrophobicContact CD1-CZ3 4.21Å; Y725-W729 VanDerWaalsContact O-CG 3.27Å; Y725-W729 PolarHBondContact O-N 3.44Å; C726-W729 PolarHBondContact O-N 2.78Å; V727-W729 VanDerWaalsContact C-N 3.34Å; V727-W729 PolarHBondContact O-N 2.9Å; W729-T731 VanDerWaalsContact C-N 3.32Å; W729-T731 PolarHBondContact O-N 2.79Å; W729-N732 PolarHBondContact O-N 3.21Å; W729-N735 HydrophobicContact CB-CB 4.41Å; W729-A739 HydrophobicContact CB-CB 3.8Å; W729-A739 HydrophobicContact CE3-CB 4.4Å |
| 730 | N | 87.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.5 | -22.9 | -177.4 | -159.1 | 34.2 | 0 | 0 | 0 | 113.2 | C726 V727 N732 A739 Q740 L768 T772 H775 | C726-N730 VanDerWaalsContact O-CB 3.25Å; C726-N730 WeakPolarHBondContact O-CB 3.32Å; C726-N730 PolarHBondContact O-N 2.9Å; V727-N730 PolarHBondContact O-N 3.35Å; N730-N732 PolarHBondContact O-N 2.81Å; N730-A739 HydrophobicContact CB-CB 4.33Å; N730-Q740 PolarHBondContact ND2-NE2 3.38Å; N730-Q740 PolarHBondContact OD1-NE2 3.03Å; N730-L768 HydrophobicContact CB-CD2 3.62Å; N730-L768 WeakPolarHBondContact ND2-CD2 3.48Å; N730-L768 PolarHBondContact ND2-O 3.02Å; N730-T772 WeakPolarHBondContact ND2-CG2 3.47Å; N730-H775 PolarHBondContact O-NE2 2.83Å |
| 731 | T | 85.4 | Confident | 84.6 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -31.6 | 171.5 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | V727 V728 W729 Y771 | V727-T731 WeakPolarHBondContact O-CG2 3.23Å; V727-T731 PolarHBondContact O-N 2.96Å; V728-T731 PolarHBondContact O-OG1 2.92Å; W729-T731 VanDerWaalsContact C-N 3.32Å; W729-T731 PolarHBondContact O-N 2.79Å; T731-Y771 HydrophobicContact CG2-CE1 4.4Å; T731-Y771 HydrophobicContact CG2-CE2 4.23Å |
| 732 | N | 86.3 | Confident | 84.7 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -93.2 | 120.9 | -178.5 | -171.6 | -21 | 0 | 0 | 0 | 111.6 | W729 N730 R734 N735 C736 | W729-N732 PolarHBondContact O-N 3.21Å; N730-N732 PolarHBondContact O-N 2.81Å; N732-R734 PolarHBondContact O-N 3.06Å; N732-R734 PolarHBondContact OD1-N 3.38Å; N732-N735 HydrophobicContact CB-CB 4.46Å; N732-N735 PolarHBondContact O-N 3.1Å; N732-N735 VanDerWaalsContact O-N 3.14Å; N732-C736 PolarHBondContact O-N 2.85Å; N732-C736 VanDerWaalsContact O-N 3.1Å |
| 733 | A | 78.9 | Confident | 84.8 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 39% | 0.388 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C736 | A733-C736 PolarHBondContact O-SG 3.12Š|
| 734 | R | 83.8 | Confident | 84.9 | Confident | 214 Ų | 214 | 51.2 Ų | 51.2 | 81% | 0.808 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -33.7 | 176.7 | -68.2 | -175.7 | 180 | 179.3 | 1 | 113.4 | N732 | N732-R734 PolarHBondContact O-N 3.06Å; N732-R734 PolarHBondContact OD1-N 3.38Å |
| 735 | N | 83.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 45 Ų | 45 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -1.7 | -176.2 | -62 | -14.2 | 0 | 0 | 0 | 112.2 | L691 K695 W729 N732 L737 D738 A739 | L691-N735 HydrophobicContact CD1-CB 4.14Å; K695-N735 WeakPolarHBondContact CE-OD1 3.34Å; K695-N735 PolarHBondContact NZ-OD1 3.4Å; W729-N735 HydrophobicContact CB-CB 4.41Å; N732-N735 HydrophobicContact CB-CB 4.46Å; N732-N735 PolarHBondContact O-N 3.1Å; N732-N735 VanDerWaalsContact O-N 3.14Å; N735-L737 VanDerWaalsContact C-N 3.31Å; N735-L737 PolarHBondContact O-N 3.04Å; N735-D738 PolarHBondContact O-N 2.83Å; N735-A739 PolarHBondContact O-N 3.12Å |
| 736 | C | 82.5 | Confident | 84.5 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | N732 A733 D738 A739 Q740 | N732-C736 PolarHBondContact O-N 2.85Å; N732-C736 VanDerWaalsContact O-N 3.1Å; A733-C736 PolarHBondContact O-SG 3.12Å; C736-D738 VanDerWaalsContact C-N 3.29Å; C736-D738 PolarHBondContact O-N 3.26Å; C736-A739 PolarHBondContact O-N 3.28Å; C736-Q740 WeakPolarHBondContact O-CB 3.08Å; C736-Q740 VanDerWaalsContact O-CG 3.28Å; C736-Q740 WeakPolarHBondContact O-CG 3.29Å; C736-Q740 PolarHBondContact O-N 2.97Å |
| 737 | L | 82.3 | Confident | 84.4 | Confident | 99 Ų | 99 | 48.9 Ų | 48.9 | 52% | 0.518 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | -178.4 | -64.1 | 176.4 | 0 | 0 | 0 | 112.4 | N735 A741 | N735-L737 VanDerWaalsContact C-N 3.31Å; N735-L737 PolarHBondContact O-N 3.04Å; L737-A741 WeakPolarHBondContact O-CB 3.39Å; L737-A741 PolarHBondContact O-N 2.89Å |
| 738 | D | 84.1 | Confident | 84.4 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 177.5 | -59.7 | -48.3 | 0 | 0 | 0 | 110.9 | I694 K695 R698 N735 C736 A741 V742 | I694-D738 HydrophobicContact CG2-CB 4.12Å; K695-D738 WeakPolarHBondContact CE-OD2 3.27Å; K695-D738 VanDerWaalsContact CG-OD2 3.31Å; K695-D738 WeakPolarHBondContact CG-OD2 3.17Å; R698-D738 WeakPolarHBondContact CD-OD1 3.28Å; R698-D738 IonicContact CZ-OD1 3.21Å; R698-D738 IonicContact NE-OD1 3.44Å; R698-D738 PolarHBondContact NE-OD1 3.18Å; R698-D738 VanDerWaalsContact NH1-CG 3.33Å; R698-D738 IonicContact NH1-OD1 2.65Å; R698-D738 PolarHBondContact NH1-OD1 2.87Å; R698-D738 IonicContact NH1-OD2 2.7Å; N735-D738 PolarHBondContact O-N 2.83Å; C736-D738 VanDerWaalsContact C-N 3.29Å; C736-D738 PolarHBondContact O-N 3.26Å; D738-A741 PolarHBondContact O-N 3.44Å; D738-V742 WeakPolarHBondContact O-CG2 3.4Å; D738-V742 PolarHBondContact O-N 3.42Å |
| 739 | A | 84.8 | Confident | 84 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W729 N730 N735 C736 V742 L743 | W729-A739 HydrophobicContact CB-CB 3.8Å; W729-A739 HydrophobicContact CE3-CB 4.4Å; N730-A739 HydrophobicContact CB-CB 4.33Å; N735-A739 PolarHBondContact O-N 3.12Å; C736-A739 PolarHBondContact O-N 3.28Å; A739-V742 PolarHBondContact O-N 2.93Å; A739-L743 VanDerWaalsContact O-CB 3.31Å; A739-L743 WeakPolarHBondContact O-CB 3.45Å; A739-L743 PolarHBondContact O-N 3.05Å |
| 740 | Q | 84.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 177.9 | -69.1 | -50.4 | -51 | 0 | 0 | 112.4 | N730 C736 L743 Q744 | N730-Q740 PolarHBondContact ND2-NE2 3.38Å; N730-Q740 PolarHBondContact OD1-NE2 3.03Å; C736-Q740 WeakPolarHBondContact O-CB 3.08Å; C736-Q740 VanDerWaalsContact O-CG 3.28Å; C736-Q740 WeakPolarHBondContact O-CG 3.29Å; C736-Q740 PolarHBondContact O-N 2.97Å; Q740-L743 PolarHBondContact O-N 2.68Å; Q740-Q744 VanDerWaalsContact O-CB 3.25Å; Q740-Q744 WeakPolarHBondContact O-CB 3.16Å; Q740-Q744 PolarHBondContact O-N 3.49Å |
| 741 | A | 83.7 | Confident | 83.2 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L707 L737 D738 V745 | L707-A741 HydrophobicContact CD2-CB 4.31Å; L737-A741 WeakPolarHBondContact O-CB 3.39Å; L737-A741 PolarHBondContact O-N 2.89Å; D738-A741 PolarHBondContact O-N 3.44Å; A741-V745 WeakPolarHBondContact O-CG2 3.42Å; A741-V745 PolarHBondContact O-N 3.04Å |
| 742 | V | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 174.7 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I694 L707 L711 L722 D738 A739 Q744 V745 L746 | I694-V742 HydrophobicContact CD1-CG2 3.99Å; I694-V742 HydrophobicContact CG1-CG2 4.4Å; I694-V742 HydrophobicContact CG2-CG2 3.96Å; L707-V742 HydrophobicContact CD2-CG2 4.42Å; L711-V742 HydrophobicContact CD1-CB 4.48Å; L711-V742 HydrophobicContact CD1-CG1 4.08Å; L711-V742 HydrophobicContact CD1-CG2 4.46Å; L722-V742 HydrophobicContact CD1-CG1 4.38Å; L722-V742 HydrophobicContact CD2-CG1 3.56Å; L722-V742 HydrophobicContact CG-CG1 3.85Å; D738-V742 WeakPolarHBondContact O-CG2 3.4Å; D738-V742 PolarHBondContact O-N 3.42Å; A739-V742 PolarHBondContact O-N 2.93Å; V742-Q744 VanDerWaalsContact C-N 3.34Å; V742-Q744 PolarHBondContact O-N 3.35Å; V742-V745 PolarHBondContact O-N 2.93Å; V742-L746 HydrophobicContact CG1-CD1 3.89Å; V742-L746 HydrophobicContact CG1-CG 4.36Å; V742-L746 WeakPolarHBondContact O-CG 3.44Å; V742-L746 PolarHBondContact O-N 3.29Å |
| 743 | L | 86.2 | Confident | 82.3 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.3 | -173.7 | 66.4 | 0 | 0 | 0 | 111.7 | L723 A739 Q740 V745 L746 L747 L768 | L723-L743 HydrophobicContact CD2-CD1 4.27Å; A739-L743 VanDerWaalsContact O-CB 3.31Å; A739-L743 WeakPolarHBondContact O-CB 3.45Å; A739-L743 PolarHBondContact O-N 3.05Å; Q740-L743 PolarHBondContact O-N 2.68Å; L743-V745 PolarHBondContact O-N 3.1Å; L743-L746 PolarHBondContact O-N 2.87Å; L743-L747 HydrophobicContact CD1-CD1 4Å; L743-L747 HydrophobicContact CD1-CG 4.14Å; L743-L747 HydrophobicContact CD2-CD1 4.37Å; L743-L747 HydrophobicContact CG-CD1 3.79Å; L743-L747 HydrophobicContact CG-CG 4.28Å; L743-L747 WeakPolarHBondContact O-CB 3.34Å; L743-L747 VanDerWaalsContact O-CG 3.3Å; L743-L747 WeakPolarHBondContact O-CG 3.42Å; L743-L747 PolarHBondContact O-N 3.45Å; L743-L768 HydrophobicContact CD1-CD1 4.35Å |
| 744 | Q | 86.5 | Confident | 82.2 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.5 | -50.5 | 175.6 | -179.9 | -178.6 | -6.7 | 0 | 0 | 110.6 | Q740 V742 L746 L747 T748 | Q740-Q744 VanDerWaalsContact O-CB 3.25Å; Q740-Q744 WeakPolarHBondContact O-CB 3.16Å; Q740-Q744 PolarHBondContact O-N 3.49Å; V742-Q744 VanDerWaalsContact C-N 3.34Å; V742-Q744 PolarHBondContact O-N 3.35Å; Q744-L746 PolarHBondContact O-N 3Å; Q744-L747 PolarHBondContact O-N 3.4Å; Q744-T748 WeakPolarHBondContact O-CG2 3.42Å; Q744-T748 PolarHBondContact O-N 3.16Å; Q744-T748 PolarHBondContact O-OG1 3.26Å |
| 745 | V | 82.8 | Confident | 81.6 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | L707 E708 L711 A741 V742 L743 T748 H749 | L707-V745 HydrophobicContact CD2-CG2 4.4Å; E708-V745 HydrophobicContact CB-CG1 4.42Å; E708-V745 HydrophobicContact CG-CG1 4.34Å; L711-V745 HydrophobicContact CB-CG1 3.92Å; L711-V745 HydrophobicContact CD1-CB 3.8Å; L711-V745 HydrophobicContact CD1-CG1 3.65Å; L711-V745 HydrophobicContact CD1-CG2 4.46Å; L711-V745 HydrophobicContact CG-CG1 4.35Å; A741-V745 WeakPolarHBondContact O-CG2 3.42Å; A741-V745 PolarHBondContact O-N 3.04Å; V742-V745 PolarHBondContact O-N 2.93Å; L743-V745 PolarHBondContact O-N 3.1Å; V745-T748 WeakPolarHBondContact CA-OG1 3.45Å; V745-T748 PolarHBondContact O-OG1 3.06Å; V745-T748 VanDerWaalsContact O-OG1 3.09Å; V745-H749 PolarHBondContact O-CD2 3.35Å; V745-H749 VanDerWaalsContact O-CD2 3.28Å; V745-H749 PolarHBondContact O-N 3.27Å |
| 746 | L | 82.1 | Confident | 81.1 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 178 | -71.8 | 173.2 | 0 | 0 | 0 | 111.6 | K719 L722 L723 V742 L743 Q744 L750 | K719-L746 HydrophobicContact CG-CD2 4.29Å; L722-L746 HydrophobicContact CD2-CD1 4.31Å; L723-L746 HydrophobicContact CD2-CD1 3.76Å; L723-L746 HydrophobicContact CG-CD1 4.09Å; V742-L746 HydrophobicContact CG1-CD1 3.89Å; V742-L746 HydrophobicContact CG1-CG 4.36Å; V742-L746 WeakPolarHBondContact O-CG 3.44Å; V742-L746 PolarHBondContact O-N 3.29Å; L743-L746 PolarHBondContact O-N 2.87Å; Q744-L746 PolarHBondContact O-N 3Å; L746-L750 HydrophobicContact CB-CD1 4.38Å; L746-L750 HydrophobicContact CD2-CD1 4.01Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.16Å; L746-L750 WeakPolarHBondContact O-CG 3.29Å; L746-L750 PolarHBondContact O-N 2.67Å |
| 747 | L | 83.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 48% | 0.482 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.6 | -28 | -178.2 | -68.6 | 176.3 | 0 | 0 | 0 | 113.6 | L743 Q744 H749 L755 | L743-L747 HydrophobicContact CD1-CD1 4Å; L743-L747 HydrophobicContact CD1-CG 4.14Å; L743-L747 HydrophobicContact CD2-CD1 4.37Å; L743-L747 HydrophobicContact CG-CD1 3.79Å; L743-L747 HydrophobicContact CG-CG 4.28Å; L743-L747 WeakPolarHBondContact O-CB 3.34Å; L743-L747 VanDerWaalsContact O-CG 3.3Å; L743-L747 WeakPolarHBondContact O-CG 3.42Å; L743-L747 PolarHBondContact O-N 3.45Å; Q744-L747 PolarHBondContact O-N 3.4Å; L747-H749 VanDerWaalsContact C-N 3.32Å; L747-L755 HydrophobicContact CD2-CD1 4.18Å |
| 748 | T | 84.8 | Confident | 80.5 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.8 | -27.1 | 175.7 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | Q744 V745 | Q744-T748 WeakPolarHBondContact O-CG2 3.42Å; Q744-T748 PolarHBondContact O-N 3.16Å; Q744-T748 PolarHBondContact O-OG1 3.26Å; V745-T748 WeakPolarHBondContact CA-OG1 3.45Å; V745-T748 PolarHBondContact O-OG1 3.06Å; V745-T748 VanDerWaalsContact O-OG1 3.09Å |
| 749 | H | 78.9 | Confident | 79.6 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 35% | 0.352 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -109.2 | -20.1 | -171.6 | -73.8 | -67.3 | 0 | 0 | 0 | 115.2 | E708 L712 V745 L747 | E708-H749 WeakPolarHBondContact CG-NE2 3.41Å; E708-H749 IonicContact OE1-CD2 2.87Å; E708-H749 IonicContact OE1-CE1 3.68Å; E708-H749 PolarHBondContact OE1-CE1 2.74Å; E708-H749 IonicContact OE1-NE2 3.57Å; E708-H749 PolarHBondContact OE1-NE2 3.07Å; L712-H749 HydrophobicContact CD2-CB 3.68Å; V745-H749 PolarHBondContact O-CD2 3.35Å; V745-H749 VanDerWaalsContact O-CD2 3.28Å; V745-H749 PolarHBondContact O-N 3.27Å; L747-H749 VanDerWaalsContact C-N 3.32Å |
| 750 | L | 77.9 | Confident | 78.9 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -101 | 126.1 | -179.9 | -66.2 | 169.7 | 0 | 0 | 0 | 111.4 | K719 L746 L755 | K719-L750 HydrophobicContact CD-CD1 4.29Å; K719-L750 HydrophobicContact CD-CD2 4.33Å; L746-L750 HydrophobicContact CB-CD1 4.38Å; L746-L750 HydrophobicContact CD2-CD1 4.01Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.16Å; L746-L750 WeakPolarHBondContact O-CG 3.29Å; L746-L750 PolarHBondContact O-N 2.67Å; L750-L755 HydrophobicContact CB-CD1 4.49Å; L750-L755 HydrophobicContact CB-CD2 4.4Å; L750-L755 HydrophobicContact CB-CG 4.26Å; L750-L755 HydrophobicContact CD1-CD2 3.96Å |
| 751 | P | 80.3 | Confident | 78.5 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | trans | -70.1 | 150.4 | 172.4 | 30.2 | -33.7 | 0 | 0 | 0 | 110.9 | E753 E754 L755 | P751-E753 PolarHBondContact O-N 3.46Å; P751-E753 VanDerWaalsContact O-N 3.11Å; P751-E754 HydrophobicContact CG-CB 4.18Å; P751-E754 HydrophobicContact CG-CG 3.82Å; P751-E754 PolarHBondContact O-N 2.87Å; P751-E754 VanDerWaalsContact O-N 3.14Å; P751-L755 PolarHBondContact O-N 2.91Å | ||
| 752 | P | 75.6 | Confident | 78.2 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -57.2 | -28.4 | -179.5 | -26.4 | 34.6 | 0 | 0 | 0 | 114.8 | L755 L756 | P752-L755 PolarHBondContact O-N 3.15Å; P752-L756 WeakPolarHBondContact O-CG 3.44Å; P752-L756 PolarHBondContact O-N 3.18Å |
| 753 | E | 77.3 | Confident | 78.2 | Confident | 156 Ų | 156 | 80 Ų | 80 | 73% | 0.729 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67.3 | -35.8 | 179.5 | -63.9 | -177.5 | 179.9 | 0 | 0 | 112.7 | P751 | P751-E753 PolarHBondContact O-N 3.46Å; P751-E753 VanDerWaalsContact O-N 3.11Å |
| 754 | E | 75.5 | Confident | 77.9 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -75 | -32.4 | 176.8 | -72.3 | -179.3 | -173.7 | 0 | 0 | 111.4 | P751 L756 Q757 | P751-E754 HydrophobicContact CG-CB 4.18Å; P751-E754 HydrophobicContact CG-CG 3.82Å; P751-E754 PolarHBondContact O-N 2.87Å; P751-E754 VanDerWaalsContact O-N 3.14Å; E754-L756 VanDerWaalsContact C-N 3.3Å; E754-L756 PolarHBondContact O-N 2.78Å; E754-Q757 PolarHBondContact O-N 2.76Å |
| 755 | L | 72.7 | Confident | 77.7 | Confident | 21 Ų | 21 | 77.9 Ų | 77.9 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 176.5 | -71.4 | 170.4 | 0 | 0 | 0 | 112.8 | L723 L747 L750 P751 P752 Q757 F758 A761 | L723-L755 HydrophobicContact CD1-CD2 4.13Å; L747-L755 HydrophobicContact CD2-CD1 4.18Å; L750-L755 HydrophobicContact CB-CD1 4.49Å; L750-L755 HydrophobicContact CB-CD2 4.4Å; L750-L755 HydrophobicContact CB-CG 4.26Å; L750-L755 HydrophobicContact CD1-CD2 3.96Å; P751-L755 PolarHBondContact O-N 2.91Å; P752-L755 PolarHBondContact O-N 3.15Å; L755-Q757 VanDerWaalsContact C-N 3.3Å; L755-F758 HydrophobicContact CD2-CD2 4.11Å; L755-F758 HydrophobicContact CD2-CE2 4.05Å; L755-F758 PolarHBondContact O-N 2.85Å; L755-A761 VanDerWaalsContact O-CB 3.3Å; L755-A761 WeakPolarHBondContact O-CB 3.5Å |
| 756 | L | 72 | Confident | 77.8 | Confident | 144 Ų | 144 | 81.7 Ų | 81.7 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -18.6 | 176.9 | -72.1 | 170.9 | 0 | 0 | 0 | 113.4 | P752 E754 F758 | P752-L756 WeakPolarHBondContact O-CG 3.44Å; P752-L756 PolarHBondContact O-N 3.18Å; E754-L756 VanDerWaalsContact C-N 3.3Å; E754-L756 PolarHBondContact O-N 2.78Å; L756-F758 VanDerWaalsContact C-N 3.32Å |
| 757 | Q | 77.8 | Confident | 77.9 | Confident | 157 Ų | 157 | 82.8 Ų | 82.8 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -20.4 | 176.3 | -66.6 | 178.5 | 13.3 | 0 | 0 | 112.5 | E754 L755 | E754-Q757 PolarHBondContact O-N 2.76Å; L755-Q757 VanDerWaalsContact C-N 3.3Å |
| 758 | F | 75.1 | Confident | 78.1 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -72.5 | 137.2 | 175.8 | -63.3 | -51.4 | 0 | 0 | 0 | 111.6 | A716 E720 L755 L756 G760 A761 | A716-F758 HydrophobicContact CB-CE1 3.84Å; A716-F758 HydrophobicContact CB-CZ 4.31Å; A716-F758 WeakPolarHBondContact O-CE1 3.28Å; E720-F758 HydrophobicContact CB-CD1 4.14Å; E720-F758 HydrophobicContact CB-CG 4.44Å; E720-F758 HydrophobicContact CG-CB 4.31Å; L755-F758 HydrophobicContact CD2-CD2 4.11Å; L755-F758 HydrophobicContact CD2-CE2 4.05Å; L755-F758 PolarHBondContact O-N 2.85Å; L756-F758 VanDerWaalsContact C-N 3.32Å; F758-G760 PolarHBondContact O-N 2.85Å; F758-A761 HydrophobicContact CB-CB 3.84Å |
| 759 | Q | 65.5 | Low | 78.2 | Confident | 165 Ų | 165 | 78.4 Ų | 78.4 | 77% | 0.771 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 129.5 | 176.4 | -63.2 | -173.5 | -1.7 | 0 | 0 | 108.8 | A761 | Q759-A761 VanDerWaalsContact C-N 3.29Å; Q759-A761 PolarHBondContact O-N 2.89Å |
| 760 | G | 70.2 | Confident | 78.8 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 36% | 0.361 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | F758 R762 T763 H764 | F758-G760 PolarHBondContact O-N 2.85Å; G760-R762 PolarHBondContact O-N 2.83Å; G760-T763 PolarHBondContact O-N 2.88Å; G760-T763 PolarHBondContact O-OG1 3.24Å; G760-H764 PolarHBondContact O-CD2 3.12Å; G760-H764 PolarHBondContact O-N 3.48Å; G760-H764 VanDerWaalsContact O-N 3.12Å |
| 761 | A | 74.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 82 Ų | 82 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.7 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L755 F758 Q759 H764 L765 | L755-A761 VanDerWaalsContact O-CB 3.3Å; L755-A761 WeakPolarHBondContact O-CB 3.5Å; F758-A761 HydrophobicContact CB-CB 3.84Å; Q759-A761 VanDerWaalsContact C-N 3.29Å; Q759-A761 PolarHBondContact O-N 2.89Å; A761-H764 PolarHBondContact O-N 2.89Å; A761-L765 WeakPolarHBondContact O-CB 3.02Å; A761-L765 VanDerWaalsContact O-CG 3.26Å; A761-L765 WeakPolarHBondContact O-CG 3.37Å; A761-L765 PolarHBondContact O-N 3.07Å |
| 762 | R | 78.8 | Confident | 79.6 | Confident | 182 Ų | 182 | 81 Ų | 81 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 176.3 | -176.9 | 176.1 | 176.9 | 169.3 | 1.4 | 112.3 | G760 H764 L765 E766 | G760-R762 PolarHBondContact O-N 2.83Å; R762-H764 VanDerWaalsContact C-N 3.31Å; R762-H764 PolarHBondContact O-N 2.84Å; R762-L765 PolarHBondContact O-N 3.16Å; R762-E766 HydrophobicContact CG-CG 4.47Å; R762-E766 WeakPolarHBondContact CG-OE1 3.33Å; R762-E766 IonicContact CZ-OE1 3.96Å; R762-E766 IonicContact NE-OE1 3.43Å; R762-E766 PolarHBondContact NE-OE1 3.27Å; R762-E766 IonicContact NH2-OE1 3.65Å; R762-E766 WeakPolarHBondContact O-CB 3.17Å; R762-E766 WeakPolarHBondContact O-CG 3.31Å; R762-E766 PolarHBondContact O-N 2.97Å |
| 763 | T | 83.9 | Confident | 80.3 | Confident | 90 Ų | 90 | 82 Ų | 82 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -37.6 | -179 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | G760 G767 | G760-T763 PolarHBondContact O-N 2.88Å; G760-T763 PolarHBondContact O-OG1 3.24Å; T763-G767 PolarHBondContact O-N 2.95Å |
| 764 | H | 81.4 | Confident | 80.9 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 20% | 0.204 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 174.7 | -65.6 | -36.3 | 0 | 0 | 0 | 113 | V727 G760 A761 R762 G767 L768 | V727-H764 HydrophobicContact CG2-CB 3.77Å; G760-H764 PolarHBondContact O-CD2 3.12Å; G760-H764 PolarHBondContact O-N 3.48Å; G760-H764 VanDerWaalsContact O-N 3.12Å; A761-H764 PolarHBondContact O-N 2.89Å; R762-H764 VanDerWaalsContact C-N 3.31Å; R762-H764 PolarHBondContact O-N 2.84Å; H764-G767 PolarHBondContact O-N 3.2Å; H764-L768 WeakPolarHBondContact O-CG 3.36Å; H764-L768 PolarHBondContact O-N 2.71Å |
| 765 | L | 81.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 29% | 0.293 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70 | -42.6 | 176.8 | -73.1 | 170.6 | 0 | 0 | 0 | 112.4 | A761 R762 G767 L768 I769 | A761-L765 WeakPolarHBondContact O-CB 3.02Å; A761-L765 VanDerWaalsContact O-CG 3.26Å; A761-L765 WeakPolarHBondContact O-CG 3.37Å; A761-L765 PolarHBondContact O-N 3.07Å; R762-L765 PolarHBondContact O-N 3.16Å; L765-G767 PolarHBondContact O-N 3.08Å; L765-L768 HydrophobicContact CD2-CD1 4.39Å; L765-L768 PolarHBondContact O-N 2.86Å; L765-I769 WeakPolarHBondContact O-CG1 3.5Å; L765-I769 PolarHBondContact O-N 3.29Å |
| 766 | E | 85.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 84.3 Ų | 84.3 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 174.3 | -75 | 173.4 | -175.8 | 0 | 0 | 111.1 | R762 L768 P770 | R762-E766 HydrophobicContact CG-CG 4.47Å; R762-E766 WeakPolarHBondContact CG-OE1 3.33Å; R762-E766 IonicContact CZ-OE1 3.96Å; R762-E766 IonicContact NE-OE1 3.43Å; R762-E766 PolarHBondContact NE-OE1 3.27Å; R762-E766 IonicContact NH2-OE1 3.65Å; R762-E766 WeakPolarHBondContact O-CB 3.17Å; R762-E766 WeakPolarHBondContact O-CG 3.31Å; R762-E766 PolarHBondContact O-N 2.97Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 3.08Å; E766-P770 VanDerWaalsContact O-CD 3.28Å; E766-P770 WeakPolarHBondContact O-CD 3.29Å |
| 767 | G | 83.5 | Confident | 83.2 | Confident | 29 Ų | 29 | 83 Ų | 83 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68 | -23.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T763 H764 L765 Y771 | T763-G767 PolarHBondContact O-N 2.95Å; H764-G767 PolarHBondContact O-N 3.2Å; L765-G767 PolarHBondContact O-N 3.08Å; G767-Y771 VanDerWaalsContact O-CD2 3.31Å; G767-Y771 WeakPolarHBondContact O-CD2 3.47Å |
| 768 | L | 86.9 | Confident | 83.7 | Confident | 6 Ų | 6 | 82.2 Ų | 82.2 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -82.3 | -35.5 | -178.5 | -78.8 | 166.1 | 0 | 0 | 0 | 113.3 | V727 N730 L743 H764 L765 E766 Y771 T772 | V727-L768 HydrophobicContact CB-CD2 4.49Å; V727-L768 HydrophobicContact CG2-CD1 4.25Å; V727-L768 HydrophobicContact CG2-CD2 4.37Å; V727-L768 HydrophobicContact CG2-CG 4.03Å; N730-L768 HydrophobicContact CB-CD2 3.62Å; N730-L768 WeakPolarHBondContact ND2-CD2 3.48Å; N730-L768 PolarHBondContact ND2-O 3.02Å; L743-L768 HydrophobicContact CD1-CD1 4.35Å; H764-L768 WeakPolarHBondContact O-CG 3.36Å; H764-L768 PolarHBondContact O-N 2.71Å; L765-L768 HydrophobicContact CD2-CD1 4.39Å; L765-L768 PolarHBondContact O-N 2.86Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 3.08Å; L768-Y771 PolarHBondContact O-N 3.31Å; L768-T772 WeakPolarHBondContact O-CG2 3.09Å; L768-T772 PolarHBondContact O-N 3.27Å; L768-T772 PolarHBondContact O-OG1 3.5Å |
| 769 | I | 87.3 | Confident | 84.3 | Confident | 88 Ų | 88 | 85 Ų | 85 | 45% | 0.451 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.5 | -49.7 | -170.2 | -66.6 | 161.3 | 0 | 0 | 0 | 113.2 | L765 Y771 T772 E773 | L765-I769 WeakPolarHBondContact O-CG1 3.5Å; L765-I769 PolarHBondContact O-N 3.29Å; I769-Y771 PolarHBondContact O-N 3.38Å; I769-T772 PolarHBondContact O-N 2.73Å; I769-T772 PolarHBondContact O-OG1 3.02Å; I769-E773 HydrophobicContact CG2-CG 4.43Å; I769-E773 WeakPolarHBondContact O-CG 3.19Å; I769-E773 PolarHBondContact O-N 3.27Å |
| 770 | P | 90.5 | Very high | 85.5 | Confident | 77 Ų | 77 | 78.1 Ų | 78.1 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -32.5 | -177.4 | -22.7 | 34.3 | 0 | 0 | 0 | 112.9 | E766 R774 | E766-P770 VanDerWaalsContact O-CD 3.28Å; E766-P770 WeakPolarHBondContact O-CD 3.29Å; P770-R774 WeakPolarHBondContact O-CB 3.32Å; P770-R774 PolarHBondContact O-N 3.32Å |
| 771 | Y | 88.9 | Confident | 86.6 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -75.2 | -39 | 178.3 | -70 | -79.6 | 0 | 0 | 0 | 111.9 | T731 G767 L768 I769 R774 H775 | T731-Y771 HydrophobicContact CG2-CE1 4.4Å; T731-Y771 HydrophobicContact CG2-CE2 4.23Å; G767-Y771 VanDerWaalsContact O-CD2 3.31Å; G767-Y771 WeakPolarHBondContact O-CD2 3.47Å; L768-Y771 PolarHBondContact O-N 3.31Å; I769-Y771 PolarHBondContact O-N 3.38Å; Y771-R774 PolarHBondContact O-N 3.07Å; Y771-H775 PolarHBondContact O-CD2 2.94Å; Y771-H775 VanDerWaalsContact O-CG 3.31Å; Y771-H775 PolarHBondContact O-N 2.87Å |
| 772 | T | 88 | Confident | 87.3 | Confident | 37 Ų | 37 | 89 Ų | 89 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 176 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | N730 L768 I769 R774 H775 M776 | N730-T772 WeakPolarHBondContact ND2-CG2 3.47Å; L768-T772 WeakPolarHBondContact O-CG2 3.09Å; L768-T772 PolarHBondContact O-N 3.27Å; L768-T772 PolarHBondContact O-OG1 3.5Å; I769-T772 PolarHBondContact O-N 2.73Å; I769-T772 PolarHBondContact O-OG1 3.02Å; T772-R774 PolarHBondContact O-N 3.38Å; T772-H775 PolarHBondContact O-N 3.28Å; T772-M776 WeakPolarHBondContact O-CB 3.29Å; T772-M776 PolarHBondContact O-N 3.5Å |
| 773 | E | 90.4 | Very high | 87.8 | Confident | 119 Ų | 119 | 86.4 Ų | 86.4 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.5 | -46.8 | 174.5 | -73.1 | -178.9 | 168.4 | 0 | 0 | 111.6 | I769 H775 M776 E777 | I769-E773 HydrophobicContact CG2-CG 4.43Å; I769-E773 WeakPolarHBondContact O-CG 3.19Å; I769-E773 PolarHBondContact O-N 3.27Å; E773-H775 VanDerWaalsContact C-N 3.33Å; E773-H775 PolarHBondContact O-N 3.18Å; E773-M776 PolarHBondContact O-N 3.06Å; E773-M776 VanDerWaalsContact O-N 3.14Å; E773-E777 PolarHBondContact O-N 2.91Å |
| 774 | R | 89.7 | Confident | 88.1 | Confident | 178 Ų | 178 | 89 Ų | 89 | 67% | 0.672 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177 | -172.7 | 179.3 | -178 | -177.5 | 2.6 | 112.6 | P770 Y771 T772 R778 | P770-R774 WeakPolarHBondContact O-CB 3.32Å; P770-R774 PolarHBondContact O-N 3.32Å; Y771-R774 PolarHBondContact O-N 3.07Å; T772-R774 PolarHBondContact O-N 3.38Å; R774-R778 PolarHBondContact O-N 3.29Å |
| 775 | H | 87.2 | Confident | 88.6 | Confident | 22 Ų | 22 | 89.9 Ų | 89.9 | 10% | 0.102 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 176.4 | -65.7 | -46.2 | 0 | 0 | 0 | 111.5 | N730 Y771 T772 E773 R778 I779 | N730-H775 PolarHBondContact O-NE2 2.83Å; Y771-H775 PolarHBondContact O-CD2 2.94Å; Y771-H775 VanDerWaalsContact O-CG 3.31Å; Y771-H775 PolarHBondContact O-N 2.87Å; T772-H775 PolarHBondContact O-N 3.28Å; E773-H775 VanDerWaalsContact C-N 3.33Å; E773-H775 PolarHBondContact O-N 3.18Å; H775-R778 WeakPolarHBondContact O-CB 3.44Å; H775-R778 PolarHBondContact O-N 3.5Å; H775-I779 WeakPolarHBondContact O-CG1 3.39Å; H775-I779 PolarHBondContact O-N 2.74Å |
| 776 | M | 88.4 | Confident | 89.1 | Confident | 119 Ų | 119 | 90.1 Ų | 90.1 | 59% | 0.586 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.1 | -44.2 | 177.4 | -172.2 | 61.1 | -157.5 | 0 | 0 | 111.9 | T772 E773 R778 I779 G780 | T772-M776 WeakPolarHBondContact O-CB 3.29Å; T772-M776 PolarHBondContact O-N 3.5Å; E773-M776 PolarHBondContact O-N 3.06Å; E773-M776 VanDerWaalsContact O-N 3.14Å; M776-R778 VanDerWaalsContact C-N 3.28Å; M776-R778 PolarHBondContact O-N 2.91Å; M776-I779 PolarHBondContact O-N 2.88Å; M776-G780 PolarHBondContact O-N 2.96Å |
| 777 | E | 91.2 | Very high | 89.3 | Confident | 115 Ų | 115 | 90.6 Ų | 90.6 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.4 | -76.4 | -168.8 | -170 | 0 | 0 | 111.9 | E773 G780 R781 | E773-E777 PolarHBondContact O-N 2.91Å; E777-G780 PolarHBondContact O-N 3.47Å; E777-R781 WeakPolarHBondContact O-CG 3.29Å; E777-R781 PolarHBondContact O-N 3.28Å; E777-R781 IonicContact OE2-CZ 4Å; E777-R781 IonicContact OE2-NH2 2.92Å; E777-R781 PolarHBondContact OE2-NH2 2.72Å |
| 778 | R | 88.3 | Confident | 89.6 | Confident | 142 Ų | 142 | 95.2 Ų | 95.2 | 54% | 0.536 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.3 | -175.9 | -178 | 177.1 | -165.8 | -1.5 | 111.3 | R774 H775 M776 R781 L782 | R774-R778 PolarHBondContact O-N 3.29Å; H775-R778 WeakPolarHBondContact O-CB 3.44Å; H775-R778 PolarHBondContact O-N 3.5Å; M776-R778 VanDerWaalsContact C-N 3.28Å; M776-R778 PolarHBondContact O-N 2.91Å; R778-R781 PolarHBondContact O-N 3.05Å; R778-L782 WeakPolarHBondContact O-CG 3.15Å; R778-L782 PolarHBondContact O-N 3.26Å; R778-L782 VanDerWaalsContact O-N 3.13Å |
| 779 | I | 88.1 | Confident | 89.7 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.3 | -68.3 | 168.8 | 0 | 0 | 0 | 110.5 | H775 M776 R781 L782 Q783 | H775-I779 WeakPolarHBondContact O-CG1 3.39Å; H775-I779 PolarHBondContact O-N 2.74Å; M776-I779 PolarHBondContact O-N 2.88Å; I779-R781 PolarHBondContact O-N 3.46Å; I779-L782 CarbonylContact O-C 3.51Å; I779-L782 WeakPolarHBondContact O-CB 3.29Å; I779-L782 PolarHBondContact O-N 2.76Å; I779-L782 VanDerWaalsContact O-N 3.12Å; I779-Q783 PolarHBondContact O-N 2.8Å |
| 780 | G | 91.7 | Very high | 89.6 | Confident | 19 Ų | 19 | 100.2 Ų | 100.2 | 20% | 0.196 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M776 E777 L782 Q783 Q784 | M776-G780 PolarHBondContact O-N 2.96Å; E777-G780 PolarHBondContact O-N 3.47Å; G780-L782 VanDerWaalsContact C-N 3.34Å; G780-L782 PolarHBondContact O-N 2.89Å; G780-Q783 PolarHBondContact O-N 3.3Å; G780-Q784 WeakPolarHBondContact O-CG 3.31Å; G780-Q784 PolarHBondContact O-N 3.34Å |
| 781 | R | 91.9 | Very high | 89.4 | Confident | 162 Ų | 162 | 102.4 Ų | 102.4 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 174 | -67.8 | 177.3 | -153.7 | 177.4 | 7.9 | 112 | E777 R778 I779 Q784 A785 | E777-R781 WeakPolarHBondContact O-CG 3.29Å; E777-R781 PolarHBondContact O-N 3.28Å; E777-R781 IonicContact OE2-CZ 4Å; E777-R781 IonicContact OE2-NH2 2.92Å; E777-R781 PolarHBondContact OE2-NH2 2.72Å; R778-R781 PolarHBondContact O-N 3.05Å; I779-R781 PolarHBondContact O-N 3.46Å; R781-Q784 PolarHBondContact O-N 2.87Å; R781-A785 WeakPolarHBondContact O-CB 3.49Å; R781-A785 PolarHBondContact O-N 3.01Å |
| 782 | L | 89.9 | Confident | 89.2 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 175.4 | -72.7 | 172 | 0 | 0 | 0 | 112.3 | R778 I779 G780 A785 S786 | R778-L782 WeakPolarHBondContact O-CG 3.15Å; R778-L782 PolarHBondContact O-N 3.26Å; R778-L782 VanDerWaalsContact O-N 3.13Å; I779-L782 CarbonylContact O-C 3.51Å; I779-L782 WeakPolarHBondContact O-CB 3.29Å; I779-L782 PolarHBondContact O-N 2.76Å; I779-L782 VanDerWaalsContact O-N 3.12Å; G780-L782 VanDerWaalsContact C-N 3.34Å; G780-L782 PolarHBondContact O-N 2.89Å; L782-A785 PolarHBondContact O-N 2.81Å; L782-S786 PolarHBondContact O-N 3.15Å |
| 783 | Q | 90.2 | Very high | 89.2 | Confident | 128 Ų | 128 | 108 Ų | 108 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -42.7 | 175.6 | -171.4 | 179.2 | 2.2 | 0 | 0 | 111.3 | I779 G780 A785 S786 M787 | I779-Q783 PolarHBondContact O-N 2.8Å; G780-Q783 PolarHBondContact O-N 3.3Å; Q783-A785 VanDerWaalsContact C-N 3.31Å; Q783-A785 PolarHBondContact O-N 2.92Å; Q783-S786 WeakPolarHBondContact O-CB 3.26Å; Q783-S786 PolarHBondContact O-N 3.4Å; Q783-S786 VanDerWaalsContact O-N 3.11Å; Q783-M787 WeakPolarHBondContact O-CG 3.06Å; Q783-M787 PolarHBondContact O-N 2.84Å |
| 784 | Q | 89.8 | Confident | 88.8 | Confident | 144 Ų | 144 | 108.4 Ų | 108.4 | 67% | 0.673 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 172.8 | -71.8 | 174.2 | -4.6 | 0 | 0 | 111.6 | G780 R781 S786 M787 | G780-Q784 WeakPolarHBondContact O-CG 3.31Å; G780-Q784 PolarHBondContact O-N 3.34Å; R781-Q784 PolarHBondContact O-N 2.87Å; Q784-S786 VanDerWaalsContact C-N 3.33Å; Q784-S786 PolarHBondContact O-N 2.91Å; Q784-M787 WeakPolarHBondContact O-CB 3.22Å; Q784-M787 PolarHBondContact O-N 3.02Å |
| 785 | A | 90.8 | Very high | 88.2 | Confident | 62 Ų | 62 | 105.5 Ų | 105.5 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R781 L782 Q783 M787 F788 | R781-A785 WeakPolarHBondContact O-CB 3.49Å; R781-A785 PolarHBondContact O-N 3.01Å; L782-A785 PolarHBondContact O-N 2.81Å; Q783-A785 VanDerWaalsContact C-N 3.31Å; Q783-A785 PolarHBondContact O-N 2.92Å; A785-M787 VanDerWaalsContact C-N 3.33Å; A785-M787 PolarHBondContact O-N 2.84Å; A785-F788 WeakPolarHBondContact O-CB 3.17Å; A785-F788 PolarHBondContact O-N 2.7Å |
| 786 | S | 93.3 | Very high | 87.8 | Confident | 61 Ų | 61 | 110.6 Ų | 110.6 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -34.3 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | L782 Q783 Q784 F788 L789 N790 | L782-S786 PolarHBondContact O-N 3.15Å; Q783-S786 WeakPolarHBondContact O-CB 3.26Å; Q783-S786 PolarHBondContact O-N 3.4Å; Q783-S786 VanDerWaalsContact O-N 3.11Å; Q784-S786 VanDerWaalsContact C-N 3.33Å; Q784-S786 PolarHBondContact O-N 2.91Å; S786-F788 PolarHBondContact O-N 2.9Å; S786-F788 VanDerWaalsContact O-N 3.13Å; S786-L789 WeakPolarHBondContact O-CB 3.17Å; S786-L789 PolarHBondContact O-N 3.35Å; S786-N790 PolarHBondContact O-N 3.07Å |
| 787 | M | 88.7 | Confident | 86.9 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -23.6 | 175 | -68.4 | -67.4 | -80.7 | 0 | 0 | 112.8 | Q783 Q784 A785 L789 N790 Y791 | Q783-M787 WeakPolarHBondContact O-CG 3.06Å; Q783-M787 PolarHBondContact O-N 2.84Å; Q784-M787 WeakPolarHBondContact O-CB 3.22Å; Q784-M787 PolarHBondContact O-N 3.02Å; A785-M787 VanDerWaalsContact C-N 3.33Å; A785-M787 PolarHBondContact O-N 2.84Å; M787-L789 VanDerWaalsContact C-N 3.31Å; M787-L789 PolarHBondContact O-N 3.22Å; M787-N790 WeakPolarHBondContact O-CB 3.15Å; M787-N790 PolarHBondContact O-N 3.48Å; M787-Y791 PolarHBondContact O-N 3.46Å |
| 788 | F | 90 | Very high | 85.4 | Confident | 126 Ų | 126 | 113.1 Ų | 113.1 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -34.8 | 171.5 | -175.2 | -104.3 | 0 | 0 | 0 | 112.6 | A785 S786 Y791 M792 | A785-F788 WeakPolarHBondContact O-CB 3.17Å; A785-F788 PolarHBondContact O-N 2.7Å; S786-F788 PolarHBondContact O-N 2.9Å; S786-F788 VanDerWaalsContact O-N 3.13Å; F788-Y791 HydrophobicContact CD2-CD1 4.45Å; F788-Y791 HydrophobicContact CE2-CD1 4.39Å; F788-Y791 WeakPolarHBondContact O-CB 3.45Å; F788-Y791 PolarHBondContact O-N 3.41Å; F788-M792 HydrophobicContact CD1-CG 4.27Å; F788-M792 HydrophobicContact CD1-SD 3.89Å; F788-M792 HydrophobicContact CE1-CG 3.9Å; F788-M792 HydrophobicContact CE1-SD 3.4Å; F788-M792 WeakPolarHBondContact CE1-SD 3.35Å; F788-M792 HydrophobicContact CZ-CG 4.18Å; F788-M792 HydrophobicContact CZ-SD 4.13Å; F788-M792 WeakPolarHBondContact O-CB 3.46Å; F788-M792 WeakPolarHBondContact O-CG 3.3Å; F788-M792 PolarHBondContact O-N 3.38Å |
| 789 | L | 88.8 | Confident | 83.8 | Confident | 110 Ų | 110 | 110.9 Ų | 110.9 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 172.8 | -83.8 | 133.5 | 0 | 0 | 0 | 111.5 | S786 M787 Y791 M792 W793 | S786-L789 WeakPolarHBondContact O-CB 3.17Å; S786-L789 PolarHBondContact O-N 3.35Å; M787-L789 VanDerWaalsContact C-N 3.31Å; M787-L789 PolarHBondContact O-N 3.22Å; L789-Y791 VanDerWaalsContact C-N 3.33Å; L789-M792 WeakPolarHBondContact O-CB 3.23Å; L789-M792 PolarHBondContact O-N 3.11Å; L789-W793 WeakPolarHBondContact O-CB 2.97Å; L789-W793 PolarHBondContact O-N 2.87Å |
| 790 | N | 86.2 | Confident | 82.1 | Confident | 88 Ų | 88 | 110.2 Ų | 110.2 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -41.4 | 174 | -75.8 | -28.4 | 0 | 0 | 0 | 111.4 | S786 M787 W793 Q794 | S786-N790 PolarHBondContact O-N 3.07Å; M787-N790 WeakPolarHBondContact O-CB 3.15Å; M787-N790 PolarHBondContact O-N 3.48Å; N790-W793 PolarHBondContact O-N 2.91Å; N790-Q794 VanDerWaalsContact O-CB 3.3Å; N790-Q794 WeakPolarHBondContact O-CB 3.08Å; N790-Q794 PolarHBondContact O-N 3.22Å |
| 791 | Y | 86.1 | Confident | 79.9 | Confident | 124 Ų | 124 | 113.2 Ų | 113.2 | 49% | 0.486 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.9 | -46.9 | 173.4 | 175.8 | -96.4 | 0 | 0 | 0 | 111.6 | M787 F788 L789 W793 Q794 K795 | M787-Y791 PolarHBondContact O-N 3.46Å; F788-Y791 HydrophobicContact CD2-CD1 4.45Å; F788-Y791 HydrophobicContact CE2-CD1 4.39Å; F788-Y791 WeakPolarHBondContact O-CB 3.45Å; F788-Y791 PolarHBondContact O-N 3.41Å; L789-Y791 VanDerWaalsContact C-N 3.33Å; Y791-W793 PolarHBondContact O-N 2.81Å; Y791-Q794 PolarHBondContact O-N 3.4Å; Y791-K795 HydrophobicContact CD1-CG 4.35Å; Y791-K795 HydrophobicContact CE1-CG 3.93Å; Y791-K795 HydrophobicContact CE2-CG 4.3Å; Y791-K795 VanDerWaalsContact CZ-CE 3.46Å; Y791-K795 WeakPolarHBondContact O-CG 3.4Å; Y791-K795 PolarHBondContact O-N 2.92Å; Y791-K795 WeakPolarHBondContact OH-CE 3.43Å |
| 792 | M | 85.6 | Confident | 77.5 | Confident | 73 Ų | 73 | 110.9 Ų | 110.9 | 36% | 0.36 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.3 | -46.8 | 174.7 | -82 | -178.4 | 28.8 | 0 | 0 | 111.9 | F788 L789 Q794 K795 M796 | F788-M792 HydrophobicContact CD1-CG 4.27Å; F788-M792 HydrophobicContact CD1-SD 3.89Å; F788-M792 HydrophobicContact CE1-CG 3.9Å; F788-M792 HydrophobicContact CE1-SD 3.4Å; F788-M792 WeakPolarHBondContact CE1-SD 3.35Å; F788-M792 HydrophobicContact CZ-CG 4.18Å; F788-M792 HydrophobicContact CZ-SD 4.13Å; F788-M792 WeakPolarHBondContact O-CB 3.46Å; F788-M792 WeakPolarHBondContact O-CG 3.3Å; F788-M792 PolarHBondContact O-N 3.38Å; L789-M792 WeakPolarHBondContact O-CB 3.23Å; L789-M792 PolarHBondContact O-N 3.11Å; M792-Q794 VanDerWaalsContact C-N 3.31Å; M792-Q794 PolarHBondContact O-N 3.3Å; M792-K795 PolarHBondContact O-N 3.42Å; M792-M796 HydrophobicContact CE-CE 4.23Å; M792-M796 WeakPolarHBondContact O-CG 3.34Å; M792-M796 PolarHBondContact O-N 2.82Å |
| 793 | W | 86.8 | Confident | 75 | Confident | 172 Ų | 172 | 112 Ų | 112 | 65% | 0.652 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.2 | -44.7 | 176.6 | 177.3 | -104.5 | 0 | 0 | 0 | 111.6 | L789 N790 Y791 K795 M796 R797 | L789-W793 WeakPolarHBondContact O-CB 2.97Å; L789-W793 PolarHBondContact O-N 2.87Å; N790-W793 PolarHBondContact O-N 2.91Å; Y791-W793 PolarHBondContact O-N 2.81Å; W793-K795 PolarHBondContact O-N 2.7Å; W793-M796 PolarHBondContact O-N 3.24Å; W793-R797 PolarHBondContact O-N 3.12Å |
| 794 | Q | 82.9 | Confident | 72.3 | Confident | 127 Ų | 127 | 109.5 Ų | 109.5 | 59% | 0.593 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -38 | 178.9 | -164.1 | 167.6 | 2.2 | 0 | 0 | 111.7 | N790 Y791 M792 R797 V798 | N790-Q794 VanDerWaalsContact O-CB 3.3Å; N790-Q794 WeakPolarHBondContact O-CB 3.08Å; N790-Q794 PolarHBondContact O-N 3.22Å; Y791-Q794 PolarHBondContact O-N 3.4Å; M792-Q794 VanDerWaalsContact C-N 3.31Å; M792-Q794 PolarHBondContact O-N 3.3Å; Q794-R797 WeakPolarHBondContact O-CB 3.33Å; Q794-R797 PolarHBondContact O-N 3.02Å; Q794-V798 VanDerWaalsContact O-CG2 3.3Å; Q794-V798 WeakPolarHBondContact O-CG2 3.35Å; Q794-V798 PolarHBondContact O-N 2.9Å |
| 795 | K | 77.5 | Confident | 69.5 | Low | 117 Ų | 117 | 111.6 Ų | 111.6 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.9 | -37 | 173.1 | -72.6 | -65.3 | -174 | -178.1 | 0 | 112.8 | Y791 M792 W793 R797 V798 A799 | Y791-K795 HydrophobicContact CD1-CG 4.35Å; Y791-K795 HydrophobicContact CE1-CG 3.93Å; Y791-K795 HydrophobicContact CE2-CG 4.3Å; Y791-K795 VanDerWaalsContact CZ-CE 3.46Å; Y791-K795 WeakPolarHBondContact O-CG 3.4Å; Y791-K795 PolarHBondContact O-N 2.92Å; Y791-K795 WeakPolarHBondContact OH-CE 3.43Å; M792-K795 PolarHBondContact O-N 3.42Å; W793-K795 PolarHBondContact O-N 2.7Å; K795-R797 VanDerWaalsContact C-N 3.28Å; K795-R797 PolarHBondContact O-N 2.83Å; K795-V798 PolarHBondContact O-N 3.36Å; K795-A799 PolarHBondContact O-N 3.22Å |
| 796 | M | 78.6 | Confident | 66.9 | Low | 129 Ų | 129 | 117.6 Ų | 117.6 | 64% | 0.635 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.6 | -33.9 | 170.7 | -69.3 | -176.8 | -166.4 | 0 | 0 | 112 | M792 W793 | M792-M796 HydrophobicContact CE-CE 4.23Å; M792-M796 WeakPolarHBondContact O-CG 3.34Å; M792-M796 PolarHBondContact O-N 2.82Å; W793-M796 PolarHBondContact O-N 3.24Å |
| 797 | R | 69.6 | Low | 64.1 | Low | 195 Ų | 195 | 123.6 Ų | 123.6 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -72.5 | -33.8 | 176.4 | -153.3 | 176.9 | 178.4 | -168.9 | -1.1 | 112.9 | W793 Q794 K795 A799 G800 | W793-R797 PolarHBondContact O-N 3.12Å; Q794-R797 WeakPolarHBondContact O-CB 3.33Å; Q794-R797 PolarHBondContact O-N 3.02Å; K795-R797 VanDerWaalsContact C-N 3.28Å; K795-R797 PolarHBondContact O-N 2.83Å; R797-A799 VanDerWaalsContact C-N 3.34Å; R797-G800 PolarHBondContact O-N 3.13Å |
| 798 | V | 58.6 | Low | 61.8 | Low | 93 Ų | 93 | 125.1 Ų | 125.1 | 56% | 0.564 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75 | -20.2 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 112.7 | Q794 K795 G800 A801 | Q794-V798 VanDerWaalsContact O-CG2 3.3Å; Q794-V798 WeakPolarHBondContact O-CG2 3.35Å; Q794-V798 PolarHBondContact O-N 2.9Å; K795-V798 PolarHBondContact O-N 3.36Å; V798-G800 PolarHBondContact O-N 3.49Å; V798-A801 PolarHBondContact O-N 3.01Å |
| 799 | A | 56 | Low | 59.3 | Low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -9.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K795 R797 | K795-A799 PolarHBondContact O-N 3.22Å; R797-A799 VanDerWaalsContact C-N 3.34Å |
| 800 | G | 51.9 | Low | 56.8 | Low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -3.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R797 V798 | R797-G800 PolarHBondContact O-N 3.13Å; V798-G800 PolarHBondContact O-N 3.49Å |
| 801 | A | 44.3 | Very low | 54.6 | Low | 82 Ų | 82 | 133.7 Ų | 133.7 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -145.2 | 105.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V798 | V798-A801 PolarHBondContact O-N 3.01Š| ||
| 802 | S | 41.3 | Very low | 51.9 | Low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -131.3 | 140.3 | 163 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 803 | S | 38 | Very low | 50.1 | Low | 130 Ų | 130 | 136.4 Ų | 136.4 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | 91.2 | 104.7 | 174.9 | 76.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 804 | G | 33.2 | Very low | 47.3 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 158.2 | 75.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 805 | M | 32.5 | Very low | 45.5 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 93% | 0.931 | 76% | 0.757 | S | S | * | * | trans | 73.8 | 105.9 | 160.7 | -67.4 | 175.1 | 168.5 | 0 | 0 | 119 | Q807 | M805-Q807 PolarHBondContact O-N 3.14Š| ||
| 806 | E | 35.1 | Very low | 43.1 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 118.5 | 144.6 | -71.3 | 167.7 | 164.1 | 0 | 0 | 108.5 | ||||
| 807 | Q | 33.9 | Very low | 40.7 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -109.7 | 114.1 | 142.9 | -91.3 | -178.4 | -15.7 | 0 | 0 | 105.4 | M805 E809 | M805-Q807 PolarHBondContact O-N 3.14Å; Q807-E809 PolarHBondContact O-N 2.61Å | ||
| 808 | D | 41 | Very low | 39.4 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -53.7 | 119.9 | 163.3 | -70.6 | -44.6 | 0 | 0 | 0 | 109 | ||||
| 809 | E | 37 | Very low | 38.1 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -117.1 | 107.8 | 144.2 | -80.8 | -168.6 | 165.7 | 0 | 0 | 106.5 | Q807 M811 | Q807-E809 PolarHBondContact O-N 2.61Å; E809-M811 PolarHBondContact O-N 3.4Å | ||
| 810 | D | 36.8 | Very low | 36.5 | Very low | 143 Ų | 143 | 134 Ų | 134 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -43.5 | 131.8 | 168.9 | -67.1 | -56 | 0 | 0 | 0 | 111.4 | ||||
| 811 | M | 39.4 | Very low | 35.2 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | trans | -144.7 | 89.7 | 142.8 | -95 | -59.3 | -78.1 | 0 | 0 | 108.5 | E809 | E809-M811 PolarHBondContact O-N 3.4Š| ||
| 812 | D | 29 | Very low | 34.2 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 60% | 0.599 | 80% | 0.801 | S | S | * | * | 26.2 | 104.8 | 126.1 | -78.1 | -33.9 | 0 | 0 | 0 | 116.1 | T814 | D812-T814 VanDerWaalsContact C-N 3.25Å; D812-T814 PolarHBondContact O-N 3.23Å | |||
| 813 | T | 48.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | -64.2 | 97.4 | 127 | 42.9 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 814 | T | 28 | Very low | 32.8 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | -126 | 138.8 | 147.1 | 40.3 | 0 | 0 | 0 | 0 | 113.1 | D812 | D812-T814 VanDerWaalsContact C-N 3.25Å; D812-T814 PolarHBondContact O-N 3.23Å | ||
| 815 | P | 46.1 | Very low | 32.7 | Very low | 107 Ų | 107 | 150 Ų | 150 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -108.1 | -159.2 | -166.7 | 18.5 | 9.7 | 0 | 0 | 0 | 107.6 | ||||
| 816 | L | 27.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 86.1 | 98.3 | 171.9 | -55.8 | 149.6 | 0 | 0 | 0 | 114.6 | ||||
| 817 | A | 26.9 | Very low | 32 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 171.5 | 88.9 | 111.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 818 | Q | 43 | Very low | 31.7 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | -45.5 | 133.8 | 104.3 | -72.3 | -173.9 | -17.4 | 0 | 0 | 112.3 | |||||
| 819 | P | 31.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | -143.6 | 128.6 | 112.2 | 28.3 | -8.8 | 0 | 0 | 0 | 109.8 | |||||
| 820 | S | 22.1 | Very low | 30.4 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | 175.7 | 117.7 | 81.1 | 32.4 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 821 | F | 23.6 | Very low | 29.8 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 38.8 | 115.2 | 99 | -84.8 | -88.1 | 0 | 0 | 0 | 112.9 | L823 | F821-L823 HydrophobicContact CD1-CD1 4.33Å; F821-L823 HydrophobicContact CE1-CD1 4.05Å | |||
| 822 | F | 23.9 | Very low | 29 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | -145.5 | 150.3 | 80.3 | -109.1 | -93 | 0 | 0 | 0 | 115.7 | |||||
| 823 | L | 27 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 62% | 0.623 | 79% | 0.786 | S | S | * | * | trans | -65.8 | 147.9 | 165 | -91.2 | 113.6 | 0 | 0 | 0 | 113.2 | F821 | F821-L823 HydrophobicContact CD1-CD1 4.33Å; F821-L823 HydrophobicContact CE1-CD1 4.05Å | ||
| 824 | D | 24 | Very low | 27.7 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | -154.9 | 123.5 | 108.6 | -102.3 | -23.1 | 0 | 0 | 0 | 107.9 | |||||
| 825 | K | 30.3 | Very low | 27.6 | Very low | 172 Ų | 172 | 145.3 Ų | 145.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 58 | 123.2 | 97.3 | -98 | -174.7 | 177.5 | -175.8 | 0 | 112.9 | |||||
| 826 | E | 27.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | cis | -156 | 150.4 | 34.8 | -79.3 | -176.9 | 146.9 | 0 | 0 | 113.5 | ||||
| 827 | N | 26.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 39.8 | 142.5 | 137.2 | -63.8 | -16.8 | 0 | 0 | 0 | 122.3 | ||||
| 828 | A | 26.5 | Very low | 26.6 | Very low | 97 Ų | 97 | 155.7 Ų | 155.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | -155.2 | 140 | 21.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 829 | R | 25.1 | Very low | 25.8 | Very low | 246 Ų | 246 | 150.3 Ų | 150.3 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -80.9 | 154.4 | 155.5 | -84.8 | -179.1 | 173.8 | 176.6 | -2.5 | 109.5 | ||||
| 830 | G | 25.9 | Very low | 25.6 | Very low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -59.9 | 164.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 831 | G | 23.4 | Very low | 25.9 | Very low | 78 Ų | 78 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -120.4 | 106.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 832 | T | 22.6 | Very low | 26 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -139.7 | 107.5 | 148 | 48.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 833 | D | 24.4 | Very low | 26.2 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 172.8 | 120.7 | 131.1 | -94.2 | -12.8 | 0 | 0 | 0 | 109.6 | ||||
| 834 | E | 26 | Very low | 26.2 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -177.2 | 105.7 | 131.1 | -110.3 | -166.1 | -146.5 | 0 | 0 | 109.8 | ||||
| 835 | R | 25.3 | Very low | 26.2 | Very low | 217 Ų | 217 | 152.6 Ų | 152.6 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | 159 | 119.8 | 109.9 | -88.9 | 164.1 | -168.7 | -157.8 | 0.6 | 111.7 | D837 | R835-D837 PolarHBondContact O-N 3.13Š| |||
| 836 | E | 24.8 | Very low | 26.1 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -58.2 | 124.5 | 147.3 | -65.3 | 179.2 | 151 | 0 | 0 | 108.7 | ||||
| 837 | D | 27 | Very low | 26 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | -152.4 | 153.2 | 127.9 | -143 | -11.2 | 0 | 0 | 0 | 110.6 | R835 | R835-D837 PolarHBondContact O-N 3.13Š| |||
| 838 | R | 28.6 | Very low | 25.8 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -59.6 | 151.3 | -161.6 | -62.2 | 151.1 | 171.4 | -165.7 | -3.1 | 115.4 | ||||
| 839 | G | 26.5 | Very low | 25.7 | Very low | 81 Ų | 81 | 154.3 Ų | 154.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -179.4 | 114.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 840 | D | 28 | Very low | 25.6 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -74.8 | 163.8 | -173.5 | -160.2 | 10.9 | 0 | 0 | 0 | 114.3 | ||||
| 841 | D | 27.8 | Very low | 25.5 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 70.5 | 131.8 | 154.6 | -79.7 | -30.2 | 0 | 0 | 0 | 123.5 | ||||
| 842 | G | 26.2 | Very low | 25.5 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | 119.6 | 95.1 | 116.2 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 843 | D | 27.6 | Very low | 25.6 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 48.1 | 123.1 | 138.3 | -97 | -22.4 | 0 | 0 | 0 | 123.7 | ||||
| 844 | R | 26.1 | Very low | 25.7 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | 45.5 | 144.6 | 125.5 | -75.7 | -178.6 | 174.2 | -179.2 | 1.2 | 123.3 | |||||
| 845 | Q | 25.1 | Very low | 25.7 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 87.2 | 119.3 | 162.5 | -67.4 | 170.5 | -6.8 | 0 | 0 | 115.2 | ||||
| 846 | Q | 26.6 | Very low | 25.7 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | 76 | 122.6 | 59.3 | -148.1 | -178.1 | -2.6 | 0 | 0 | 112.8 | |||||
| 847 | E | 25.8 | Very low | 25.8 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | 80.3 | 141.3 | 151.4 | -90.6 | 158.3 | -143 | 0 | 0 | 122.4 | ||||
| 848 | E | 23.1 | Very low | 25.9 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 71.5 | 154.1 | 148.3 | -74.2 | -173 | -173.1 | 0 | 0 | 119.1 | ||||
| 849 | E | 24.9 | Very low | 25.9 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -175.7 | 153.3 | -24.9 | -154.8 | -176 | -154.1 | 0 | 0 | 103.9 | ||||
| 850 | S | 22.9 | Very low | 26 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 73.6 | 149.2 | 146.9 | 81.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 851 | G | 23.1 | Very low | 26 | Very low | 66 Ų | 66 | 146.2 Ų | 146.2 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | 116.7 | 77.1 | 158 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 852 | S | 23.3 | Very low | 25.9 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 68.8 | 140 | 81.4 | 74.1 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 853 | E | 24.9 | Very low | 25.9 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 99.4 | 98.6 | 161 | -58.2 | -169.1 | 170.3 | 0 | 0 | 117.5 | ||||
| 854 | V | 26.1 | Very low | 25.7 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | 91.1 | 119.3 | 78.3 | 167.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 855 | K | 26.4 | Very low | 25.7 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | -163.5 | 130.9 | 127.6 | -105.8 | 179.5 | -176.1 | -173 | 0 | 111.4 | |||||
| 856 | D | 25.6 | Very low | 25.7 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -73.6 | 159.1 | -179.1 | -57.7 | -64.4 | 0 | 0 | 0 | 114.2 | ||||
| 857 | E | 26.7 | Very low | 25.6 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | -178.2 | 102.9 | 125.2 | -94.9 | 174.9 | -165 | 0 | 0 | 105.2 | |||||
| 858 | E | 29.3 | Very low | 25.5 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | 52.4 | 127.3 | 92.1 | -81.8 | -172.1 | -176.7 | 0 | 0 | 112.4 | |||||
| 859 | E | 27.2 | Very low | 25.5 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | cis | -151.4 | 132.2 | 24.3 | -107.6 | 178.6 | 170.7 | 0 | 0 | 106.6 | ||||
| 860 | A | 28.6 | Very low | 25.4 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | 79.5 | 140.2 | 92.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 861 | E | 28.7 | Very low | 25.5 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | 179.3 | 163.3 | 3.6 | -114.4 | -173.7 | 177.6 | 0 | 0 | 102.7 | ||||
| 862 | E | 25.8 | Very low | 25.5 | Very low | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | cis | -158 | 136.3 | 13 | -111.4 | -174.5 | 148.6 | 0 | 0 | 103.3 | ||||
| 863 | I | 26.1 | Very low | 25.6 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | 60.4 | 116.7 | 68.6 | -49.8 | 164.5 | 0 | 0 | 0 | 110.6 | |||||
| 864 | S | 24.3 | Very low | 25.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | 177 | 130.4 | 83.5 | 47.6 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 865 | A | 26.3 | Very low | 25.5 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | cis | 50.3 | 115.1 | 38.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 866 | S | 24.6 | Very low | 25.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 151 | 128.7 | 114.1 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 867 | K | 24.8 | Very low | 25.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | 80.6 | 149.8 | 102.1 | -74.9 | -179.8 | -177.6 | 163.4 | 0 | 111.4 | |||||
| 868 | K | 22.9 | Very low | 25.4 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | cis | -169 | 139.9 | 7 | -118.2 | 173.2 | 179.3 | -173.5 | 0 | 104.3 | ||||
| 869 | A | 22.8 | Very low | 25.2 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | 84.8 | 125.3 | 104.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 870 | S | 23.3 | Very low | 25.2 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | 74.3 | 123.3 | 130.6 | 68.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 871 | A | 25.2 | Very low | 25.1 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | 112.6 | 123.6 | 122 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 872 | N | 23.3 | Very low | 24.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | 61.6 | 121.8 | 148.5 | -62.9 | -9.1 | 0 | 0 | 0 | 119.9 | ||||
| 873 | D | 23.8 | Very low | 24.9 | Very low | 167 Ų | 167 | 130 Ų | 130 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | -166.2 | 157.6 | 94.9 | -136.7 | -17.4 | 0 | 0 | 0 | 113.2 | |||||
| 874 | A | 24.8 | Very low | 24.8 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | trans | -73.9 | 154.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 875 | R | 24.2 | Very low | 24.8 | Very low | 231 Ų | 231 | 137.1 Ų | 137.1 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | 177.8 | 121.9 | 114 | -101.3 | 174.3 | 174 | 172.4 | -0.2 | 113.7 | |||||
| 876 | E | 24.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | 56 | 113 | 129.1 | -73.3 | -158.3 | 149.1 | 0 | 0 | 121.3 | |||||
| 877 | K | 26.5 | Very low | 24.6 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | 108.8 | 113.2 | 113.6 | -84.4 | 176 | -177.6 | 143.4 | 0 | 117.2 | |||||
| 878 | K | 25.8 | Very low | 24.6 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | 73.2 | 129.7 | 132.8 | -67.8 | -178.1 | 174.5 | -168.8 | 0 | 115.4 | ||||
| 879 | G | 26.6 | Very low | 24.6 | Very low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | cis | 169 | 129.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 880 | E | 26.7 | Very low | 24.7 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | 85.1 | 128.4 | 109.3 | -72.6 | -166.1 | 158.4 | 0 | 0 | 110.6 | |||||
| 881 | T | 26.6 | Very low | 24.7 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | cis | -173.1 | 147.6 | 22.1 | 12.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 882 | N | 25 | Very low | 24.7 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 54.3 | 133.6 | 135.4 | -61.9 | -13.3 | 0 | 0 | 0 | 119.5 | ||||
| 883 | G | 25.4 | Very low | 24.7 | Very low | 64 Ų | 64 | 143.4 Ų | 143.4 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | cis | 155.4 | 159 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 884 | R | 23.9 | Very low | 24.9 | Very low | 215 Ų | 215 | 143.9 Ų | 143.9 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | 40.3 | 130.3 | 142.1 | -84 | -177.7 | 169.6 | 173.2 | -0.9 | 116.9 | ||||
| 885 | R | 23.1 | Very low | 24.9 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | 172.1 | 149.8 | 50.4 | -127 | 167.7 | -173.8 | -175.4 | 1.6 | 107.3 | |||||
| 886 | Q | 24.5 | Very low | 25 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 61.2 | 150.3 | 140.1 | -80.4 | 169.3 | -34.4 | 0 | 0 | 117.5 | ||||
| 887 | S | 23.7 | Very low | 25 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | cis | 175.8 | 165.6 | -12.8 | 43.9 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 888 | E | 23.7 | Very low | 25.1 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 75.2 | 137.5 | 166.1 | -60.9 | 163.1 | -160.6 | 0 | 0 | 113.8 | ||||
| 889 | S | 23.4 | Very low | 25.1 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -171.9 | 132.3 | 10.4 | 40.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 890 | E | 23.9 | Very low | 25.1 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | 74.6 | 132.9 | 112.6 | -67.1 | -173.1 | 157.7 | 0 | 0 | 116.7 | |||||
| 891 | E | 24.2 | Very low | 25 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 69 | 120.1 | 159.6 | -63.1 | 174.2 | 176.1 | 0 | 0 | 116.4 | ||||
| 892 | S | 24.3 | Very low | 24.9 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | cis | -164.6 | 141.7 | 45.9 | 38.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 893 | S | 25.1 | Very low | 25 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -115.5 | 114.2 | 173.9 | 51 | 0 | 0 | 0 | 0 | 108 | ||||
| 894 | E | 26.3 | Very low | 25 | Very low | 177 Ų | 177 | 157 Ų | 157 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -140.5 | 102.2 | 161.7 | -70.1 | -174.8 | 168.9 | 0 | 0 | 105.5 | ||||
| 895 | E | 26.4 | Very low | 25.1 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | 80.9 | 88.8 | 109.4 | -71.7 | -174.8 | -176.2 | 0 | 0 | 112.7 | |||||
| 896 | E | 24.8 | Very low | 25.2 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 106.8 | 155 | -74.3 | -173.1 | 169.4 | 0 | 0 | 107.3 | ||||
| 897 | E | 25.9 | Very low | 25.2 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -122.9 | 125.4 | 156.5 | -81.2 | -165.3 | 170.6 | 0 | 0 | 109.3 | ||||
| 898 | E | 28.7 | Very low | 25.3 | Very low | 165 Ų | 165 | 159 Ų | 159 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | 44.1 | 123.2 | 142.2 | -55.8 | -172.2 | 160 | 0 | 0 | 120.2 | ||||
| 899 | D | 24.7 | Very low | 25.3 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | -175 | 120.7 | 100.6 | -98.1 | -26.5 | 0 | 0 | 0 | 113.1 | |||||
| 900 | D | 26.3 | Very low | 25.5 | Very low | 143 Ų | 143 | 159.6 Ų | 159.6 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | trans | -73.9 | 161 | 162.3 | -103.8 | -36.7 | 0 | 0 | 0 | 110.9 | ||||
| 901 | H | 25.3 | Very low | 25.7 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | trans | 81.5 | 98 | 167.2 | -60.2 | -54 | 0 | 0 | 0 | 119.4 | ||||
| 902 | V | 24.9 | Very low | 25.9 | Very low | 138 Ų | 138 | 155.6 Ų | 155.6 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -131.5 | 105.6 | 139.9 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | Q904 | V902-Q904 PolarHBondContact O-N 2.53Š| ||
| 903 | V | 26.5 | Very low | 26 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 114.7 | 163.7 | 173 | 0 | 0 | 0 | 0 | 108 | ||||
| 904 | Q | 26.2 | Very low | 26.1 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -93.7 | 106.6 | -178.8 | -140 | 177.8 | 19.3 | 0 | 0 | 110.8 | V902 M906 | V902-Q904 PolarHBondContact O-N 2.53Å; Q904-M906 PolarHBondContact O-N 3.41Å | ||
| 905 | V | 24.4 | Very low | 26.3 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 76% | 0.758 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 103.6 | 167.8 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | R907 | V905-R907 PolarHBondContact O-N 3.38Š| ||
| 906 | M | 25.7 | Very low | 26.3 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 77% | 0.768 | 81% | 0.812 | S | S | * | * | trans | -79 | 113.4 | 171.1 | -83.8 | -166.5 | 176.2 | 0 | 0 | 110.9 | Q904 | Q904-M906 PolarHBondContact O-N 3.41Š| ||
| 907 | R | 23.9 | Very low | 26.4 | Very low | 238 Ų | 238 | 153.4 Ų | 153.4 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | trans | -95.8 | 114.6 | 161.5 | -96.3 | -179.5 | 172.7 | 164.5 | -1.1 | 109.3 | V905 | V905-R907 PolarHBondContact O-N 3.38Š| ||
| 908 | N | 26.1 | Very low | 26.6 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 132.5 | 171.6 | -74.6 | -29.3 | 0 | 0 | 0 | 111.6 | ||||
| 909 | L | 24.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -139.5 | 156.6 | 160 | -83.1 | 177.3 | 0 | 0 | 0 | 110.5 | ||||
| 910 | P | 27.3 | Very low | 27 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 151 | -139.2 | 35.9 | -35.4 | 0 | 0 | 0 | 115.3 | ||
| 911 | I | 28.4 | Very low | 27.4 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 89% | 0.892 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124.5 | 177.9 | -63.5 | 166.4 | 0 | 0 | 0 | 110.4 | ||
| 912 | S | 27.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 131.9 | 177 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 913 | S | 27.2 | Very low | 27.6 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 85% | 0.849 | S | S | * | * | trans | -0.1 | 121.8 | 157.1 | 56.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 914 | A | 26.2 | Very low | 27.7 | Very low | 95 Ų | 95 | 154.9 Ų | 154.9 | 79% | 0.785 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 149.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 915 | P | 30.2 | Very low | 27.8 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 134.7 | 175 | 32.7 | -30 | 0 | 0 | 0 | 112.4 | ||
| 916 | R | 26.9 | Very low | 28 | Very low | 248 Ų | 248 | 156.3 Ų | 156.3 | 94% | 0.936 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 123.2 | 169.8 | -79.4 | 176.3 | 168.4 | 172.9 | -3.7 | 110.4 | ||
| 917 | L | 28.1 | Very low | 28.1 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 92% | 0.916 | 87% | 0.872 | S | S | * | * | trans | -89.7 | 115.8 | 163.6 | -91.7 | 154 | 0 | 0 | 0 | 109.4 | ||||
| 918 | Q | 28.9 | Very low | 28.4 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 87% | 0.87 | S | S | * | * | trans | -73.6 | 135.2 | 170.5 | -80.6 | 174.7 | -41.3 | 0 | 0 | 110.3 | ||||
| 919 | A | 29.2 | Very low | 28.6 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 84% | 0.835 | 88% | 0.876 | S | S | * | * | trans | -68.5 | 136.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 920 | L | 32.1 | Very low | 28.9 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 86% | 0.864 | 88% | 0.875 | S | S | * | * | trans | -136 | 126.9 | 161.1 | -88.1 | 166.2 | 0 | 0 | 0 | 109.2 | ||||
| 921 | S | 35.1 | Very low | 29.1 | Very low | 194 Ų | 194 | 152 Ų | 152 | 100% | 1.357 | 89% | 0.886 | S | S | * | * | trans | 60 | 0 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 118.8 |
Retrieved 921 of 921 residues in 582.7 ms
(Link to these results)